Carbon-24 -- Martirossyan et al.
Collection
New selections and splits from the Carbon-24 dataset as described in Martirossyan et al. (https://arxiv.org/abs/2509.12178) • 5 items • Updated
Datasets:
id string | hash string | last_modified timestamp[ns] | dataset_ids sequence | chemical_formula_hill string | chemical_formula_reduced string | chemical_formula_anonymous string | elements sequence | elements_ratios sequence | atomic_numbers sequence | nsites int32 | nelements int32 | nperiodic_dimensions int32 | cell sequence | dimension_types sequence | pbc sequence | names sequence | labels sequence | metadata_id string | metadata_path string | metadata_size int32 | structure_hash string | positions_00 sequence |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
CO_1069930728162191439934935 | 10699307281621914399349358918352920840881226234228986808510806183498590055717685287176651841318364444054607857149613802388058536298930904470789461866126722 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
4.216512069524036,
0,
-1.1224300379347163
],
[
-0.6667256506954107,
4.796198592245393,
-0.6432831336574031
],
[
0,
0,
6.739682758941502
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_0"
] | null | null | null | null | 2288886839955470257504677797458801256094667998661437951256772560100772225815477259448723865609547638451080491910389247326916807163547323656372660802596588 | [
[
1.60485987,
2.45539799,
2.73879339
],
[
1.67156344,
2.36967688,
1.17115356
],
[
1.41504963,
0.81453232,
5.88855838
],
[
0.1371553,
4.03531348,
3.54945015
],
[
0.03511926,
0.27284101,
3.41934991
],
[
2.77981025,
1.81987933,
... |
CO_9044167089125195156079912 | 9044167089125195156079912661075489735293007116450396435571029611847555617846582188879563156468341672909424752516586882124469147907098290041834709865278528 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.457256139677809,
0,
-0.3580146701124341
],
[
-1.5072742751516923,
6.932786797319557,
-1.7463718919248528
],
[
0,
0,
8.600615560026716
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_1"
] | null | null | null | null | 3238099383648392051914172374936386605548304583116339769524152999159206509491456459890698572541955215803543684227827413637365597115008438202622021547988615 | [
[
1.08833347,
6.04377932,
0.50208317
],
[
1.02086993,
0.2761702,
0.0493543
],
[
-0.39529399,
3.57713995,
7.58719351
],
[
1.20319646,
0.80571697,
1.31493667
],
[
-0.9546555,
6.62352377,
3.67972154
],
[
0.52954932,
3.98272982,
... |
CO_1394875605862426335443276 | 1394875605862426335443276336725535701705160979720796679543890638481613362842211419921290814675285952938088496290399361208554748766285392150758937193704589 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
4.8633001637850235,
0,
0.19177915248679214
],
[
2.2895722165223553,
5.04310897536336,
1.2552923607680102
],
[
0,
0,
5.964626153979227
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_2"
] | null | null | null | null | 1648680430395346908887352169243273380114272664951830861411036211574224221820543777405586470444709359123366227279682832747931275111287957332129745771419446 | [
[
3.49911634,
3.32150671,
1.00891798
],
[
5.40209398,
4.68384924,
6.35702095
],
[
5.56890627,
3.06579077,
2.5802853
],
[
4.39396882,
3.85406885,
3.10461556
],
[
4.26590385,
4.84973096,
5.3286364
],
[
3.89709743,
3.7681491,
4... |
CO_5685467216398799863514135 | 568546721639879986351413593761361429064668181578398053027889150241353978526781205833879288453062162162385941073444288424451228694075227583676632901526022 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4716607733286717,
0,
0.34447470747257025
],
[
0.3724944582520281,
7.476453127139307,
0.10522672537776936
],
[
0,
0,
7.76505
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_3"
] | null | null | null | null | 12463710921044102573452368836598516990707009444996480968135184564476660116623172375383213221634582919017909259463862086968410527398894015537610715187455546 | [
[
1.85070448,
7.1630195,
2.85221212
],
[
0.96381288,
5.1360848,
0.67802658
],
[
0.59243504,
6.30148777,
2.90338843
],
[
2.45201578,
6.29830863,
7.01237741
],
[
1.20732599,
2.05352097,
5.63239598
],
[
2.48426259,
4.78518151,
... |
CO_9287221103379840261054164 | 9287221103379840261054164576237889565108306158936402807188751552210556039968163409080160360047445426621475336899357004249102034114145150144528266767179691 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
4.730039979042455,
0,
-0.009736486021877539
],
[
-1.2674626504983766,
4.359002514661976,
-1.790383738856618
],
[
0,
0,
6.616713980319815
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_4"
] | null | null | null | null | 1705522503196697835843659782791435443517593729455649370132895083825514877759952200371889105930623592941517614727897497593576920018891614331450963621674790 | [
[
1.2283183,
0.3396754,
5.24553169
],
[
1.79777063,
0.67015122,
0.01659003
],
[
3.66430705,
1.22483795,
2.31001846
],
[
0.61210088,
2.67726818,
1.3285745
],
[
0.16564927,
1.18797936,
4.55394567
],
[
4.04229028,
0.74328765,
0... |
CO_3422078503329316499929210 | 3422078503329316499929210669553137259219495067889110482036458565606080614405263133992916641853380671444848564383127686016698237327396820707079610343430029 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
3.4213536788062084,
0,
-0.6177724718043228
],
[
-1.2531241495652452,
6.428357379736344,
-0.04520416957664889
],
[
0,
0,
7.467814016796529
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_5"
] | null | null | null | null | 6674989320672700504112318859799916525989163067805407303488300647638874967911131569473091849242657249612808782089997219475596944625214733107472894855491636 | [
[
1.88344448,
3.9573051,
4.75727213
],
[
2.33809861,
3.78108177,
1.83303003
],
[
1.42462088,
4.89558338,
2.67393076
],
[
0.04543342,
5.89044664,
5.9518924
],
[
1.95446718,
1.48242505,
2.06578025
],
[
1.62087077,
5.48781451,
... |
CO_1208798758664315016678658 | 12087987586643150166786580286009280423471566913968021741810744528493607839973366657306527157913178673591532001550710728733254198188806533424310541361215419 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.5012998937771522,
0,
0.0007289652997710231
],
[
1.2479869806878103,
7.085353842169865,
1.202712922888276
],
[
0,
0,
7.978854605009288
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_6"
] | null | null | null | null | 2180684294545354207749266350596930634091677619382881371428139999646812803148889893827217648987087684051056700349151433549446402908991945796040638992028102 | [
[
0.91160062,
4.64000863,
1.29506542
],
[
0.90407855,
4.11491029,
7.87195314
],
[
3.40035088,
5.83256841,
4.50038726
],
[
2.16228921,
6.02223972,
7.73371657
],
[
2.15060656,
5.46147874,
3.67939738
],
[
0.90719148,
1.50349295,
... |
CO_1060359136007249395563570 | 10603591360072493955635705623158096336854766339029820757424140421500522435015921626796408089783278800120634927219241971603049151104244996196738619614434340 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.492247102410864,
0,
-0.09792021969262088
],
[
-0.6581713876626418,
6.2700491918026575,
-2.5554243771974305
],
[
0,
0,
8.98213
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_7"
] | null | null | null | null | 5520165702775710621946858657838893345400459586282185938072863640128038037196078320580790265129684780291070934625182203410756546924303719989327756331210477 | [
[
2.12453879,
2.9805941,
4.39774684
],
[
-0.41449696,
5.45557977,
3.39265274
],
[
1.90230376,
0.59825944,
0.18124187
],
[
0.86771086,
4.87699455,
5.2382515
],
[
2.42018349,
0.60752651,
3.84243736
],
[
0.70726692,
4.58689029,
... |
CO_4355844923039975001718241 | 4355844923039975001718241205995196562121860517267260412591536424357016985686052920016415463343920224801919404667292279155705383536705434140090847797895276 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.5115973252631236,
0,
-0.1743274084334495
],
[
-1.3056869603352563,
6.202428784222662,
-1.7181023373710644
],
[
0,
0,
9.042580654002586
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_8"
] | null | null | null | null | 7888252073679870599354910555615351686287124057928703055022700042727516913473073129274355017186699989113301061141910802861197529414554346276304454071173678 | [
[
0.06201959,
2.42563096,
6.07178244
],
[
-1.0280146,
5.17668314,
0.50340477
],
[
0.31214865,
1.27531853,
5.23309785
],
[
-0.73357602,
6.13260581,
5.57547025
],
[
1.45748636,
3.6821064,
0.01875335
],
[
-0.80758378,
5.01326099,
... |
CO_1110412010611032853061867 | 11104120106110328530618673174406463117636057193539597337576552248039868367452812332542588166628315667235669040491896669467225979487978316543306526272376412 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4417335846933086,
0,
0.37669654336184677
],
[
0.8248401590335938,
6.979910135312611,
2.7398153776820084
],
[
0,
0,
8.08701
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_9"
] | null | null | null | null | 6164552103945518059851897680047734761561215928956024274254703807722140934578283675841493859546761496967346051256280830109575853229434965495273732451790025 | [
[
1.41413732,
3.03482814,
1.49673801
],
[
0.9189329,
0.37633079,
4.6438017
],
[
1.73871743,
1.13985402,
7.42681383
],
[
1.51343112,
1.62171553,
0.87896301
],
[
1.92141755,
2.10944708,
6.24348883
],
[
2.18519253,
4.71010262,
... |
CO_1214905083623520291426726 | 12149050836235202914267265817033535043303494880032676539693150123304714762249681985239813692893400521390796908918560843742995791844787867095682813500432862 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4824127422331097,
0,
-0.10083882584943017
],
[
-1.094430557851011,
7.551413091459343,
-0.37913636931623873
],
[
0,
0,
8.06618
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_10"
] | null | null | null | null | 2009273061682518135523018300167720790119636913409118019881379960830667526156861388388689349584703232826865532046935217908041006725173743403625396677835073 | [
[
1.15297866,
1.42700314,
3.10008709
],
[
1.17032664,
1.23085224,
4.5743344
],
[
1.19746992,
2.8371794,
2.74183221
],
[
-0.06582399,
5.14785766,
0.93896708
],
[
1.06854658,
0.46662341,
1.89796651
],
[
-0.0857384,
3.66213073,
... |
CO_1203355672986059560624836 | 12033556729860595606248365529853086758167815829014312334420488901415546825826598206187676586152525028084538301129018765387241021345326323994133822817335655 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.446979981814626,
0,
0.0002983261462381328
],
[
1.2163739219468654,
7.217324065173654,
1.72850748587835
],
[
0,
0,
9.10072296523631
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_11"
] | null | null | null | null | 6988371214154959844501280088982883800363544112976897581608365695375585999357741704721310681672646287011431426551830789444930636919012192534073272414878447 | [
[
0.26884012,
0.89794381,
1.45168694
],
[
2.71124154,
5.97863834,
7.95159406
],
[
2.70921525,
5.88853358,
9.47397423
],
[
1.48720872,
2.55609168,
9.28961166
],
[
1.48326125,
3.52015967,
6.98445461
],
[
1.49083194,
1.19478838,
... |
CO_8926306103528963324916886 | 8926306103528963324916886327243798758102874946394238973210944414836929736556918413728195527334895095312211901744438892404675467065031729056352658405252903 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.468569947819099,
0,
0.0005075671476088737
],
[
0.0024798105684960495,
6.51436082522332,
-1.3071262935913421
],
[
0,
0,
8.505252493300215
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_12"
] | null | null | null | null | 10549487570713029993959917220452252490968720390884984203464755731837733955372119535404946600519723253517469467243570415547335866998133185678641314858487148 | [
[
0.05026804,
4.04784096,
6.52473449
],
[
0.03783348,
1.67452681,
7.0054998
],
[
1.27107153,
0.83006468,
6.85660273
],
[
0.04410171,
5.36437393,
5.7703742
],
[
1.26778317,
1.52743814,
1.98524484
],
[
0.04317555,
5.70910296,
... |
CO_7382871200039604004275075 | 738287120003960400427507508651693758648322600614416102637891706044364293763465638091293868141632658443198410716651223659074230320860335032720185974310638 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4637056747468886,
0,
-0.1502015533207923
],
[
-0.193288369107995,
4.921445983945159,
-1.0064487636624304
],
[
0,
0,
12.50410151568173
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_13"
] | null | null | null | null | 10779321612754118124888832284024285293084451153226624779272647929240754862516250397793482847221452323600192552806074149305838313730173859765010494922201944 | [
[
2.12647965,
3.05518263,
11.23828103
],
[
2.35970642,
2.23730165,
-0.09899826
],
[
0.88963348,
3.88124847,
11.58332451
],
[
0.35792479,
2.41406498,
3.51131178
],
[
0.50444611,
3.56163673,
6.07797324
],
[
0.29846792,
1.84664548,... |
CO_5950243457731769660047417 | 5950243457731769660047417754792759902099894981431209255362163289088041442866419975563418048317478346874051524216382949405424872616978301750365277568892993 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.477198665856443,
0,
-0.012459646024654424
],
[
-1.2387454377839697,
5.976924350581972,
-0.5602259443276436
],
[
0,
0,
9.26589
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_14"
] | null | null | null | null | 11667470477397149488735129634574099896752595148340858259803284694699776485929847794848118199562232478980662521002753835616647142283167101870882023982475321 | [
[
1.52051418,
3.07484098,
0.08564605
],
[
1.51933358,
4.05855499,
7.05773598
],
[
1.52177597,
2.43027584,
2.49712676
],
[
0.28420924,
5.30971347,
-0.42563342
],
[
1.52083862,
1.91209102,
1.07443077
],
[
0.27875218,
4.35869539,
... |
CO_9978913583106598109773884 | 9978913583106598109773884013106251324294469925073466839462507072925927512140824830720882308169063276235853143735218268415806261580863361965054018961433173 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.466551148369449,
0,
0.29458255019154
],
[
0.7621706209163248,
6.848731751096816,
2.5429025201373125
],
[
0,
0,
8.29759
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_15"
] | null | null | null | null | 12289398955359549110309441126775639954208314892103321080315796866511492630792904553159235523713148173495921007167225226526372514135588817587787346394361997 | [
[
0.90373954,
1.82756969,
0.76257224
],
[
0.57112638,
2.87580171,
3.06624525
],
[
1.37038702,
4.33786417,
6.41345808
],
[
1.48895756,
3.55534472,
5.16104376
],
[
1.89070466,
0.74240033,
2.59147832
],
[
0.22830128,
0.13371046,
... |
CO_5898014289888056694226608 | 5898014289888056694226608588692859829843106422143006241858472318798707514437407551565956482683598698773190809765946506442242065894062181685708097560780496 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4544990623218443,
0,
0.04150753619749341
],
[
0.1565285158951855,
4.896673957082769,
0.878406666492812
],
[
0,
0,
12.298247900632125
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_16"
] | null | null | null | null | 8689308967440197812733047304087803802676446341715232058002703990803379001004853910988837491361768190279504894237628246155584823286790591271152634114908967 | [
[
1.45550807,
1.59463336,
3.30625185
],
[
0.18435123,
0.67551826,
3.30817642
],
[
0.10249578,
1.34239731,
10.27718206
],
[
1.31775144,
1.58565012,
11.12734619
],
[
1.49048522,
4.48588625,
8.91517537
],
[
1.47082013,
3.80514838,
... |
CO_1141159241659800770559325 | 11411592416598007705593256084794624511466065579351224974986588872534017189895715110732560230463036529233333232766555226568053982932243770732533124496111502 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4420779076960417,
0,
0.1588682169060993
],
[
0.10272805993407844,
7.569180445419716,
3.8059091230177793
],
[
0,
0,
8.492963436133133
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_17"
] | null | null | null | null | 391913482452518569255425915195726047909883630618404960451514631437273359601365144185268560401788880913045099326819221260402672290484903086881267197913509 | [
[
0.80946694,
0.18013953,
7.94411079
],
[
1.9737467,
1.7562431,
9.25148593
],
[
1.15237718,
6.43536119,
10.82297402
],
[
0.88173615,
5.84828996,
4.88860291
],
[
1.98940405,
4.28763061,
8.1541295
],
[
1.62666541,
0.41696367,
... |
CO_1077123863357060211498022 | 10771238633570602114980220913135009977445376500120176378275523968608141272069057385657488175743311027763183733228888963458164859531123855854928868685998809 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4891692205084577,
0,
0.05283999028499545
],
[
-0.01997208091132491,
6.780465909052084,
2.2291101749950704
],
[
0,
0,
8.37662
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_18"
] | null | null | null | null | 6476376892436252922799211901327633814163138207967142476219133327312261810608535383611118399046990629869967248198767585963927532878597257983083629624708679 | [
[
0.88450451,
3.76735196,
2.0496527
],
[
0.86710028,
3.03193564,
9.20124387
],
[
2.14414016,
4.27759443,
7.63519315
],
[
0.89173898,
5.22013865,
2.1671016
],
[
2.09657536,
3.43389095,
4.86509714
],
[
2.12586201,
5.44650722,
... |
CO_4052291053598155876113077 | 4052291053598155876113077365827015726682541606552272196807838295903962460196040785865994356037006739263324054783752321623210312102155564139081456573369406 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.425794648962456,
0,
-0.32956942738232636
],
[
-1.3627006833548645,
7.47965293462488,
-0.9722511020606169
],
[
0,
0,
9.00247255231388
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_19"
] | null | null | null | null | 1738227953226846893726043196891878282257369005542284711331174501736454535082407140474838714715991613227149913133510735892829172215814514350906089854201434 | [
[
-0.78599411,
6.70209424,
1.85696738
],
[
0.0642634,
7.29554031,
-0.84166509
],
[
1.2066961,
2.06738056,
7.45895525
],
[
0.28742069,
1.91229886,
0.75675344
],
[
1.16426162,
5.41780418,
7.16666533
],
[
0.40874721,
4.57809705,
... |
CO_3452891359418804082903076 | 3452891359418804082903076530495350191561477581478284444849151850951415684904030214898098907865707620842617671941333059026453312328769660934307259097914867 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
4.727546360323725,
0,
1.0117143268185478
],
[
1.2715693293702592,
5.762260566879898,
1.1061275102291925
],
[
0,
0,
6.425314516011734
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_20"
] | null | null | null | null | 8454502094297780614528971291758626687506537247807267004969988728899685784703574335412581595000039102314518922185353436817389745957683411924067816532329006 | [
[
1.21869037,
1.66845413,
5.09010222
],
[
2.53162426,
4.66508951,
5.53318098
],
[
1.71488195,
0.1219753,
1.91457493
],
[
4.14187568,
4.08317034,
7.08797401
],
[
5.42412355,
3.17737265,
2.75083721
],
[
4.8110925,
4.66718674,
... |
CO_1247213857505986013484708 | 12472138575059860134847086729375770462845922108590923100664164587693570444847845884312205230311014892445303627336357420525518258951895105170022442705048354 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4823399991621704,
0,
-0.0000644946247048814
],
[
-1.2400794499123302,
6.583929076523848,
-0.6165129710528068
],
[
0,
0,
8.321932761586131
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_21"
] | null | null | null | null | 2629015125313681220276493728740992683422704709493819745738260923842460801135983666339039658707817698855873797420365306993198785227559538119565836150318747 | [
[
-0.27829486,
4.58917844,
4.43639473
],
[
0.96031907,
1.37868772,
0.27552608
],
[
0.96013809,
3.57038975,
2.20535468
],
[
0.95914938,
0.78570147,
5.152021
],
[
-0.28591118,
2.78901583,
5.5436912
],
[
0.96299891,
3.78599486,
... |
CO_6374907869882081025908528 | 637490786988208102590852814101484579372576440823112389765713051156329931541329602524386060659435455488276756315630219539989336683514836581355173378246934 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
4.830603573577984,
0,
0.7042521592693928
],
[
2.151721438459854,
4.4490750883313295,
2.1568344760537053
],
[
0,
0,
6.41046798308764
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_22"
] | null | null | null | null | 9746764037799040607717409251857247656183110205048206258752219075757737575566421994979788716435678496452032252727613004070989323011549778756448380018108501 | [
[
3.54779001,
2.70778042,
4.79489316
],
[
0.61983925,
0.84175753,
6.53731452
],
[
3.72392775,
4.12970597,
4.27531758
],
[
1.42847051,
2.06399307,
3.08780635
],
[
3.91156324,
2.02980162,
3.4881907
],
[
1.79459547,
3.04442093,
... |
CO_6309401829049465217361295 | 6309401829049465217361295710516188481449788234019157998536142553361797779529320489360061963167778288130784232411686057658073521367478831687551892875607101 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.475932148459541,
0,
0.07065238725281425
],
[
1.1490709359824611,
6.428020354305859,
1.3146021351001895
],
[
0,
0,
8.74125
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_23"
] | null | null | null | null | 6963483646527398841696444930660157371379055748727512763760312923408157348538242587351623392506806165505972196990541335576070992778611460228473889075322045 | [
[
1.97877071,
2.30842064,
5.61652015
],
[
0.76218006,
0.76068852,
7.16141239
],
[
2.16924646,
2.50963446,
1.75170981
],
[
0.76148316,
0.13222907,
0.61361566
],
[
2.00824385,
2.11005965,
9.00340597
],
[
3.1432214,
5.91310912,
... |
CO_2049471955246421033490597 | 2049471955246421033490597229165934974547284690326574328054380847323801311750665223474304096447914954629617610030610397368584392504016896068631102025150771 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4477697707271737,
0,
-0.0010594405307694046
],
[
0.0007819922144187969,
7.508415645641917,
2.738130071922779
],
[
0,
0,
8.463853645980414
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_24"
] | null | null | null | null | 12624847551247251228143848593832823492972329680425672351920266975954407505570122622097642709576713543256647373205448094166828543027708985402751681706258886 | [
[
0.38744084,
7.45814643,
6.80332601
],
[
1.60705136,
5.87055261,
4.52734683
],
[
1.59350298,
3.82001045,
5.70616696
],
[
1.61470962,
0.23558412,
6.30609776
],
[
0.38679371,
2.88112565,
9.15376774
],
[
1.59864364,
2.06860748,
... |
CO_1213028861542682258965472 | 12130288615426822589654729820018546886090754339825603805721117451800553689339761883608759681617401242884698558762618495802599484920684356607057653431865882 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.463705450336592,
0,
0.17997035000735973
],
[
0.008831759168960125,
6.942355982234471,
2.9708158570081067
],
[
0,
0,
7.958702310623137
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_25"
] | null | null | null | null | 11269024014136531433455191169152754545574327749141025249976455747101694057539759329063523573495550523838389730728351277023138424204041420530440490608595378 | [
[
1.19273579,
0.6270095,
2.11809916
],
[
2.36970192,
1.31923112,
4.20345028
],
[
1.11337088,
4.74905378,
4.62896191
],
[
1.10811732,
6.83273826,
8.70287492
],
[
1.08226319,
0.09844504,
0.69691649
],
[
0.76768579,
4.27528269,
... |
CO_1072307481352670867281700 | 10723074813526708672817000456456615336316383525078992993604147460935032986968920229036139843704641524812396888978469876834460119266524792026742809533837398 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
4.650338397784622,
0,
-0.6758250085561731
],
[
-2.3327605408256655,
5.2818076387408,
-0.3599999637112749
],
[
0,
0,
6.61404
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_26"
] | null | null | null | null | 1849744397967005137615909069125536309776783745483043529771227221917879476360705178104827288500243458266873487042035378695172209934125629636197598700641985 | [
[
0.93701645,
5.06975796,
-0.71795808
],
[
0.28060418,
4.93315663,
3.74965506
],
[
0.0122669,
4.41282494,
5.11397512
],
[
0.07070103,
4.11728356,
1.33869656
],
[
0.607279,
1.26258976,
1.61479506
],
[
0.69447337,
1.11421729,
... |
CO_4389060316039122755966606 | 4389060316039122755966606451838309387398808255340607741296567667124663792536094408642131412193241977695011424365684179567314293089897501843740430995244083 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.478557069844516,
0,
-0.2672170988611389
],
[
-0.291548465478118,
7.30191798346019,
-1.572503658246307
],
[
0,
0,
7.991793889982046
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_27"
] | null | null | null | null | 5799842851692922216284150310865120083674077969645371189617584816771226870543838020055377215481358038454701614075287494003565469543641398234840097439973301 | [
[
0.25042353,
6.248097,
2.70339254
],
[
2.00608138,
5.57817604,
-1.14380091
],
[
-0.07689483,
3.84107107,
0.9685331
],
[
-0.14967657,
5.18241165,
0.40450279
],
[
0.02329442,
6.3056754,
1.2472768
],
[
0.90256737,
0.33102515,
... |
CO_1331963795109766159431961 | 13319637951097661594319616280596235382395378291255128123292422276130259316393919348250543338453557813396883316912200178966857686530128975193387401167268781 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
3.331925377222395,
0,
-0.29078436808295866
],
[
-0.6175166678620008,
5.948235829992794,
-1.6565859300991743
],
[
0,
0,
7.04498
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_28"
] | null | null | null | null | 9101947241941991723138505997451978833712943167564332308098755172560261516516357627484665050290354203065678361616985317150487345452047924422990270539505414 | [
[
0.41618083,
0.19400933,
4.27193068
],
[
0.73738633,
1.56861867,
0.31230954
],
[
2.38923856,
4.14711335,
3.41250535
],
[
1.43749294,
0.43705799,
0.94021124
],
[
-0.03980143,
2.17857599,
1.46526423
],
[
0.96334287,
3.35974651,
... |
CO_1144567813690950490272244 | 11445678136909504902722445595986087307318443532886443873883220841463129461194892829750466747505257120670710729538554353512854035989709744592218598831636369 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.466909325946862,
0,
-0.023367883010656787
],
[
-0.6280237775958767,
4.863144406068712,
-0.4444603440092253
],
[
0,
0,
11.36685
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_29"
] | null | null | null | null | 723420839923018319583874588669265653278518061050763478832618575387072397653822775787450532642920098588066900161932300927510539125567110674076772314386038 | [
[
1.88852467,
0.53032035,
6.22143281
],
[
-0.39525875,
4.4590049,
0.00824773
],
[
0.00214511,
0.83294089,
10.89653379
],
[
0.49644292,
2.30604696,
7.46545439
],
[
0.4037586,
3.1988446,
6.2317266
],
[
1.69452662,
0.99073622,
... |
CO_1237959128330011043099302 | 12379591283300110430993025059205706363140996058635943442321881684359127627716710365587109651928717237992282364442723109131009081114420054840321575997312066 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.46440440042527,
0,
0.25546479848418485
],
[
0.1555621052583745,
6.925419125726229,
0.7043211333141483
],
[
0,
0,
8.17438
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_30"
] | null | null | null | null | 8805553295926132953431645119165819816486499242949965799173555624404758154657140990764047009201359988390549011550819785594405974625155410952660502573974715 | [
[
0.2110806,
0.29533706,
2.20803445
],
[
2.2238418,
5.0824011,
4.14565623
],
[
1.51608359,
2.90212625,
7.91460011
],
[
0.84046716,
2.82537321,
4.61048786
],
[
0.86914511,
4.41228647,
4.62399614
],
[
1.15894486,
1.83727997,
3... |
CO_2167112648892265321365629 | 2167112648892265321365629662289723891460423907316811653226034150898086158537980237587916783858155753030874976493955429713718333128678268100310423268090460 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4702797193262835,
0,
0.0011775760090762316
],
[
1.2262687974945805,
6.372665641582619,
2.701091187739426
],
[
0,
0,
9.022266169545349
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_31"
] | null | null | null | null | 11836111335642379740917985711103791476482487742249858710889895941744133311010272625525912775203387642633022995233958759444737951453132155781799526975104489 | [
[
1.50732943,
4.98525043,
10.78163866
],
[
1.50004785,
1.29398939,
1.51558893
],
[
2.73513209,
4.01782982,
3.67079073
],
[
1.51197873,
5.72546473,
8.19648119
],
[
2.727062,
1.44775072,
5.9395634
],
[
2.74427311,
5.4958451,
5... |
CO_7114519080399217407690576 | 7114519080399217407690576291169557124836045254833068885063341961890440040982817967006397517191312279042115890195255223299345101552033957440257649200720575 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4488589307228907,
0,
-0.26624718124093344
],
[
-0.09442279339655106,
5.815284717619565,
-0.5513899944753495
],
[
0,
0,
11.143194067270981
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_32"
] | null | null | null | null | 11105417097118693968168100196851362044639212125622242240208819862103441369051658798065057944787177306758268174255233826849615096770368937937731919271280034 | [
[
1.83835697,
0.05899199,
0.33169699
],
[
1.63034602,
3.46448123,
9.91810859
],
[
1.05680513,
1.63825224,
5.07571376
],
[
0.06764496,
1.45164935,
7.32414417
],
[
0.73770558,
4.91361656,
1.83733747
],
[
1.8065539,
3.19562165,
... |
CO_8923594079007575573818925 | 8923594079007575573818925830019523980833875818834436999291135984711249608642206257412896728356583820528141758958380468222097746313064043385540373418999716 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4724998008802785,
0,
0.0009922938004203934
],
[
-1.2364819286130528,
6.514636191238161,
-0.4341980363130982
],
[
0,
0,
8.593351294836644
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_33"
] | null | null | null | null | 662458580333730579955808783493784636744812383040157512097896559934919835139536399104624179076730711930902412172781045720942813639949068198927911183477092 | [
[
1.90073867,
1.28132151,
8.13520664
],
[
0.66224794,
3.70781744,
6.18286849
],
[
0.66375833,
4.55288822,
2.26814198
],
[
0.66769627,
1.35468452,
2.36514088
],
[
1.89875577,
2.99644887,
6.70599161
],
[
0.66737037,
0.64240287,
... |
CO_8727073634182755784663086 | 872707363418275578466308640865294316063489508302743794216720982536331189269026719199846479176386350734126145716408905283327525651694374240279338937795754 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.46446828506963,
0,
0.0029073675303459812
],
[
1.0575100986059613,
6.345657870666316,
0.6843541924303921
],
[
0,
0,
8.940217212966447
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_34"
] | null | null | null | null | 1744344983941356503420064797944097526035486827270641384789458317985672766009957192404715923821585407465684037439972545262251866148818614804044317441044792 | [
[
1.98985029,
2.04852412,
3.58649205
],
[
2.15168761,
1.9858572,
5.17663521
],
[
2.09611122,
6.01674466,
8.98288458
],
[
2.13461021,
2.55414963,
1.00057379
],
[
0.94167879,
1.23066623,
5.46672177
],
[
0.90161656,
1.72084818,
... |
CO_5059788951757108806648662 | 5059788951757108806648662368421090779765814171470577747975272530131402390057695729238736568861784020102813312139143368287089179411371068817709902662073413 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
3.777470656734799,
0,
0.7357192671172627
],
[
0.8266383658153371,
4.6034781542750665,
0.9309584281128656
],
[
0,
0,
8.96025
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_35"
] | null | null | null | null | 4335956739639483896247489442183956967226464626615308745993508529136181157730747846147254691274900973151204564275370316732707998592804729985398916915334079 | [
[
3.00345428,
0.60128422,
2.14437884
],
[
0.94952848,
0.10805984,
8.0227848
],
[
3.45345937,
4.2798785,
1.8664535
],
[
4.1049842,
3.30272015,
8.60022615
],
[
4.42948375,
3.93261812,
9.82310738
],
[
2.94944944,
3.09258058,
2.... |
CO_9548832848235745487739101 | 9548832848235745487739101683026532101396406608424155941301487401093284092441308399373249219748509319999590020703994405101380029798020082906160978751387366 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4800040592863764,
0,
0.09976725927424782
],
[
0.9346429741028539,
6.384703059808021,
2.6572904356577753
],
[
0,
0,
8.692606928595778
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_36"
] | null | null | null | null | 4076871800207900424019869830749428113942630374760539086576062982680041571582361831825660872545442311711613273411229097513594924334517823932291114780081529 | [
[
1.9716094,
5.70496561,
6.73670868
],
[
1.77756436,
1.60287677,
8.32047453
],
[
2.79226573,
2.93761554,
3.19749114
],
[
1.67424483,
5.08397592,
5.48640164
],
[
1.53083313,
3.72753151,
3.60753075
],
[
1.48792084,
0.81340989,
... |
CO_9733109655052701516805130 | 9733109655052701516805130173180987921446617106647505939233791140647806796490004227588809664692494594340440911611015228053610817613212918325333178204328514 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
3.3848600355899228,
0,
0.31190251596642293
],
[
0.8386821840211119,
4.029470404598589,
0.32630421429956796
],
[
0,
0,
11.09542
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_37"
] | null | null | null | null | 10866208356080977687798271055644893381482788621572260492195078264206410657473619161155337959663638093682098060391199883896879021252076983844827907815259823 | [
[
1.18098614,
3.11497992,
9.66990776
],
[
1.396287,
0.98559653,
8.59232061
],
[
2.0531339,
2.96673929,
0.96548003
],
[
2.81890667,
1.43721788,
10.52289051
],
[
2.98018556,
0.65772034,
6.57675682
],
[
3.69946746,
2.06229254,
... |
CO_1195547060872999004571574 | 11955470608729990045715745915945170320216943922306306593590105052213761534678823884322543022348742402840055180953072535385634000330893045527947017130904865 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
3.292541495733158,
0,
-0.5843283485979964
],
[
-1.614753368273185,
6.409017743322627,
-1.2586731797913784
],
[
0,
0,
7.06656
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_38"
] | null | null | null | null | 7188005318986588743189332015320530663025699029755605642940970201485234966106514202181735639302868828465521234090579206914425188919586479167618135557695981 | [
[
-0.19664784,
3.14076235,
-0.36974059
],
[
-0.09282447,
2.33495302,
2.12073574
],
[
1.44355257,
1.13458226,
5.62580489
],
[
0.51907006,
5.3666965,
0.10372992
],
[
1.44660809,
4.89101638,
-0.97523874
],
[
1.00703075,
3.2465112,
... |
CO_8779909821324756034384031 | 877990982132475603438403142210750930611144145704589121818592734034798997675602215157452352291996650639122094053493746563962012677457486449613175002072991 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4255442172572947,
0,
-0.2814607655246033
],
[
-0.4953783437879743,
6.43009744788232,
-0.01057415921830346
],
[
0,
0,
10.350505250653885
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_39"
] | null | null | null | null | 477606751079455438266765884182289142356866792790134478737532614141172740608889326868724592925524755511279953460034357361100775357839616527235036585796269 | [
[
1.17880133,
2.13712346,
2.49957447
],
[
0.49705153,
0.08078909,
5.23960219
],
[
1.21522866,
0.35119463,
9.15401187
],
[
0.19070484,
3.02793893,
4.51080044
],
[
1.78683391,
0.33174988,
5.76293552
],
[
-0.12307636,
1.89644562,
... |
CO_1062461157475651692942871 | 10624611574756516929428715732889124985618721945586583953421834866610994464378959235669357430967961117179194913840262009518549732758637864108366824585677098 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4450292642463474,
0,
0.34671711391127696
],
[
0.8243120544829873,
6.567043301769646,
2.9243268795427904
],
[
0,
0,
8.72376
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_40"
] | null | null | null | null | 695175233541278672956659130081557683461627777557128417245821225522774183984245774417067793645322498123355839469167194848878611636823020631968397781607302 | [
[
0.74721032,
5.20071695,
2.67242653
],
[
0.97205035,
0.40157962,
1.19709054
],
[
2.63611729,
5.52182639,
6.93097487
],
[
1.53924671,
1.97898592,
5.99932156
],
[
2.48379272,
1.23457584,
8.11907923
],
[
2.84508957,
5.14969398,
... |
CO_5864801613551664105895765 | 5864801613551664105895765052533797547910878890813858090483125431928592494758066994581723857204540722778249328947336644867371956171574259608530971858024729 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4673292887767753,
0,
0.16181871846079904
],
[
0.10880902327074192,
4.822690396845578,
0.5822531043526542
],
[
0,
0,
11.680263086010797
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_41"
] | null | null | null | null | 3541512961271691911421412003416282743951378706568276008599636832894970759042729202833520851816898712720798339420251319418927818552562780326379341499380008 | [
[
0.56672652,
2.1097027,
4.36371011
],
[
1.81185655,
4.12170757,
1.61067168
],
[
1.4935765,
0.09361209,
5.09697611
],
[
0.74360824,
2.53629353,
5.80699952
],
[
1.74622617,
1.77058008,
1.28272302
],
[
2.12996004,
0.59429469,
... |
CO_3984836023116467401885212 | 3984836023116467401885212158166108499444945149360822230249518550759080243899804646930024030195659477146490627618498448380279443827003879512273174967913062 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.474121058211824,
0,
-0.12426989544054443
],
[
-0.3809901967894232,
6.677983341592771,
-2.060705171964154
],
[
0,
0,
8.52802
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_42"
] | null | null | null | null | 3082690364437786248452149395151657587712697600214733354749209503525908221814454112614339839974528722676195135153759957376437469515028453119308684620270294 | [
[
1.98293431,
0.6611287,
4.99191663
],
[
1.283893,
5.09634185,
2.41559072
],
[
1.07151947,
4.14027695,
5.02781504
],
[
-0.08059652,
4.53026069,
-0.63881766
],
[
1.24000652,
6.48294202,
1.64207219
],
[
0.11705377,
0.29287645,
... |
CO_8840831111313575200078782 | 8840831111313575200078782855768432070354490429267990593519137979683140830549914511179786270354203137376241252664641955580802648242163669321465649366538979 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4540254971218385,
0,
-0.18528108261749954
],
[
-0.7111071699691045,
6.545096819057101,
-1.061102759601154
],
[
0,
0,
8.76072
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_43"
] | null | null | null | null | 3636255509748242356903277385691673563062157902340053792565639830446136471082883712867508052914351835296873166141312704073941448950178130150646689785480121 | [
[
0.59793247,
0.91712351,
2.10866673
],
[
1.90474789,
0.99297549,
2.71418039
],
[
1.91940964,
3.20875152,
2.43855877
],
[
0.90241647,
2.32897721,
4.45831743
],
[
0.49337442,
4.66886889,
-0.44861486
],
[
0.42318718,
1.11148664,
... |
CO_9933627215334156987333973 | 9933627215334156987333973364275712303655814371989667737852190017206230815246182348109089096884566192921447913797890091487440155397892668430086408325022981 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
3.4034387846338263,
0,
0.23321847193183456
],
[
0.03895960416442369,
3.4773610277674356,
0.020552406368981167
],
[
0,
0,
12.77892910790034
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_44"
] | null | null | null | null | 5032857676191836683593958903347409985484321631666815004936496041649520020981907340435734517702436761838367275008580001237458152579028844572762145903439892 | [
[
0.30841492,
2.48908038,
8.31047381
],
[
1.07474691,
3.07703248,
6.12882009
],
[
0.59762045,
3.29579904,
3.87193286
],
[
2.26048116,
2.58056266,
5.37980643
],
[
3.31934935,
2.18714669,
11.57400101
],
[
1.61859307,
0.44941313,
... |
CO_4269318454106552577518896 | 4269318454106552577518896276984458207515768587816660983763724716722932736994616393984027136237172484825664622649140673108474675154399647740507601670456195 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4370341363555217,
0,
-0.28247272565310333
],
[
-1.319381383557157,
7.1639691001295605,
-2.186658300240724
],
[
0,
0,
8.045230292029752
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_45"
] | null | null | null | null | 3499191012069669405706901407033947934080902277005386080466324647879783567985896118910189640051607515303349513886389415935799631266992908335736339178278421 | [
[
1.06717886,
0.45107473,
2.12626998
],
[
1.0135741,
3.70549661,
2.22007698
],
[
-0.85944549,
5.80909039,
3.45824243
],
[
0.60790067,
2.31331905,
6.45772641
],
[
1.19754334,
5.13025131,
1.89316535
],
[
0.89923334,
2.95694637,
... |
CO_7187389798282196544111618 | 7187389798282196544111618918255586919955136570766394830534862166742905902676599012406727324021692295876312833355264734473977689409809440439987068383364642 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.477334556934569,
0,
-0.199319865085747
],
[
-1.0802569296444102,
7.052947043894679,
-0.0446885571600156
],
[
0,
0,
7.88246
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_46"
] | null | null | null | null | 4386443063077611084529048776646828823113216074922796463968075060056479821124033160357667149463745449507301182075744164495478374915968096735776431619829871 | [
[
2.18998087,
1.41512325,
2.17914809
],
[
1.60064682,
1.38533549,
6.40860852
],
[
0.19454283,
4.91054914,
1.80481869
],
[
-0.39193374,
2.74615711,
2.24603488
],
[
1.73421147,
0.28864313,
1.24140313
],
[
0.47939006,
0.24634209,
... |
CO_2336298283391379999859270 | 2336298283391379999859270615655224864947787589724997716609781406456231690416058996309271662598840781916492770260162619172464792422588007060897458633837697 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4845326183265115,
0,
-0.0836382213560769
],
[
-0.08227708619112399,
6.7282229606733415,
-0.19357983535471796
],
[
0,
0,
9.00599587915088
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_47"
] | null | null | null | null | 11993258519447490576737357499602981800285523369684593327135087212888719409515491978494372213997840390022722165004470238365689876845911991340697592675517653 | [
[
0.62042365,
2.23516795,
4.22242379
],
[
1.8163492,
2.506957,
2.09772185
],
[
0.62973175,
4.7155377,
2.32021049
],
[
1.86821238,
6.23003203,
0.70459029
],
[
0.67460186,
0.43348622,
2.88901987
],
[
1.00043059,
5.21303643,
6.... |
CO_1035646703843915801745969 | 10356467038439158017459692924701289362506761618173703422153623080272233864575510271582313234255618760784912423593161918966753796891346463554494673253547764 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4477279599134016,
0,
-0.12287184526236213
],
[
-0.021573697360423607,
5.245799838022328,
-0.32236870596744244
],
[
0,
0,
11.23965
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_48"
] | null | null | null | null | 8241248854342420200274925770019056920662197590372737803553754479005092671052379158169751924650885103909071006010232203949105332146204262601726257528002299 | [
[
2.18593899,
2.72989818,
9.27068342
],
[
0.85656322,
2.72376847,
7.15856258
],
[
1.92055932,
0.13572605,
7.75793336
],
[
0.5058172,
2.44522148,
2.01222105
],
[
1.7066522,
2.24623806,
1.06879111
],
[
1.73489132,
4.53325734,
... |
CO_4961202804135100983640880 | 4961202804135100983640880815807760367426819944248047347831408300496282271659733568008316248146287995964033110676101167300915760283871862722299978942062298 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
3.2942311920609804,
0,
0.725709323112561
],
[
1.2346398145689617,
5.936268747578566,
1.0267443835751517
],
[
0,
0,
6.9290899999999995
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_49"
] | null | null | null | null | 3764253928356851784512213579814164314875314159101699608248859969234930637198739827831831921528287221568621061178848010349580398109017106749365942068855412 | [
[
1.34910005,
1.55854433,
4.96997991
],
[
1.25478491,
1.81124274,
0.80167743
],
[
3.57834697,
4.25404731,
2.64048985
],
[
0.63845104,
1.7734556,
6.23658354
],
[
4.13314294,
4.40681131,
4.09667078
],
[
0.93577329,
4.20293128,
... |
CO_3893577178878306423421041 | 389357717887830642342104157022368445246295016895075624047379297402491493095053092394990983228541197177373553998994722738612169116696401643953803085354020 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.4690374314278816,
0,
-0.06930773627821595
],
[
-0.3476425205480582,
6.293265627458369,
-2.5181045903135186
],
[
0,
0,
8.944073618114556
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_50"
] | null | null | null | null | 5138541019114665986425245807836049931314945722031175623811101852407849291167249540361947848676042015655740126394510217367600528012260377316317601092182225 | [
[
0.841556,
0.64311077,
0.37494598
],
[
1.6498679,
0.88164989,
7.15806383
],
[
0.62407026,
1.53653315,
4.94755191
],
[
0.55433607,
3.60646801,
3.47082151
],
[
1.86961513,
3.65045316,
5.67125879
],
[
1.72663265,
5.71016971,
2... |
CO_7145095694849110877077841 | 7145095694849110877077841172343969865981472944248713239969074341023407676444967624830195373443182904210511741593639348173244805944344798857324329056999762 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
4.4903022957506495,
0,
-1.733228067155747
],
[
-2.690427712717243,
5.0923444076740365,
-0.3593749810550892
],
[
0,
0,
6.100119980276157
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_51"
] | null | null | null | null | 11770754998593886557155816131049862596147455074476627013301164444991826037972319514921459212507386277905627715615535898087817580823818644335029452353052097 | [
[
1.36757027,
4.69854797,
1.11472209
],
[
2.77542739,
2.90732142,
-0.45266336
],
[
0.30972269,
1.23048579,
-0.06266432
],
[
0.32232941,
4.54405489,
3.45508009
],
[
2.93308074,
2.64303404,
1.81378348
],
[
2.63875164,
1.37379979,
... |
CO_9149428774732838531044147 | 9149428774732838531044147964723163519901491274110623262297942634176126842261810850533615736791647105367129737419647312426486715786792349028779724941027353 | 2025-05-14T22:14:39 | null | C24 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 24 | 1 | 3 | [
[
2.476192077614065,
0,
-0.06888335982906094
],
[
-0.334912219828511,
5.664191581779343,
-0.02277689200858251
],
[
0,
0,
10.481459711108407
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_52"
] | null | null | null | null | 1347821292129306796094003361369062862000928355803476270078782054781471584216210284708250792978623820902518233857039935426087072569362878179567926780367414 | [
[
2.18079414,
2.23037779,
4.88423059
],
[
0.97005963,
5.50359629,
5.54228895
],
[
1.40332999,
0.2576374,
1.63352519
],
[
-0.22761136,
5.40560266,
7.66864922
],
[
0.88485357,
1.33550032,
4.84183021
],
[
-0.256747,
5.20910766,
... |
CO_8281967850951286785248397 | 8281967850951286785248397668378597988678488340115734175387212418282387292782790162327558192080768117336835292630715727916166179801119938962038463898689239 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.4241865640798923,
0,
-0.008071092523468023
],
[
1.2222623662251673,
6.9472799197801285,
2.7321327903909616
],
[
0,
0,
8.97448
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_53"
] | null | null | null | null | 4263064084361553631519366127080195351476141771186813401237012305107756285870023182116308879726343306618005546029500964110820285144885729885047507582191313 | [
[
1.00054751,
5.3179461,
8.00998896
],
[
1.00625315,
3.84349501,
8.09723721
],
[
2.22896565,
3.32350917,
3.51745635
],
[
2.23720609,
6.6748902,
10.67919842
],
[
3.44476538,
5.98281329,
10.54191605
],
[
2.20869217,
5.98393104,
... |
CO_1126785916830567172898964 | 11267859168305671728989645000974499500466261367714990223797871293366534061084878729464656009961764799098115747854085914726965117819607207859291955149719552 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.451225340562627,
0,
-0.31553039835114427
],
[
-0.840063605658666,
6.770666510395574,
-1.992786696828236
],
[
0,
0,
7.68148
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_54"
] | null | null | null | null | 7470229857064326652963586275852684650702014984016506571407536689152201857101231317954534195618818091065298781558064248363890252062549579902511102813171246 | [
[
0.42599159,
5.85772886,
-0.06210378
],
[
0.43855376,
2.47414041,
2.63242022
],
[
1.3041019,
6.5210493,
2.25926067
],
[
0.18637418,
3.26062354,
1.27087422
],
[
1.41617746,
5.05691054,
2.24997105
],
[
1.45825801,
4.18501803,
... |
CO_9637590241148840689915640 | 9637590241148840689915640523600518274472977781626131583965663892567663398127018168426960984462688493689449670520110956514844316325938176418570347941037526 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.4687313173498913,
0,
-0.07694080605161255
],
[
-1.2149857860762336,
6.3770478703418325,
-1.871518875042555
],
[
0,
0,
8.10645
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_55"
] | null | null | null | null | 5529598853362988277750528685462956381469623705781482423320980486467733574877774753524055700578123886738788328915421053531130121806341147931613817697863962 | [
[
-0.39180675,
3.9977752,
0.21775237
],
[
1.07631202,
0.22930155,
2.81041225
],
[
-0.16510058,
5.39128808,
0.136958
],
[
-0.14381387,
5.21756168,
3.23608675
],
[
-0.13213381,
2.44672462,
4.28788453
],
[
1.07981652,
4.32212799,
... |
CO_6153926066371015202797866 | 615392606637101520279786649778779960388040030480900951261210673227779181396807911170181865749318109887336939083226831740247816513058830654345338017105682 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.4712887797678555,
0,
-0.08020645294179038
],
[
-1.2392055980663657,
7.0573948108963815,
-0.6533514191871306
],
[
0,
0,
7.29945
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_56"
] | null | null | null | null | 9401746275076418730016433726180836465821589148974144009918069524248377377233076769998968067720800897717473615759935415386876855236528348496959501491769283 | [
[
0.66325961,
3.17989152,
1.97325941
],
[
0.66206818,
1.70976491,
2.01017413
],
[
1.55805814,
0.06383025,
6.18445515
],
[
1.93524691,
1.03404716,
2.55845982
],
[
-0.56429514,
4.57236048,
0.40124703
],
[
-0.60103245,
6.13886507,
... |
CO_5294024510198666050469101 | 5294024510198666050469101947240874545213619626381047711362546785390734028780917731572824975103724812985095892383483967751799741239263844170055802716575989 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.4203911379859147,
0,
0.15264920294337667
],
[
0.19453614176388723,
5.650636158348424,
0.7524249892268241
],
[
0,
0,
10.68349
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_57"
] | null | null | null | null | 11818882358031589096358241512390512652708211207916112299523718737714051102201675197360149173817711282225650935363508223178057075210695707893595745401762126 | [
[
1.62341247,
3.49875005,
7.01396834
],
[
1.56719664,
2.36059343,
1.66540603
],
[
0.39958182,
1.12691807,
5.49781734
],
[
0.36388581,
2.88538994,
1.13310749
],
[
0.25149188,
0.15288904,
7.97512957
],
[
0.57641309,
3.74801741,
... |
CO_3378910277688465635622390 | 3378910277688465635622390959873866884988232143518894778334011371225294049525354936428306857550782679599522391740513268619066112475066870654936008150668242 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.478679638443921,
0,
-0.0013387918102563043
],
[
0.00034929898172510155,
6.309944836613119,
2.514569513413712
],
[
0,
0,
9.087731558344567
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_58"
] | null | null | null | null | 13370201778621781509327305240367658056471504650448763758871579929321681232846698259028972569033895114659430888017637510729555238155591330954517638973056730 | [
[
2.01404749,
3.96160781,
8.45219541
],
[
0.77796616,
1.56246406,
3.69070824
],
[
0.77467143,
1.01355672,
5.06137532
],
[
0.77924441,
0.56330152,
2.58619518
],
[
0.77567315,
2.9141087,
1.19703171
],
[
2.01435296,
3.97061772,
... |
CO_1857511803197133149595623 | 1857511803197133149595623935636331272950518557109380769984805519525876398338990038550491079964743283241111233861490266857724011405233851636562174866358087 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.448311748921157,
0,
-0.2745727147671931
],
[
-0.525547146018369,
5.961712695502754,
-1.8173617790614036
],
[
0,
0,
10.31264030466893
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_59"
] | null | null | null | null | 3564962497495361664054587037313397909664042751613884315707858216882128397314759160965095481538056993579532551253600470745777937567973732460515477293249329 | [
[
1.62314196,
4.07713614,
1.56895395
],
[
-0.03269869,
0.87925443,
6.68515203
],
[
1.87425646,
3.14208181,
4.90074601
],
[
0.05317322,
1.70592161,
7.87636681
],
[
1.39129352,
0.4978507,
1.56539001
],
[
1.28660932,
3.70169263,
... |
CO_3589149306055032763531690 | 3589149306055032763531690946935838825128293847761764718119010137798893082197481369402803368902692895075807832964208146886130546739772882245025880758756583 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.4549023956348335,
0,
0.10028723949912796
],
[
0.6489173753205719,
5.258277704230286,
1.400327759919708
],
[
0,
0,
10.282718776736742
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_60"
] | null | null | null | null | 12229199466687722637692389868390200727073724147972191932505999496578916031191144619959581171383435105390642354618451827295245633725287995404884955228690616 | [
[
1.05637502,
1.7162491,
8.9137153
],
[
1.17757785,
4.05164179,
3.77268344
],
[
1.59829675,
4.09211885,
8.66336101
],
[
2.87744042,
4.85830266,
10.73500287
],
[
2.43831586,
2.47440762,
7.05123079
],
[
2.0286718,
2.74946702,
... |
CO_9230952350655085326262259 | 923095235065508532626225970048434201635049306668428148291618477759084638986486254478387180080942151747601625494382528522158935484760993012322951129206866 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
3.515637341676341,
0,
0.17995482602839558
],
[
1.0785976847142023,
4.633751340917972,
0.7374314065542125
],
[
0,
0,
7.84618
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_61"
] | null | null | null | null | 296123591476954758733375624884385826713518529085198495242136652374710639239437787669373884318696120370912927502894829850898802216963160324246256571524809 | [
[
2.9300417,
0.55326963,
6.83132127
],
[
0.36228797,
1.0476726,
5.54714063
],
[
2.10456988,
1.68794893,
7.26394085
],
[
3.23892915,
3.9390794,
6.96917794
],
[
2.49560873,
4.21283286,
4.48695263
],
[
1.49133688,
2.04664873,
5... |
CO_1336509152213522393502598 | 1336509152213522393502598656051848863562084768999183997785550457023735381043609304967639182564742568205080156782698937023073847198532687637206858195769456 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.422686242607647,
0,
0.06690890807390187
],
[
0.3499222083511616,
6.412460887032184,
0.05177938281853187
],
[
0,
0,
10.521438358736885
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_62"
] | null | null | null | null | 10960699983184365484444634159069314795323130161211656473495854727872823328560753480722456027591707384837402045525553082164514801001661932766058744049351425 | [
[
1.77686734,
4.98886065,
6.13535704
],
[
0.49134957,
5.92470923,
7.65613512
],
[
0.44721139,
3.34763034,
7.69155078
],
[
0.58078386,
4.7196919,
2.63380916
],
[
0.54763819,
3.409056,
9.14970065
],
[
1.47192448,
1.42531089,
6... |
CO_1766056842024617486157944 | 1766056842024617486157944668790013526188331816442713420922874556141844448803495907639214927827626756096561721192226821389169070609815533393395496874768367 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.4543999915505976,
0,
0.000203657621046343
],
[
0.0026654657842430252,
6.3087140115716,
2.1005032824521686
],
[
0,
0,
9.587177042270614
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_63"
] | null | null | null | null | 1056031957788117455185565257258037649996760259760618091888189236050431128096703313702503754345893230165958021400489688843317794621979519602230755194361022 | [
[
1.17305562,
4.81649925,
5.25976773
],
[
1.1627389,
0.23750233,
6.42552721
],
[
1.16648182,
4.77704228,
2.50651009
],
[
1.15517083,
0.42246379,
4.85862299
],
[
2.39235648,
4.86521268,
3.18956487
],
[
2.40017741,
5.0970706,
... |
CO_8349482499149559024343248 | 834948249914955902434324802640942021117872488106121860987806425834329809333243674193343933919037818102562896965042602903116597857532647335812357590167895 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.445616320542366,
0,
0.34391876235067104
],
[
0.9846304353378004,
7.005899694157809,
1.496932608161971
],
[
0,
0,
7.38495
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_64"
] | null | null | null | null | 3651763742352207192504720202333227297019539184633058372307709055008161949850823572784882654851405040303281590822866003372579255630548852911660305930391281 | [
[
1.67300121,
5.3535434,
6.24724762
],
[
1.68710212,
6.91870924,
6.15490891
],
[
1.36792701,
4.06422127,
1.43478669
],
[
2.22640095,
1.37121592,
3.11903715
],
[
1.44063893,
2.92269048,
7.79683257
],
[
1.87157923,
5.17191636,
... |
CO_8587166111043832808121538 | 8587166111043832808121538398628690620316429848325248895424502938213758039774675492826051541905515971473281344575597352170603543688545129550033023569100815 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.470850817014346,
0,
-0.10545069966358214
],
[
-0.9449430823731957,
6.4764717376655,
-3.4160782792718916
],
[
0,
0,
7.96238
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_65"
] | null | null | null | null | 1916086485059753996880657216978416515103022775749787019195029465979606205621523689927385257336946883636874210367277440566043404090713979259897703012867492 | [
[
-0.26535229,
5.80340208,
1.65272437
],
[
0.35633324,
2.86205733,
3.93733857
],
[
0.42522005,
1.39941879,
4.1569579
],
[
1.73333633,
4.95067963,
-1.5475018
],
[
1.62852999,
1.37789773,
-0.34350771
],
[
0.55307962,
4.90781407,
... |
CO_4309065325195930736058195 | 4309065325195930736058195454782342815145963350146031543710144206757226895576318626601764526148062736893786615869033630311807298558443604533403616433842838 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.4552688763433586,
0,
-0.18554863987542972
],
[
-0.7535735343743031,
6.908119812963529,
-0.4958437325954828
],
[
0,
0,
7.48229
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_66"
] | null | null | null | null | 4509516500550150199694448750625169032501330212843594187658411491295506057908173007190960366047578464150014123994536659515849547694333637690346021567056108 | [
[
1.34714304,
1.41879987,
6.54680568
],
[
0.94703179,
6.40250575,
0.45372999
],
[
0.918044,
0.65771601,
4.44301975
],
[
0.19723182,
3.47754365,
0.0073079
],
[
-0.316248,
6.25901015,
-0.32102008
],
[
0.04482166,
4.61358388,
6... |
CO_2139139775717102381646713 | 2139139775717102381646713194016976468673055124037275628168253777618624616887277645825089757391502320057955912484255759332272101346971939049545897086182766 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
4.006436294417874,
0,
0.6888854561327079
],
[
0.24355026029118118,
4.582986483261073,
1.1415349618204418
],
[
0,
0,
6.995532040080842
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_67"
] | null | null | null | null | 12046464642385053521401978712198055360838647562889634797663723450317465373107449256721717612377137421679977715899741866461275522524068123793653649011503612 | [
[
1.71101215,
0.04636355,
3.39730378
],
[
1.56657914,
2.64030352,
2.90889129
],
[
4.04154709,
4.31486505,
3.60270629
],
[
2.95163084,
2.18545425,
3.06856002
],
[
1.19639796,
2.56172505,
1.43147418
],
[
1.51190914,
4.14885383,
... |
CO_7947070030531889714385676 | 7947070030531889714385676093687982098707894561298346406124089025300105435569802613766850242403625911435306853631927910159397885496563581329622491095318571 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.4142786757121777,
0,
-0.2505044782063874
],
[
-0.81150373303856,
6.30263966869638,
-1.4036297102296156
],
[
0,
0,
9.841627794268227
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_68"
] | null | null | null | null | 1376851900789420847568367094068821977962253481123557665771243408767704700228090582238057365476135996804755923004156054145227361284015878378615653194499177 | [
[
-0.61987884,
5.84972618,
-1.14269209
],
[
0.19068623,
4.33498619,
6.96975626
],
[
0.75667837,
0.08777018,
6.43002132
],
[
0.71177487,
1.34998117,
5.65513217
],
[
1.55860394,
3.41577462,
4.96690269
],
[
0.96639846,
3.78112377,
... |
CO_1147975766084523454897369 | 11479757660845234548973690595532124625611255892464565589742766601606871002603862284568008639191978729920563239768579865540536628242329931557720625921785544 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.521552107890305,
0,
0.04909468498686153
],
[
1.0284039584518212,
6.841645620737894,
1.9943549314748348
],
[
0,
0,
7.580717579439845
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_69"
] | null | null | null | null | 9568555281687964762581692297820257244527697058310375305751003617713231946801934892990595743732303442990859825473801189250479354409816195564598703999090137 | [
[
2.58733657,
4.05375528,
5.70917582
],
[
0.21980361,
0.12659849,
3.35236696
],
[
2.71214415,
2.71675282,
3.39814689
],
[
1.43254787,
3.36973727,
3.72747872
],
[
1.2449895,
5.26826136,
7.5789472
],
[
1.22487987,
5.66598346,
... |
CO_1145886933083497578968696 | 11458869330834975789686965173220441035072360624453946143827085666475469629862365068386558894342350118804133486559098340725967771571805393138291653929139020 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.4894140910037996,
0,
-0.2058442411429743
],
[
-0.1736798540034272,
5.611077846079083,
-0.6842308891404025
],
[
0,
0,
9.0677
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_70"
] | null | null | null | null | 2074348101385657651733976520617164326510439831582190363515426850829091097496173943184112886664017477643436697906851406262982422526340361859644454632201520 | [
[
0.17698417,
3.25541208,
4.88313233
],
[
0.97682659,
1.28773389,
1.84754954
],
[
1.6411276,
2.22595509,
6.80376804
],
[
1.7291336,
4.74966091,
8.17162791
],
[
0.32061018,
5.46434737,
6.26671758
],
[
1.40284182,
5.25313092,
... |
CO_1274669446136695814065367 | 12746694461366958140653670239089603003861357098243091670349646258859630781040438453648850056456957462760010391092944207165569963948176916593743051699666790 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.414354221760343,
0,
-0.3350390902089021
],
[
-0.2260915113639242,
7.92118516414833,
-1.4975713151825856
],
[
0,
0,
8.19724
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_71"
] | null | null | null | null | 11825900287820418983771044697607978804120194865095571610600290211453251233256587972769026871792523458132148847941490450040592533429869715133225062682017583 | [
[
0.63542693,
2.57193207,
6.10968102
],
[
0.86898408,
2.57881993,
-0.45961635
],
[
0.34164137,
6.27528329,
3.92435813
],
[
1.72435233,
4.63436043,
5.04428691
],
[
1.54278735,
6.9856425,
3.71520735
],
[
0.24098349,
2.04594367,
... |
CO_7830896629629232578684642 | 7830896629629232578684642125770258313406335729088078692571390897276481970434499748556227772390783792685222741942633171592091688178512442684530265107832825 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
3.6922853466925503,
0,
0.730785472419556
],
[
-0.13979240661049616,
5.419964126378358,
1.4379442881856432
],
[
0,
0,
6.35544
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_72"
] | null | null | null | null | 13188054968023282462936753152116928714840362366985224621311434637899960895811231859206243530326907092777302320616395746501167749711670608772954487873059337 | [
[
2.1340738,
1.06554516,
6.95896022
],
[
0.20359933,
5.06479377,
1.44821342
],
[
0.33923503,
0.28447278,
2.28438263
],
[
3.45155757,
4.50923281,
3.59409208
],
[
2.12416656,
4.01743025,
6.15600613
],
[
1.69458985,
3.37283761,
... |
CO_1083580590939213378638607 | 10835805909392133786386071392884877137499762141903107523772294291310201743939523626920975969306761449773718048714481603433442956140071944387350512761872212 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.4653615059342084,
0,
-0.2046386831901857
],
[
-0.6712788692297565,
6.2341165995729915,
-0.10895004659972352
],
[
0,
0,
8.67538
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_73"
] | null | null | null | null | 10409522294913829913488001737464594290795287741155549104194854356154842156437010299149885879713666864392834366832446192239789973263687285055985441637704088 | [
[
2.07368879,
1.69292692,
4.53608989
],
[
-0.18038383,
3.15530997,
5.01331567
],
[
1.22608403,
5.24545341,
4.53853088
],
[
1.35705434,
6.23266474,
0.69264494
],
[
0.46093128,
4.32241383,
1.58268948
],
[
0.73071173,
0.4439446,
... |
CO_1274971860164441042341805 | 12749718601644410423418053175387521353770628808440226090592440426974674925861791612986847123397966627630467878642652916468577163241356440292494785718253743 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.561669540659297,
0,
-0.11207380986825541
],
[
-0.9351970048598781,
6.872876599403723,
-0.8478689032331833
],
[
0,
0,
7.16618
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_74"
] | null | null | null | null | 3585657769664393638944520523454151401678485385935230919117462502758999704285849880562798514723154268997483164053675057172160249530416833926777079852938627 | [
[
-0.08284041,
5.92124725,
2.68924433
],
[
0.2166314,
1.62466191,
1.94254926
],
[
0.46947691,
6.66255895,
-0.32747953
],
[
1.49132326,
0.79114418,
1.63430793
],
[
1.52088329,
3.49191966,
6.32604093
],
[
1.51268264,
2.52200702,
... |
CO_8893330977460821213702416 | 8893330977460821213702416971567113103522651969730072142201819925607865766627485808355360753600848922086075316440984785564587884036978934712146773845477567 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.477782463903211,
0,
0.1005051937649854
],
[
0.9355086359004823,
6.305608922867654,
2.630228078135849
],
[
0,
0,
8.2411
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_75"
] | null | null | null | null | 11030881776969349485713778747375255466673852353008357164855940617678321443747888226951742791342443311486751453729911175539751244736474978906912889216646056 | [
[
0.92015498,
1.57996269,
4.79615686
],
[
2.11694091,
3.03659827,
2.33983461
],
[
2.04874167,
3.92167706,
4.67289716
],
[
1.07108791,
3.42442966,
6.6520968
],
[
0.93610433,
0.03791777,
1.35485586
],
[
1.77731342,
5.44954754,
... |
CO_4942474645749196516371203 | 4942474645749196516371203215734540797634075364440560947719980392624274802785808282100033540119275360382285128590840702142183896047717364915712550191377005 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.4559942096423897,
0,
0.22795031191699175
],
[
0.8932280890319316,
6.329523280794486,
2.295795276863045
],
[
0,
0,
8.097637960095435
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_76"
] | null | null | null | null | 4975957195077982052115913943531650860254643026882311741694936188528545897979291802539866364237658674152024085630356751989533535146416087242802698104441723 | [
[
0.59095807,
2.93320015,
3.98732304
],
[
2.76262672,
2.33181353,
8.37206862
],
[
1.26565665,
4.73929524,
8.28701167
],
[
2.66953227,
6.02907233,
6.58552028
],
[
2.04737083,
4.17199267,
2.38875962
],
[
0.37996574,
0.99114258,
... |
CO_6412839633293809409251840 | 6412839633293809409251840758821673677131058505532578659970351148267610735330472562350893777406308939321936324536866405532490097200322924619210898300372399 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.444680351430807,
0,
-0.006868437096362058
],
[
-0.01188376670168523,
6.474535703525138,
-1.6979165793015907
],
[
0,
0,
9.306616511334493
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_77"
] | null | null | null | null | 297213687952280043885889896820798759724420857642691978823038877732431091252270314398899950620453223550089767750798913360765251629117729436189705761345060 | [
[
2.27281385,
6.38509271,
-0.65508174
],
[
1.08693736,
4.23576382,
5.11460152
],
[
2.2906934,
3.90747236,
2.96521277
],
[
1.05325624,
6.2315761,
6.5225758
],
[
2.30360531,
4.62255763,
4.31496548
],
[
1.04747703,
6.37730339,
... |
CO_4426041077556489374120241 | 4426041077556489374120241602519866110524748203927983995815277066643424651384360266731407414544482974496427326987822314915699124811970447539463421763711378 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.4362686832620013,
0,
-0.3708331860241628
],
[
-1.4815517479510278,
6.276538465336666,
-1.5607822604298318
],
[
0,
0,
8.166391587509878
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_78"
] | null | null | null | null | 6798477177132721988242050833910786077053329695414834232286555758956763451816250682973755131533496485429060996577649335156768903292471788875119283899686640 | [
[
-0.37859721,
1.95547012,
6.11321706
],
[
0.51949791,
2.05862961,
3.74109438
],
[
-0.53646878,
4.6011128,
5.04912036
],
[
0.18803119,
3.59213828,
1.49370988
],
[
0.3609035,
6.24341554,
2.67184227
],
[
1.00769473,
3.76415266,
... |
CO_1057936833568107858243190 | 10579368335681078582431908369807049420915586441504270323489592016383501739662440375054618658390304417417609423325666636505930154644016577004237302891388184 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
3.3496428692109275,
0,
-0.24852760660414178
],
[
-0.04757007959928151,
3.4012359002932806,
-0.2540183451703328
],
[
0,
0,
11.35136
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_79"
] | null | null | null | null | 3653336324614678891554931378875545375866174858231714421273431856736033887054665762706698951429335797333372699496303577418387421567672398464942870474045472 | [
[
0.4109739,
0.82112613,
0.83159593
],
[
3.2047766,
3.05191799,
8.04740847
],
[
1.27496464,
2.25233042,
5.08331492
],
[
1.01403694,
0.77846875,
8.37934493
],
[
1.07077441,
0.35677965,
2.12736857
],
[
1.45434385,
1.32726534,
... |
CO_1052645197701600064863930 | 10526451977016000648639303473314863938051690485864543235003652469540894051604478486656468483584296569425477467959467708097531875522456855496733910365299439 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
3.2602787949822303,
0,
-0.397901193626273
],
[
-0.3825837574272081,
5.21259733417062,
-0.6892546679205283
],
[
0,
0,
8.75563
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_80"
] | null | null | null | null | 6856601549349134883502831984994010939010232363399885536081197843317251027156181405705316552778087436359868772255753031556140895496811307468086518377864097 | [
[
0.91195238,
3.17599083,
4.8562595
],
[
0.2161542,
1.44891154,
1.42893423
],
[
0.52430193,
2.15298483,
3.83155268
],
[
-0.02623233,
4.38301153,
5.26009405
],
[
2.5488786,
0.63855949,
7.43498884
],
[
1.0766081,
0.36552823,
1... |
CO_1140141404380168663786771 | 11401414043801686637867713711940316967729083276947860301713618928852544555482056165728119396517562134455821504795115349457230472588630867403215531603766512 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.4575028307979223,
0,
-0.08693421777526911
],
[
-0.34996997359822146,
7.034034176448511,
-2.926196135708265
],
[
0,
0,
8.075292295231149
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_81"
] | null | null | null | null | 582467854795407031685067767468428467254533236421688855074443171891230308106839742892162435923013335767428064770998366462598080913224692256182293024569350 | [
[
2.09605661,
5.32105665,
-1.68100838
],
[
2.12853587,
3.97776905,
6.32998126
],
[
1.03713175,
2.3587084,
-0.32086732
],
[
0.88199545,
2.10240852,
5.33321364
],
[
1.3142989,
4.57611255,
0.96051085
],
[
2.08655869,
1.23510001,
... |
CO_3345810488407201577924850 | 3345810488407201577924850322930717014539479734795542111793668709952412331213891267578160831952470469882961957797302552729983088132845326978443130827786724 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.448423590268181,
0,
-0.011372120218704432
],
[
-1.2227990362193861,
5.931601346981918,
-1.0208048614055696
],
[
0,
0,
10.342336783141398
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_82"
] | null | null | null | null | 7111483604258451746418773900073373620840987187009880574057353433533655579826597530829217402138790108316467264203098365618310424732455056084429570690748024 | [
[
0.18465932,
0.90790893,
10.16346177
],
[
1.38166292,
3.61264067,
7.53643417
],
[
1.42108819,
2.4183739,
1.23711441
],
[
0.18760542,
5.81455472,
4.90809033
],
[
0.17199998,
1.80623418,
8.84362692
],
[
0.20281211,
5.81192316,
... |
CO_7788918864106290057885376 | 7788918864106290057885376019767311768215373342945503590060481481507623581199393525801887147673366851264142682797206260834433159683404174188852808778039592 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
4.069904533696972,
0,
0.2762622295805855
],
[
1.8645497669296536,
5.585325024991822,
1.1930222348064887
],
[
0,
0,
7.024259999999999
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_83"
] | null | null | null | null | 11615841094279855401042519235946201073631863994719562870672253232811670007206359056385876945815232546945758653085288774676063992902315297331051152654382887 | [
[
3.74526301,
4.34322453,
3.09201104
],
[
4.39485083,
1.25469523,
3.01675222
],
[
3.51636426,
0.35223243,
2.41467267
],
[
0.77458822,
1.76690333,
7.29618693
],
[
2.76699181,
3.63361731,
7.76117429
],
[
1.21739565,
2.26829857,
... |
CO_1117878172562633624679683 | 11178781725626336246796839507897330222341640861314440608698894688462014867726030763880744236439823072093523075605322041060053445032592766857081437034352562 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
3.3557689935141957,
0,
0.44806613872141865
],
[
0.7522915803752602,
4.018050867533486,
0.6609646931643831
],
[
0,
0,
11.066833459939486
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_84"
] | null | null | null | null | 7290995990199570849601250751577077565858295445156094239533901649062848121390523051779688898627945332504326863706770765675489401225633193823844759563519702 | [
[
0.44354262,
0.46568221,
11.10779196
],
[
3.13156261,
2.47019815,
8.63930079
],
[
1.57822135,
2.48106951,
10.50257641
],
[
1.12668868,
0.44518613,
5.72844135
],
[
3.15930273,
1.11346546,
1.53676767
],
[
1.49642696,
2.79148925,
... |
CO_1256222354745097143632517 | 12562223547450971436325170955011508134604989276977098517117689911879056167483868795820303640917862050675147552945883569669996510683981436912325905866246830 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
4.582568799095961,
0,
-0.44422922467145554
],
[
-1.4110779223095207,
4.763866953438915,
-0.9055726603665113
],
[
0,
0,
6.28455
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_85"
] | null | null | null | null | 12460826432458723462406243073432002346983050013154865949413100447077413540484112080163181904285401758081266081898337614341320414499808668784335871656922358 | [
[
3.52557467,
2.35266194,
5.27112705
],
[
0.5693136,
4.14432286,
4.06037396
],
[
4.03708788,
0.08808452,
3.26045983
],
[
3.06307498,
4.75200759,
0.94355806
],
[
0.20351986,
2.79481311,
2.122928
],
[
-0.42535761,
3.10932284,
... |
CO_8669852860591470855461987 | 866985286059147085546198745287103058362930621199798691301101918792630235278559091364837400636585046041612897789591812228844585574329355778565859995625554 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.434554518948348,
0,
0.13291353079417592
],
[
-0.08372864245492395,
7.099988118719793,
3.715167619650874
],
[
0,
0,
8.349763839104133
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_86"
] | null | null | null | null | 8273976858765179007344101664207334842608146320560288502145995716820174562329300889577216354483479103536980123867542146934573225410121461599792139800122261 | [
[
2.29570366,
5.50297792,
6.82970036
],
[
2.219441,
3.1203517,
5.68210331
],
[
2.1696817,
1.17009011,
1.14167687
],
[
2.26802298,
4.32566251,
3.26880755
],
[
0.94670007,
2.22426007,
7.50659668
],
[
1.02004354,
3.55968079,
5.... |
CO_7755449673165247034453529 | 7755449673165247034453529843986342392452059008695350991526762303560183148193438744306659619227883278059971774143972729636112960746588410160028851850658849 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
3.4971575965532167,
0,
0.29490732403608866
],
[
1.4372924021993891,
4.460298080501652,
0.748385913318259
],
[
0,
0,
10.084152741349735
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_87"
] | null | null | null | null | 7980088880992210182377316446392013085545343817564717667487375209304957938558975985509205479179783708482509631677170579582618320611782327207027580700278572 | [
[
1.90167867,
2.59679843,
2.47381739
],
[
2.07494019,
3.51550173,
7.09453161
],
[
1.54366919,
1.7814794,
8.73557184
],
[
1.48993346,
1.20992231,
2.28730878
],
[
0.87862696,
0.77984828,
3.63576436
],
[
4.19705543,
2.71145325,
... |
CO_8236685672821319507169505 | 8236685672821319507169505122271723835621740650529563871670740682444687421009533236678678452230888588064979523655578016288335112510963898360957913765508954 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.4588354882755645,
0,
-0.19083619807747
],
[
-0.35935673509407295,
6.0088024679900105,
-0.39523649580939535
],
[
0,
0,
10.179654798973006
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_88"
] | null | null | null | null | 1954284125857597470580647239621749998240958758949125313246766315179367591651948228667601853030028820711508131949868526983422552306734524097413851733225272 | [
[
1.75573064,
3.8941972,
2.15668027
],
[
0.44252674,
5.96375808,
2.49532748
],
[
2.08465991,
5.73854396,
5.25586627
],
[
1.02066281,
3.68883226,
-0.22822636
],
[
-0.07102145,
3.33092677,
7.93000307
],
[
1.66617301,
5.32374563,
... |
CO_8471264579421828765565803 | 8471264579421828765565803939161355456295537411955495694114042677825546129245268231037605833484754526994617076505875795424003064110645995635382262476869952 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
3.3691844720884605,
0,
-0.06387986488717434
],
[
-1.3972642838288043,
4.455093195648044,
-0.03632028808893942
],
[
0,
0,
8.35307
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_89"
] | null | null | null | null | 6262677202254178051135785771580706324998731836787176325258504486101524829380643181049682006909156858747498829732137275066715303112969261661784797664961471 | [
[
-0.5686579,
3.34372565,
6.07331748
],
[
2.12775579,
3.45050973,
2.86832073
],
[
1.18114716,
2.03990008,
4.90966416
],
[
0.4780624,
3.3668605,
5.0229462
],
[
0.13753797,
3.81282023,
7.26374087
],
[
-1.03372443,
3.80316671,
... |
CO_2926719943498483472886958 | 2926719943498483472886958848616436482306352681617867477388756160927097082056058050559995842037125138676870559756168819742142466095420349910684318052026224 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.410721945961981,
0,
0.28813363853823104
],
[
-0.24399440997121977,
6.378072701607272,
1.947405208223218
],
[
0,
0,
10.234008683829265
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_90"
] | null | null | null | null | 7661482948784046728695652565585977564857089394966989144818630534064537326534354503435341866285318105605103277913761858703051776913948613906575538290170059 | [
[
1.01236839,
5.63244615,
9.9931134
],
[
2.22768986,
0.01913307,
10.13792486
],
[
0.15134411,
1.71800072,
7.18611785
],
[
-0.12171805,
5.26591694,
9.26749203
],
[
0.78352587,
0.34031202,
1.82012089
],
[
1.7402871,
0.66936087,
... |
CO_3997827257787025778509818 | 3997827257787025778509818228165261287552895776484193283746063570641485275922562049597742288230689479436068599599920021634500296259792877002159321260500026 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.473275396879741,
0,
0.2256754609818274
],
[
0.45052361291411036,
6.837549774717052,
2.1851407448888946
],
[
0,
0,
7.66658
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_91"
] | null | null | null | null | 3845486658294803765782184278081308528653101379876740407887242377640456686951400903193719786542920374489049701263721675626834210604598246861602682560732117 | [
[
1.60814626,
3.72379238,
7.09888351
],
[
1.87812636,
0.64956887,
4.25311632
],
[
1.1137854,
0.61400664,
1.86954665
],
[
0.12252915,
0.00701177,
7.29270431
],
[
1.73288398,
1.95764281,
4.8093087
],
[
0.21657147,
1.54068765,
... |
CO_3173664204264386762623844 | 3173664204264386762623844262914618759624218998637013717301372126821241112261087308508085162136379076846707821074081752547554342699862938572330173089351746 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.462185481337341,
0,
0.16828885997476598
],
[
0.11652608907208575,
6.401802101511875,
2.0137614577063774
],
[
0,
0,
7.9685
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_92"
] | null | null | null | null | 4216586898335109510361183837811096593147378840359202076011050195562153505716134473716687387609951401803105653434003352108482968493294079256895502485061899 | [
[
1.06861777,
3.45948699,
5.09744158
],
[
0.94971233,
1.71543995,
7.31469002
],
[
1.09429007,
2.61709786,
1.59225246
],
[
2.24546552,
5.94080897,
9.17512841
],
[
0.11213456,
0.02754952,
2.89823901
],
[
2.3269883,
3.54325406,
... |
CO_3914068530879871760140543 | 3914068530879871760140543013000112711364353887402569178756878201683468389725517070112520095631590034764575640718802827429025539531212063435769453985005810 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.4694952586685854,
0,
-0.35876753450302423
],
[
-0.3501939201606084,
6.135722830730026,
-2.3615250090245565
],
[
0,
0,
8.66389833303043
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_93"
] | null | null | null | null | 5569296280568045678861816497014646145715473672215697541166596105780839762922219843080256357482329411844440272975838499623338933392905710075354952756301854 | [
[
0.58208365,
2.56192695,
-0.11634114
],
[
0.70937306,
1.2437317,
0.73752356
],
[
1.36719074,
6.03425086,
5.26231799
],
[
2.2102673,
2.40243669,
2.42155957
],
[
1.51741729,
1.80150289,
6.25986323
],
[
1.2638666,
4.81545462,
... |
CO_8405950785324578903232199 | 8405950785324578903232199854188826250339366091018154726926688936920859656724511926641922902932374010719927213898745252877255626705834806820977469933123885 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
4.513306769103388,
0,
-1.5316533101082412
],
[
-0.8660744231928036,
4.658961871593374,
-1.0578718017465094
],
[
0,
0,
6.868498272824088
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_94"
] | null | null | null | null | 8625776531451462324526973495345093105771750329190576836782912499911018213138273562327658656772189724012181515372929619030974240773591814484348730106244495 | [
[
3.31456833,
1.47792129,
5.20197948
],
[
-0.24467473,
3.62601058,
-0.0704305
],
[
-0.00231472,
2.2137574,
-0.53742978
],
[
2.20898936,
2.47223074,
-1.34963264
],
[
1.91776831,
1.79229499,
0.92216764
],
[
2.80924693,
3.91020036,... |
CO_5507483067315766088467779 | 5507483067315766088467779973207180330406658364806122478851168221526805440190706958514130103443764648634063814586414633308968082237544837422135210094316011 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.443577698565335,
0,
0.14026329196957782
],
[
1.0911726875937187,
5.853088279879023,
1.1329216792842836
],
[
0,
0,
10.29174468195184
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_95"
] | null | null | null | null | 10809454192246301555317288684737389058225704940651176931000074290324522226500316942145320320022649108671172046167470899365729779219097822405800711697758599 | [
[
1.56421726,
4.97413294,
5.63323868
],
[
1.14362939,
2.79423485,
8.88411775
],
[
2.14967487,
1.15128637,
10.40540742
],
[
2.42717074,
4.79643704,
9.29217294
],
[
0.87734854,
0.79045401,
0.63577494
],
[
2.99269015,
5.70784202,
... |
CO_1193417645988471572972389 | 11934176459884715729723890321075035400218091684271561710634269794784990876711148824562172103445253305342053432377278073787400065768360381303104404129777356 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.482849784553203,
0,
-0.001034332689749924
],
[
-1.2238552570701735,
6.054492300874396,
-0.34685834398836407
],
[
0,
0,
8.572052127528593
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_96"
] | null | null | null | null | 6291992844423396340579902440232924270927157071525605940400449851725503039752934106047145889839264744011152558497156640385496869336189878228013867087072049 | [
[
2.01075093,
0.37971293,
3.11396331
],
[
-0.4495063,
5.91654433,
4.9174378
],
[
0.77813301,
1.80116654,
6.73692895
],
[
-0.45672814,
3.76477304,
7.4923102
],
[
0.77795694,
2.40870572,
5.3489851
],
[
-0.45181623,
3.06039619,
... |
CO_5919854218620096061834427 | 5919854218620096061834427188850992730999307349396530123736745085256261777276210205938538441767613523544671119153204741523215584954549154205237244085892537 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.453464733092055,
0,
-0.25518560592935463
],
[
-0.8992657414656378,
6.982992445685181,
-2.1971084155839837
],
[
0,
0,
7.48994
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_97"
] | null | null | null | null | 13296103195653425269155060670685354315652126820847748274580021490354285618505651225162085286065901539947398673225148579700312336904293763849009845352908012 | [
[
0.8893761,
0.42980605,
5.16521022
],
[
1.71962429,
3.91232319,
3.91000466
],
[
0.45115513,
0.69886019,
3.71886183
],
[
-0.22182923,
2.27246895,
6.63756058
],
[
2.21413361,
0.75366648,
5.86947253
],
[
0.25499458,
5.8311396,
... |
CO_1101078729622488867434500 | 1101078729622488867434500932546200835440187086195724798962672565997477093989152104262936343828827803269336158849026616733109254074445428350560985981460157 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.446615773181132,
0,
0.39951397825519097
],
[
-0.2746221754252587,
7.210870599304881,
1.686820932329562
],
[
0,
0,
7.689962020681753
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_98"
] | null | null | null | null | 4876199862286556312325136355216486857018785783617609395443502372583096763952866903171317221221774099246575976906033034253028740371025618483987711025108888 | [
[
-0.07167117,
3.27439952,
2.06102668
],
[
0.68557997,
5.33878322,
5.07444865
],
[
0.33854305,
4.76457756,
7.14238803
],
[
1.59658475,
5.70164324,
7.14175663
],
[
1.17687705,
2.45059483,
2.09953882
],
[
0.19202201,
0.71976329,
... |
CO_5695173984683521091549026 | 5695173984683521091549026873772893731171152738608889806847801068350333194410819746677703402886000585725312738971791157944463787717311462989526434685216609 | 2025-05-14T22:14:39 | null | C22 | C | A | [
"C"
] | [
1
] | [
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6,
6
] | 22 | 1 | 3 | [
[
2.4479791066882846,
0,
-0.15194251978175005
],
[
-0.10863122741188612,
5.212621011844716,
-0.9831373052085329
],
[
0,
0,
10.292301380220396
]
] | [
1,
1,
1
] | [
true,
true,
true
] | [
"carbon-24_unique_high_to_low_train_99"
] | null | null | null | null | 585499144851730302993470004956612724379512892540591497180407605085940385295289243291103047268094133838092001456491457321656787440780108045555845901986797 | [
[
1.9304284,
0.27864915,
1.4732666
],
[
0.48895395,
1.98883906,
0.20718038
],
[
0.85767467,
3.83502103,
4.45789654
],
[
1.60096265,
1.73017869,
9.60364415
],
[
0.71912507,
4.07108651,
1.9987187
],
[
1.34504404,
1.58776947,
8... |
End of preview. Expand
in Data Studio
Dataset Name
Carbon-24 Unique
Citation
Please cite Martirossyan et al. (https://arxiv.org/abs/2509.12178) if your work utilizes any of the datasets referenced here.
Description
The carbon datasets and dataset splits below have been cultivated from carbon-24 (Pickard 2020, doi: 10.24435/materialscloud:2020.0026/v1).
carbon-24_unique
Totaling 4,250 unique carbon structures cultivated from the carbon-24 dataset. Duplicates were identified using StructureMatcher, which allows for improper rotations to find mappings between structures, and as such one of each enantiomorph pair was also removed in the creation of this dataset.
carbon-24_unique/carbon-24_unique_train.parquet: 2550 structures
carbon-24_unique/carbon-24_unique_val.parquet: 850 structures
carbon-24_unique/carbon-24_unique_test.parquet: 850 structures
carbon-24_unique_Nsplit
Identical to carbon-24_unique, but split according to the number of atoms per unit cell N. The splits were done in both a low-to-high and high-to-low fashion across train, validation, and test set construction (in that order).
low_to_high/train.parquet: 2280 structures with N=6–10
low_to_high/val.parquet: 1159 structures with N=12–14
low_to_high/test.parquet: 811 structures with N=16—24
high_to_low/train.parquet: 2633 structures with N=10–24
high_to_low/val.parquet: 792 structures with N=8
high_to_low/test.parquet: 825 structures with N=6
Additional Information
The carbon-24_unique dataset was used with the following datasets for the 2025 NeurIPS Datasets & Benchmarks:
carbon-24_unique_with_enantiomorphs
Companion dataset to carbon-24_unique, containing enantiomorph pairs discovered within the carbon-24 dataset.carbon_X
480 carbon structures of duplicates which have the same cell shape and same number of atoms per unit cell (N=6), with different translations X of the fractional coordinates.carbon_NXL
353 carbon structures of duplicates which have different numbers of atoms per unit cell (N=6—16), different cell shapes L, and different translations X of the fractional coordinates.carbon-enantiomorphs Cultivated from the carbon-24-unique-with-enantiomorphs dataset, containing: train.xyz - 80 structures which are chiral; and test.xyz - 80 of the same structures with opposite handedness.
Files in the 'supplemental' folders contain a map of material IDs from the original dataset at https://github.com/txie-93/cdvae.
Additional Datasets
perov-5_polymorph_split
A new split of the perov-5 dataset which contains 18,928 perovskite structures within which there are only 9,646 unique compositions (9,282 compositions show up twice in the dataset, while 364 compositions show up once). The new splits ensure that polymorph pairs are grouped within the training, validation, and test sets.MP-20-polymorph-split
A new split of the MP-20 dataset which contains 45,229 structures of varying composition and structure, within which there are only 37,217 unique reduced compositions.
The new split ensures that polymorph pairs are grouped within the training, validation, or test sets, and that the N-arity of the split distributions matched that of the combined one. Materials IDs are included in the parquet files.Alex-MP-20_Polymorph_Split A new split for performing crystal structure prediction on the Alex-MP-20 dataset (https://github.com/microsoft/mattergen/tree/main/data-release/alex-mp) which contains structures from MP-20 (Jain 2013, doi: 10.1063/1.4812323) and Alexandria (Schmidt 2022, doi: 10.24435/materialscloud:m7-50). This dataset ensures that structures of the same composition remain together in the same split.
License
CC-BY-4.0
- Downloads last month
- 6
Size of downloaded dataset files:
8.07 MB
Size of the auto-converted Parquet files:
8.07 MB
Number of rows:
12,750