Dataset Viewer
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_1320956991410339860191421 | 1320956991410339860191421570073595216875423494092934662022118632999851780718545857796443728993023264402320702704275908049166103537229941755491190111020244 | 2025-05-14T22:34:44 | null | C10 | C | A | [
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CO_9472931447629656647154931 | 9472931447629656647154931261450909815733272760847371380227117798410881866062384903604880987772285115042579042733099486809304541914063651195493792982184909 | 2025-05-14T22:34:44 | null | C6 | C | A | [
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CO_6480878360747326359538008 | 6480878360747326359538008444094616955156892813401651117088377813041024553183933456948559618446776271612601259510515965374579305886723550002759523861689520 | 2025-05-14T22:34:44 | null | C6 | C | A | [
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CO_7166404179476890629936389 | 7166404179476890629936389984362001206958295517568724102362964320015404372782779080876650506971610493905790292921996935962214279778858810743113128653892354 | 2025-05-14T22:34:44 | null | C8 | C | A | [
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CO_3884148137581711523327808 | 3884148137581711523327808702427403184216462004576989440262601087493875559140780878477332404456844909350847327873513443059036997186599005553143291256567552 | 2025-05-14T22:34:44 | null | C8 | C | A | [
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CO_8932295047769420296743337 | 8932295047769420296743337419739771961740621283653151587084112648710410259871152052480246630722337790589332474642775910543212807356532424578059780660139280 | 2025-05-14T22:34:44 | null | C8 | C | A | [
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CO_8725208493143700233990930 | 8725208493143700233990930387191337668957575015143154418582262766895268873922453154743524422618625958640257371151486286943337491486754763254457755962633765 | 2025-05-14T22:34:44 | null | C8 | C | A | [
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CO_2109589820994131249191660 | 2109589820994131249191660647922931074503062641778191231996994826714640698494422816181743274933544354353851859020342786947309105358732925639390808375517782 | 2025-05-14T22:34:44 | null | C6 | C | A | [
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CO_1129501276077477469169179 | 1129501276077477469169179179823046438147712601891319976933398447300556854882287612450532007167920111159667565450361375072517769261692393499924063608956043 | 2025-05-14T22:34:44 | null | C6 | C | A | [
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CO_7015076205687617034998588 | 7015076205687617034998588854298041388028302957072112444905612900319764213862376011407042247322269242469284201230963672893352446339779161805519757024133233 | 2025-05-14T22:34:44 | null | C8 | C | A | [
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CO_7342117368908503644862359 | 7342117368908503644862359112426374678988712251787073035928132967251810324798497098487660077474395689734180910075733996337030549946311065582984044670823621 | 2025-05-14T22:34:44 | null | C10 | C | A | [
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CO_9387772795177151286869350 | 9387772795177151286869350273071143372558203144592428632073189283006047783501488694403628765270572192787896204690612062742876192697904986821528619283170521 | 2025-05-14T22:34:44 | null | C8 | C | A | [
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CO_1022194859569668436707193 | 10221948595696684367071932618492954686126794448405238464982885572975200490416427048363489874859276223903936017175514920623967429434130639234051129186316177 | 2025-05-14T22:34:44 | null | C6 | C | A | [
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End of preview. Expand
in Data Studio
Dataset Name
Carbon NXL
Description
The included file of duplicate carbon structures is provided without splits for use in training of minimal “overfitting” testing cases
carbon_NXL has been cultivated from carbon-24 (Pickard 2020, doi: 10.24435/materialscloud:2020.0026/v1).
carbon_NXL.parquet: 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.
The 'supplemental' folder contain a map of material IDs from the original dataset at https://github.com/txie-93/cdvae.
License
CC-BY-4.0
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