Dataset Preview
Duplicate
The full dataset viewer is not available (click to read why). Only showing a preview of the rows.
The dataset generation failed because of a cast error
Error code:   DatasetGenerationCastError
Exception:    DatasetGenerationCastError
Message:      An error occurred while generating the dataset

All the data files must have the same columns, but at some point there are 2 new columns ({'unique_id', 'Chemical Family'})

This happened while the csv dataset builder was generating data using

hf://datasets/suchonaakter/NaCAM-Atlas/gen2_voltage_ge_3_with_ids.csv (at revision 1c5ae16bdd9b1e0a0ddf4d7df71098735824c6ab), ['hf://datasets/suchonaakter/NaCAM-Atlas@1c5ae16bdd9b1e0a0ddf4d7df71098735824c6ab/gen2_final_voltage_predictions.csv', 'hf://datasets/suchonaakter/NaCAM-Atlas@1c5ae16bdd9b1e0a0ddf4d7df71098735824c6ab/gen2_voltage_ge_3_with_ids.csv']

Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)
Traceback:    Traceback (most recent call last):
                File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1848, in _prepare_split_single
                  writer.write_table(table)
                  ~~~~~~~~~~~~~~~~~~^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/arrow_writer.py", line 765, in write_table
                  self._write_table(pa_table, writer_batch_size=writer_batch_size)
                  ~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/arrow_writer.py", line 773, in _write_table
                  pa_table = table_cast(pa_table, self._schema)
                File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2378, in table_cast
                  return cast_table_to_schema(table, schema)
                File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2306, in cast_table_to_schema
                  raise CastError(
                  ...<3 lines>...
                  )
              datasets.table.CastError: Couldn't cast
              serial: int64
              unique_id: string
              source_database: string
              source_id: string
              formula: string
              Chemical Family: string
              mace_voltage_mean: double
              chgnet_voltage_mean: double
              et_voltage: double
              rf_voltage: double
              gb_voltage: double
              xgb_voltage: double
              classical_mean_voltage: double
              classical_std_voltage: double
              -- schema metadata --
              pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 2048
              to
              {'serial': Value('int64'), 'source_database': Value('string'), 'source_id': Value('string'), 'formula': Value('string'), 'mace_voltage_mean': Value('float64'), 'chgnet_voltage_mean': Value('float64'), 'et_voltage': Value('float64'), 'rf_voltage': Value('float64'), 'gb_voltage': Value('float64'), 'xgb_voltage': Value('float64'), 'classical_mean_voltage': Value('float64'), 'classical_std_voltage': Value('float64')}
              because column names don't match
              
              During handling of the above exception, another exception occurred:
              
              Traceback (most recent call last):
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 1369, in compute_config_parquet_and_info_response
                  parquet_operations, partial, estimated_dataset_info = stream_convert_to_parquet(
                                                                        ~~~~~~~~~~~~~~~~~~~~~~~~~^
                      builder, max_dataset_size_bytes=max_dataset_size_bytes
                      ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                  )
                  ^
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 948, in stream_convert_to_parquet
                  builder._prepare_split(split_generator=splits_generators[split], file_format="parquet")
                  ~~~~~~~~~~~~~~~~~~~~~~^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1694, in _prepare_split
                  for job_id, done, content in self._prepare_split_single(
                                               ~~~~~~~~~~~~~~~~~~~~~~~~~~^
                      gen_kwargs=gen_kwargs, job_id=job_id, **_prepare_split_args
                      ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                  ):
                  ^
                File "/usr/local/lib/python3.14/site-packages/datasets/builder.py", line 1850, in _prepare_split_single
                  raise DatasetGenerationCastError.from_cast_error(
                  ...<4 lines>...
                  )
              datasets.exceptions.DatasetGenerationCastError: An error occurred while generating the dataset
              
              All the data files must have the same columns, but at some point there are 2 new columns ({'unique_id', 'Chemical Family'})
              
              This happened while the csv dataset builder was generating data using
              
              hf://datasets/suchonaakter/NaCAM-Atlas/gen2_voltage_ge_3_with_ids.csv (at revision 1c5ae16bdd9b1e0a0ddf4d7df71098735824c6ab), ['hf://datasets/suchonaakter/NaCAM-Atlas@1c5ae16bdd9b1e0a0ddf4d7df71098735824c6ab/gen2_final_voltage_predictions.csv', 'hf://datasets/suchonaakter/NaCAM-Atlas@1c5ae16bdd9b1e0a0ddf4d7df71098735824c6ab/gen2_voltage_ge_3_with_ids.csv']
              
              Please either edit the data files to have matching columns, or separate them into different configurations (see docs at https://hf.co/docs/hub/datasets-manual-configuration#multiple-configurations)

Need help to make the dataset viewer work? Make sure to review how to configure the dataset viewer, and open a discussion for direct support.

serial
int64
source_database
string
source_id
string
formula
string
mace_voltage_mean
float64
chgnet_voltage_mean
float64
et_voltage
float64
rf_voltage
float64
gb_voltage
float64
xgb_voltage
float64
classical_mean_voltage
float64
classical_std_voltage
float64
1
aflow
ICSD_Ag2Mo3O16Te3_aflow:7f3454403188e580
Ag2Te3Mo3O16
2.868144
2.663103
2.57051
2.45758
1.919475
2.320114
2.31692
0.246001
2
aflow
ICSD_Ag4Ge2O8Zn2_aflow:2c420dce7b20e22a
ZnAg2GeO4
0.631884
1.493195
2.216267
2.022329
2.244884
2.002495
2.121494
0.109774
3
aflow
ICSD_Ag4O8Si2Zn2_aflow:e885aec29cf45f69
ZnSi(AgO2)2
0.065564
1.2168
2.386433
2.203824
2.321264
2.09088
2.2506
0.113073
4
aflow
ICSD_Al10Ba2H2O18_aflow:59303eba7c915684
BaAl5HO9
0.859985
-1.104824
0.228233
0.341165
-0.655754
-0.437185
-0.130885
0.424589
5
aflow
ICSD_Al12Ca8H4O52Si12_aflow:a3ad51e4ae86dfb0
Ca2Al3Si3HO13
-0.061146
-0.876897
1.42586
1.046991
0.325838
0.814186
0.903219
0.398472
6
aflow
ICSD_Al12Li12_aflow:78f8cf98afe9e872
LiAl
0.05351
-2.551958
0.232125
0.371544
0.026296
0.537953
0.29198
0.187752
7
aflow
ICSD_Al1H1O10Si4_aflow:1b7525071825afc2
AlSi4HO10
0.020309
-0.027379
0.755148
0.974063
0.352699
0.924672
0.751645
0.244223
8
aflow
ICSD_Al1H6K2Li1_aflow:2bb4661e5d4b3632
K2LiAlH6
-2.857054
-2.184423
0.809134
0.777974
1.898716
0.682694
1.04213
0.496739
9
aflow
ICSD_Al1O4P1_aflow:f96aa328b7bfbf53
AlPO4
-0.734624
0.224579
0.874725
0.814501
1.090067
0.755321
0.883653
0.126429
10
aflow
ICSD_Al2Cl14Se2_aflow:308d6c83cece5368
AlSeCl7
3.280946
3.358401
2.188319
2.00252
2.681621
2.153275
2.256433
0.255214
11
aflow
ICSD_Al2Cl2O2_aflow:25bdf428f61bb47b
AlClO
0.434146
-0.288078
0.762681
1.074024
0.12492
0.599719
0.640336
0.342913
12
aflow
ICSD_Al2H2Li2O10P2_aflow:3fca9378eecec304
LiAlPHO5
2.764294
0.959768
1.575735
1.253982
1.808995
1.181783
1.455124
0.25246
13
aflow
ICSD_Al2H4O9Si2_aflow:18a557fea9ef05e0
Al2Si2H4O9
0.793124
0.193458
1.487973
1.619752
1.632778
2.087198
1.706925
0.22674
14
aflow
ICSD_Al2K2O16Si6_aflow:4da602f2688c7aca
KAlSi3O8
0.083258
-0.266113
0.783202
0.551326
-0.218398
0.522114
0.409561
0.376399
15
aflow
ICSD_Al2K2O16Si6_aflow:d0e8e936fa2f8fc8
KAlSi3O8
-1.161958
-0.458409
0.911293
0.545936
0.244648
0.60582
0.576924
0.236646
16
aflow
ICSD_Al3O12P3_aflow:32a3c522a0fd0a9b
AlPO4
-1.282285
0.094131
-0.084687
0.625423
0.001872
0.220741
0.190837
0.274491
17
aflow
ICSD_Al4Ba12H4O16_aflow:fb0390e8f905b145
Ba3AlHO4
-1.798938
-1.773827
0.5262
-0.259478
0.174619
-0.599625
-0.039571
0.426613
18
aflow
ICSD_Al4Br12_aflow:2c2da853212ac013
AlBr3
0.090451
0.225405
1.832752
1.873234
2.109724
2.099288
1.97875
0.126622
19
aflow
ICSD_Al4C4F20O12Sr8_aflow:2a596783b828e9c1
Sr2AlCO3F5
-0.578911
-0.933204
0.793747
0.726788
-0.805191
0.360085
0.268857
0.641699
20
aflow
ICSD_Al4Cl16Mg2_aflow:8caed547d347772d
Mg(AlCl4)2
0.232832
1.26963
1.226836
1.219939
0.856371
1.143053
1.11155
0.150953
21
aflow
ICSD_Al4Cs4O16Si4_aflow:014002f951e6ba1a
CsAlSiO4
-1.646208
-1.09861
0.481046
0.304714
-0.656952
-0.210745
-0.020484
0.446816
22
aflow
ICSD_Al4Cs4O16Si4_aflow:7fa09e58d13ae850
CsAlSiO4
-1.503508
-1.150353
0.728067
0.42043
-1.366767
-0.074226
-0.073124
0.799846
23
aflow
ICSD_Al4H4O16Si4_aflow:894598757c7cb674
AlSiHO4
1.792186
-0.384544
0.953507
1.394822
0.837424
1.554472
1.185056
0.297881
24
aflow
ICSD_Al4H4O8_aflow:18b93488ff26806a
AlHO2
0.266458
-0.900703
1.041633
1.557013
1.256034
1.727304
1.395496
0.264978
25
aflow
ICSD_Al4H4O8_aflow:1c1fff9e15dcd9ce
AlHO2
-0.289551
-0.68494
1.137398
1.632418
1.489851
1.641483
1.475287
0.20414
26
aflow
ICSD_Al4H8O18Si4_aflow:32affb6baaf684b0
Al2Si2H4O9
0.197581
0.273444
0.928468
1.605315
0.849461
1.917696
1.325235
0.450899
27
aflow
ICSD_Al4O16Rb4Si4_aflow:450946a8e92cebef
RbAlSiO4
-1.766271
-0.761705
1.078735
0.645513
-0.03942
0.260935
0.486441
0.419374
28
aflow
ICSD_Al4O6_aflow:d8838407a3904b8d
Al2O3
-0.814346
-2.730454
0.550313
1.120511
1.154833
0.917115
0.935693
0.240334
29
aflow
ICSD_Al8Ba4Ge8O32_aflow:a136780e46e451c4
BaAl2(GeO4)2
0.168126
-0.525595
0.896829
1.276542
1.520548
1.41042
1.276085
0.235395
30
aflow
ICSD_Al8Ca8H40_aflow:10b63aa4e67b8339
CaAlH5
-2.681192
-2.333794
1.122259
1.11418
1.016354
1.473288
1.18152
0.173533
31
aflow
ICSD_Al8F40Sr8_aflow:e56997bd36510758
SrAlF5
-0.908377
-0.982253
0.994186
0.955147
0.564261
1.055759
0.892338
0.192781
32
aflow
ICSD_Al8H24O24_aflow:09acc701b88d08f0
Al(HO)3
0.251632
0.168505
1.188141
1.666349
1.463956
1.997199
1.578911
0.29518
33
aflow
ICSD_Al8H24O24_aflow:3370be22a0652a2e
Al(HO)3
0.523332
0.125078
1.205304
1.656191
1.788281
2.003913
1.663422
0.292168
34
aflow
ICSD_Al8H24O24_aflow:d6907dd410631237
Al(HO)3
0.426294
0.157369
1.15003
1.669692
1.52292
2.004301
1.586736
0.306605
35
aflow
ICSD_Al8H6O30P6_aflow:d59d004c1ecc70e1
Al4P3(HO5)3
0.860146
0.110763
1.235912
1.501338
1.17146
1.841377
1.437522
0.263916
36
aflow
ICSD_Al8O20Si4_aflow:104617f1fd94b029
Al2SiO5
-0.591433
-1.61249
0.803096
1.108987
0.357595
0.952392
0.805518
0.280315
37
aflow
ICSD_Al8O32Si8Sr4_aflow:9a9f6a9a4ea5f7c1
SrAl2(SiO4)2
-0.400422
-0.79105
0.826826
0.93134
0.421907
0.636069
0.704035
0.194268
38
aflow
ICSD_B10Ca4Cl2H4O20_aflow:58055a569bc03be0
Ca2B5H2ClO10
-2.539752
0.50525
0.992455
0.94525
0.659774
1.154411
0.937973
0.178369
39
aflow
ICSD_B12Ca4H12O28_aflow:25e9827b9b8f2353
CaB3H3O7
-1.458799
0.313379
1.295386
1.152843
1.712336
2.321259
1.620456
0.453844
40
aflow
ICSD_B12H4Ho8O32_aflow:e5fe5467353d70a4
Ho2B3HO8
-3.586789
-0.176747
0.822225
0.40611
-0.436091
0.305535
0.274445
0.453659
41
aflow
ICSD_B12Li4O20_aflow:2f3baeaba8331eef
LiB3O5
-3.320392
0.803153
0.903501
0.99548
-0.168067
1.029719
0.690158
0.497641
42
aflow
ICSD_B12N12O12Sr12_aflow:e58523ddacdbf48a
SrBNO
-2.277845
-1.143709
1.057421
0.746461
-0.036855
0.724369
0.622849
0.403004
43
aflow
ICSD_B2Cd2Li2O6_aflow:5edb25404f602808
LiCdBO3
-1.475482
-0.096058
1.530813
1.679381
1.921173
1.506579
1.659486
0.164934
44
aflow
ICSD_B2Li2_aflow:64067954580b61a8
LiB
-3.918286
-1.308151
1.113565
0.956245
2.18768
1.300015
1.389376
0.476694
45
aflow
ICSD_B4Be4Ca2F2K2O12_aflow:580234dacd2994c5
KCaBe2B2O6F
-2.123287
0.335851
0.997773
0.780261
0.156686
0.415161
0.58747
0.324338
46
aflow
ICSD_B4Be4F2K2O12Sr2_aflow:c94bc1b1cd540423
KSrBe2B2O6F
-2.187123
0.188743
0.898063
0.787335
-0.103325
0.220599
0.450668
0.410289
47
aflow
ICSD_B4Bi4O16Pb4_aflow:951c422cf71bb73a
BiBPbO4
0.376103
1.346165
1.513132
2.059154
2.142739
1.980156
1.923795
0.243967
48
aflow
ICSD_B4Li4_aflow:aae853a7d634b71b
LiB
-3.728312
-1.28188
0.765281
0.690951
0.628565
0.654932
0.684932
0.051404
49
aflow
ICSD_B4Li6O12Sc2_aflow:513ca037b523a3c2
Li3Sc(BO3)2
-2.703483
-0.303125
0.874376
0.707889
0.184668
0.712818
0.619938
0.260077
50
aflow
ICSD_B4N4_aflow:0df4010c4c8a315d
BN
-5.94983
-0.576217
0.623611
0.885675
0.391878
1.259092
0.790064
0.322253
51
aflow
ICSD_B4N4_aflow:7b7f919191e3fb3c
BN
-10.562256
0.569391
1.125552
1.027188
0.978233
1.55546
1.171608
0.227879
52
aflow
ICSD_B4O2_aflow:073ae0b97c5e57b0
B2O
-4.196832
0.919636
0.102463
0.648685
-0.758046
0.99437
0.246868
0.661612
53
aflow
ICSD_B8Be4Ca4O20_aflow:b04898936c484009
CaBeB2O5
-2.481645
0.261218
0.806517
0.835211
0.35265
0.70049
0.673717
0.19204
54
aflow
ICSD_B8Ca4H12_aflow:3e2ed62b3fd5c9f1
CaB2H3
-2.73182
-0.738796
0.874086
0.924034
0.389337
1.151816
0.834818
0.277688
55
aflow
ICSD_Ba2Be2F2O8P2_aflow:3433db6fec857d0d
BaBePO4F
-0.422791
0.320474
0.273649
0.185588
-0.666599
-0.168297
-0.093915
0.369704
56
aflow
ICSD_Ba2F6H2_aflow:28a34c8f956c98f6
BaHF3
-0.306295
-0.173743
0.122948
0.216548
-0.323363
-0.047682
-0.007887
0.205303
57
aflow
ICSD_Ba3O15Ti6_aflow:3ff105885ff3c739
BaTi2O5
0.373734
0.10424
0.293061
0.700098
0.171277
-0.226769
0.234417
0.330521
58
aflow
ICSD_Ba4Bi4O12_aflow:c6ce5c164077139a
BaBiO3
1.997804
1.264528
0.818247
1.026954
1.877984
1.23143
1.238654
0.396974
59
aflow
ICSD_Ba4F8_aflow:471838f4e318cd45
BaF2
1.052536
-1.395176
0.880396
0.27636
0.543645
0.225181
0.481396
0.260174
60
aflow
ICSD_Ba4Ga8Ge8O32_aflow:1151a660146d2412
BaGa2(GeO4)2
0.151317
0.625642
0.927511
1.370675
1.531738
1.582658
1.353145
0.257897
61
aflow
ICSD_Ba4Ga8O32Si8_aflow:30cdf244ae76d18b
BaGa2(SiO4)2
-0.634243
-0.208108
0.818866
1.216701
1.525783
1.250014
1.202841
0.252064
62
aflow
ICSD_Ba4Li8O28P8_aflow:c6a27275625ef0f4
BaLi2P2O7
0.177515
-0.21082
0.606435
0.573254
-0.365692
0.253196
0.266798
0.390352
63
aflow
ICSD_Ba4O20Si8_aflow:838aefe2dc31fac1
BaSi2O5
-0.84491
-0.77696
1.051219
0.382764
-0.00937
0.232354
0.414241
0.393466
64
aflow
ICSD_Ba4O32Te4V8_aflow:e6e36c2e35bd39fb
BaV2TeO8
1.768031
1.659324
0.988942
1.718124
2.272044
1.970106
1.737304
0.474488
65
aflow
ICSD_Ba8Br16_aflow:12e881e9641c9799
BaBr2
-0.440064
-0.462993
1.053202
0.946982
1.102569
0.976247
1.01975
0.061575
66
aflow
ICSD_Ba8Cl16_aflow:b6bbcea6bb18c0a6
BaCl2
-0.117138
0.030954
0.641919
0.317613
0.612664
0.221605
0.44845
0.182328
67
aflow
ICSD_Ba8Mg4O32P8_aflow:f440d15274761628
Ba2Mg(PO4)2
-0.306297
-0.41383
0.217604
0.43472
-0.138532
0.2672
0.195248
0.208826
68
aflow
ICSD_Ba8O16Ti4_aflow:84f61966a6213505
Ba2TiO4
-1.025241
-0.423675
0.386968
0.303948
0.249349
-0.028439
0.227957
0.155929
69
aflow
ICSD_Ba8O16V4_aflow:8f09a2dc9b50180b
Ba2VO4
-0.52421
-1.07267
0.469905
0.495378
0.856337
0.481222
0.57571
0.162271
70
aflow
ICSD_Ba8O32W8_aflow:3b34d3299e7a1251
BaWO4
1.087884
0.834624
1.353583
1.459508
2.371511
1.429567
1.653542
0.416314
71
aflow
ICSD_Be2F5Rb1_aflow:ba63893960c67817
RbBe2F5
-1.692665
0.696992
0.780986
0.413806
-0.101936
-0.18733
0.226381
0.394228
72
aflow
ICSD_Be4Ca4F4O16P4_aflow:13d7ffe0f6d143d0
CaBePO4F
0.269229
0.550765
0.922771
1.038028
0.216808
0.698563
0.719043
0.314609
73
aflow
ICSD_Be4F16K8_aflow:80bbb5d9640a7716
K2BeF4
-1.139811
0.817212
1.225176
0.648584
0.750038
0.241571
0.716342
0.350016
74
aflow
ICSD_Be4F16Rb8_aflow:4b70ae6322207f96
Rb2BeF4
-1.591001
0.462521
1.275698
0.541205
1.054837
0.210968
0.770677
0.418845
75
aflow
ICSD_Be4K8O8_aflow:3bbaa4f5f788cd08
K2BeO2
-0.548428
0.415009
0.910768
0.604518
0.618211
0.247853
0.595337
0.234973
76
aflow
ICSD_Be8Ca4O32P8_aflow:1eeefc72d34b5317
CaBe2(PO4)2
0.400884
1.414743
1.064455
1.017799
0.743488
1.366478
1.048055
0.220986
77
aflow
ICSD_Bi12Ga1O21_aflow:35aa417a27337e75
Ga(Bi4O7)3
2.481458
2.403757
1.55424
1.643246
1.387248
1.533811
1.529636
0.09193
78
aflow
ICSD_Bi2Cl6_aflow:67288de1afb78068
BiCl3
2.880227
3.096079
2.26082
2.002335
2.089849
2.157603
2.127652
0.094557
79
aflow
ICSD_Bi2H2O14Sr8_aflow:32cfb87acfa14d46
Sr4BiHO7
1.417429
0.856861
0.235756
0.437193
0.626805
0.026301
0.331514
0.223992
80
aflow
ICSD_Bi2O8Sb2_aflow:570d327bf22ce65c
BiSbO4
3.024674
2.733392
2.733757
2.271056
2.704708
2.418308
2.531958
0.194648
81
aflow
ICSD_Bi4Br12_aflow:3f2326d04aabc1c1
BiBr3
2.463308
2.976589
1.941991
1.781415
1.977136
1.902821
1.900841
0.073792
82
aflow
ICSD_Bi4I12O36_aflow:77fd4dd4491bf5ce
Bi(IO3)3
3.231647
3.620414
2.870888
2.562018
2.175339
2.590823
2.549767
0.247564
83
aflow
ICSD_Bi4I4S4_aflow:a0302efdf8781590
BiSI
1.245488
2.178401
1.742395
1.681154
1.541542
1.708639
1.668433
0.076403
84
aflow
ICSD_Bi8O24W4_aflow:fd56d7fb81e69a00
Bi2WO6
2.051082
2.798247
2.259316
2.2961
2.568646
2.192975
2.329259
0.143066
85
aflow
ICSD_Br12Ge4Rb4_aflow:7d02da8791acc12f
RbGeBr3
1.573817
0.928547
2.038625
1.965598
2.320558
2.267096
2.147969
0.149326
86
aflow
ICSD_Br12Hg6Se4Zr2_aflow:dcdd13d029df5904
ZrHg3(SeBr3)2
1.336182
0.729343
1.491634
1.535883
1.667653
1.815277
1.627612
0.12622
87
aflow
ICSD_Br4S4Sb4_aflow:746d49ac4acb0389
SbSBr
2.484087
1.977723
2.030701
1.981538
2.086559
2.276749
2.093887
0.111923
88
aflow
ICSD_Br4S4Sb4_aflow:b661b21b9a789415
SbSBr
2.29337
2.426165
2.023364
1.93513
1.954491
2.185696
2.02467
0.098582
89
aflow
ICSD_Br6Li12N2_aflow:2db323501944ddde
Li6Br3N
-1.325059
-0.200265
1.228667
1.214049
1.352688
1.291602
1.271752
0.055069
90
aflow
ICSD_Br8Hg8Pb4S8_aflow:e6228177f37d868d
Hg2Pb(SBr)2
1.655994
0.596059
1.115479
1.36791
1.793687
1.597268
1.468586
0.25351
91
aflow
ICSD_Br8Sr4_aflow:94a3d1a1adc34827
SrBr2
-0.536361
-0.365178
1.630611
1.479705
1.868882
1.513618
1.623204
0.152491
92
aflow
ICSD_C12H40N4O36P12Sr4_aflow:742cb376371edcdb
SrP3H10C3NO9
-0.120678
0.640497
0.966778
0.997567
1.254454
1.890276
1.277269
0.371126
93
aflow
ICSD_C1K4O4_aflow:67f31206bb13e60a
K4CO4
-2.370969
-0.568184
1.047698
0.673421
1.597285
0.578512
0.974229
0.400211
94
aflow
ICSD_C1Li4O4_aflow:654e88cca2086386
Li4CO4
-1.00638
-0.601794
1.317478
0.989385
1.212284
0.779261
1.074602
0.207626
95
aflow
ICSD_C28Ho16_aflow:19c32662730b8d06
Ho4C7
-7.268148
-1.717701
0.281808
0.127928
-0.292165
0.160997
0.069642
0.2166
96
aflow
ICSD_C2Ca2O6_aflow:c703b43d6ea64c82
CaCO3
-0.348001
-0.248231
1.563565
1.220051
-0.089002
1.020256
0.928718
0.618878
97
aflow
ICSD_C2K2N2_aflow:2f21df6886987978
KCN
-0.537425
-2.34234
1.346792
1.15745
1.373356
1.545762
1.35584
0.137675
98
aflow
ICSD_C2O8Rb8_aflow:234b99fa096e3080
Rb4CO4
-2.775036
-0.860437
0.902613
0.377551
1.665343
0.235794
0.795325
0.560369
99
aflow
ICSD_C4Cs4H4O12_aflow:5973bed5b4a80dcb
CsHCO3
-0.043856
0.162104
0.031954
0.235909
-1.081129
0.095105
-0.17954
0.525742
100
aflow
ICSD_C4H12K4N4_aflow:f008d42d10cece1b
KH3CN
-4.294095
-0.528576
0.743307
0.673517
0.555572
1.100596
0.768248
0.203275
End of preview.

No dataset card yet

Downloads last month
136