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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 5 new columns ({'w2', 'pretty_formula', 'wlog', 'tcad', 'lambda'}) and 3 missing columns ({'band_gap', 'num_atoms_unit_cell', 'eah'}).

This happened while the csv dataset builder was generating data using

hf://datasets/paprakash/GuidedMatDiffusion_data/supccomb_12/train.csv (at revision 8bf66ee886befc8882a65e5519cb1a9ab04c8018)

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 "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1831, in _prepare_split_single
                  writer.write_table(table)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/arrow_writer.py", line 644, in write_table
                  pa_table = table_cast(pa_table, self._schema)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2272, in table_cast
                  return cast_table_to_schema(table, schema)
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/table.py", line 2218, in cast_table_to_schema
                  raise CastError(
              datasets.table.CastError: Couldn't cast
              pretty_formula: string
              material_id: string
              lambda: double
              w2: double
              wlog: double
              tcad: double
              cif: string
              -- schema metadata --
              pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 1054
              to
              {'material_id': Value('string'), 'band_gap': Value('float64'), 'eah': Value('float64'), 'num_atoms_unit_cell': Value('int64'), 'cif': Value('string')}
              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 1451, in compute_config_parquet_and_info_response
                  parquet_operations, partial, estimated_dataset_info = stream_convert_to_parquet(
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 994, in stream_convert_to_parquet
                  builder._prepare_split(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1702, in _prepare_split
                  for job_id, done, content in self._prepare_split_single(
                File "/src/services/worker/.venv/lib/python3.9/site-packages/datasets/builder.py", line 1833, in _prepare_split_single
                  raise DatasetGenerationCastError.from_cast_error(
              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 5 new columns ({'w2', 'pretty_formula', 'wlog', 'tcad', 'lambda'}) and 3 missing columns ({'band_gap', 'num_atoms_unit_cell', 'eah'}).
              
              This happened while the csv dataset builder was generating data using
              
              hf://datasets/paprakash/GuidedMatDiffusion_data/supccomb_12/train.csv (at revision 8bf66ee886befc8882a65e5519cb1a9ab04c8018)
              
              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)

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material_id
string
band_gap
float64
eah
float64
num_atoms_unit_cell
int64
cif
string
agm003646604
0.0574
0.021935
10
# generated using pymatgen data_Li4PdPb5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51867225 _cell_length_b 3.51867225 _cell_length_c 18.01299112 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
agm001729869
0.1299
3.322298
5
# generated using pymatgen data_CsHfSN2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.18135068 _cell_length_b 4.18135068 _cell_length_c 5.85127600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003486081
0.0758
0.252349
18
# generated using pymatgen data_Nb2ReS6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.96560151 _cell_length_b 5.96560151 _cell_length_c 9.93929664 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003062580
5.4316
0.198943
5
# generated using pymatgen data_CsCaF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59548270 _cell_length_b 7.16931011 _cell_length_c 7.16931011 _cell_angle_alpha 113.79956692 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001033203
0.233
0.25167
12
# generated using pymatgen data_AsPdS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.76052817 _cell_length_b 7.85995104 _cell_length_c 6.50292420 _cell_angle_alpha 104.84098738 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002171554
1.5523
0.169062
10
# generated using pymatgen data_TmInO3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.60130105 _cell_length_b 3.60130153 _cell_length_c 13.00396041 _cell_angle_alpha 90.00000009 _cell_angle_beta 90.00000239 _cell_angle_gamma 120.00732114 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001317854
0.0574
0.243754
4
# generated using pymatgen data_AcYNiOs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01621012 _cell_length_b 5.01621012 _cell_length_c 5.01621012 _cell_angle_alpha 59.99999999 _cell_angle_beta 59.99999999 _cell_angle_gamma 59.99999997 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001085052
0.0311
0.142539
7
# generated using pymatgen data_Sc4Pd2C _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41190915 _cell_length_b 4.41190915 _cell_length_c 7.53635761 _cell_angle_alpha 107.02016900 _cell_angle_beta 107.02016900 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
agm003354263
0.0356
0.249622
13
# generated using pymatgen data_Tb3(YSc4)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.70089776 _cell_length_b 8.67878514 _cell_length_c 8.93994259 _cell_angle_alpha 119.03827533 _cell_angle_beta 119.89763125 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
agm001098149
0.0125
0.286562
4
# generated using pymatgen data_CePaSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07751029 _cell_length_b 5.07751029 _cell_length_c 5.07751029 _cell_angle_alpha 59.99999999 _cell_angle_beta 60.00000005 _cell_angle_gamma 60.00000005 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002070800
1.8971
0.725083
8
# generated using pymatgen data_H2AuN _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42587214 _cell_length_b 2.86529437 _cell_length_c 11.21963562 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.87865109 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002288473
0.0785
0.134582
8
# generated using pymatgen data_ZrMnGa2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26558161 _cell_length_b 5.50274513 _cell_length_c 6.15092418 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 117.85415562 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003223082
4.4796
0
18
# generated using pymatgen data_As2SO6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85725950 _cell_length_b 5.10565478 _cell_length_c 11.56891858 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001790033
0.0976
0.957294
5
# generated using pymatgen data_ZnTcAsSe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.95612064 _cell_length_b 4.95612064 _cell_length_c 4.77376263 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
agm003302106
0.027
0.281883
19
# generated using pymatgen data_Nb2Fe2Ni15 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.24209405 _cell_length_b 6.24209406 _cell_length_c 6.24209406 _cell_angle_alpha 81.93749547 _cell_angle_beta 81.93749548 _cell_angle_gamma 81.93749554 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
agm003694685
0.1033
0.057147
13
# generated using pymatgen data_Li6DySn6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79887830 _cell_length_b 5.79881970 _cell_length_c 9.31305925 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00729701 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
agm001782760
0.0638
1.95891
5
# generated using pymatgen data_RbSb2TeAs _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.32022385 _cell_length_b 6.32022385 _cell_length_c 6.15183408 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
agm003457531
0.1168
0.189586
7
# generated using pymatgen data_Nd4GaGe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27151327 _cell_length_b 7.70213880 _cell_length_c 7.85695156 _cell_angle_alpha 117.62586172 _cell_angle_beta 105.77320284 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
agm003485225
0.2214
0.07042
18
# generated using pymatgen data_K2PBr6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.40916574 _cell_length_b 7.36676878 _cell_length_c 10.50308493 _cell_angle_alpha 90.00221533 _cell_angle_beta 90.06253167 _cell_angle_gamma 89.99891518 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001561726
0.0581
0.926606
5
# generated using pymatgen data_BaGeH2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45670644 _cell_length_b 6.60131634 _cell_length_c 4.45670644 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002661549
0.1009
1.1769
4
# generated using pymatgen data_Zr2ScCl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01223363 _cell_length_b 5.01223363 _cell_length_c 5.01223363 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002529940
0.0395
0.56141
5
# generated using pymatgen data_Y3MnPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.42092960 _cell_length_b 5.42092960 _cell_length_c 5.42092960 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002023895
0.7542
0.22831
12
# generated using pymatgen data_CuSiS _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.22953215 _cell_length_b 3.32054211 _cell_length_c 10.48286652 _cell_angle_alpha 90.00000000 _cell_angle_beta 106.52883986 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001510306
0.0645
1.303493
5
# generated using pymatgen data_HfTc2BiF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00765283 _cell_length_b 3.98656823 _cell_length_c 5.00765283 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002468132
0.0868
0.992098
5
# generated using pymatgen data_Al3CrF _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41818216 _cell_length_b 4.41818216 _cell_length_c 4.41818216 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001562051
0.018
0.623442
5
# generated using pymatgen data_SrCaHg2S _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.79444880 _cell_length_b 5.14092957 _cell_length_c 5.79444880 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003741907
0.0989
0.215186
6
# generated using pymatgen data_HfTaGa4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.21758019 _cell_length_b 3.21796939 _cell_length_c 10.28017462 _cell_angle_alpha 89.99784842 _cell_angle_beta 89.99438128 _cell_angle_gamma 79.02902252 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002487520
0.2067
0.191627
5
# generated using pymatgen data_SnHPb3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.01597037 _cell_length_b 5.01597037 _cell_length_c 5.01597037 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002353892
2.0416
0
12
# generated using pymatgen data_RbGdZnS3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04769118 _cell_length_b 7.73439048 _cell_length_c 10.71711946 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.17607436 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
agm004473302
0.1381
0.619895
10
# generated using pymatgen data_Cs2MnCCl6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.93868908 _cell_length_b 6.93868908 _cell_length_c 7.40313448 _cell_angle_alpha 62.05447703 _cell_angle_beta 62.05447703 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
agm002898446
0.0565
0.456352
8
# generated using pymatgen data_TiCd2Cu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.56060269 _cell_length_b 7.56060269 _cell_length_c 6.02372605 _cell_angle_alpha 51.12903450 _cell_angle_beta 51.12903450 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002961364
0.0292
0.295322
10
# generated using pymatgen data_Be2Co2P _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51146067 _cell_length_b 5.51146067 _cell_length_c 3.07931170 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001496854
0.0501
0.814882
5
# generated using pymatgen data_SrSnPbI2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.04742618 _cell_length_b 6.10207010 _cell_length_c 6.04742618 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002865692
0.058
0.81126
8
# generated using pymatgen data_NaHf2Tl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.29658665 _cell_length_b 8.29658665 _cell_length_c 6.53788228 _cell_angle_alpha 50.61701009 _cell_angle_beta 50.61701009 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002394289
0.1736
0.883964
5
# generated using pymatgen data_AlReSi3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.70213304 _cell_length_b 4.70213304 _cell_length_c 4.70213304 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003683713
0.0568
0.195295
19
# generated using pymatgen data_Pu(Cu2Si)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.68442534 _cell_length_b 6.68442535 _cell_length_c 6.68442534 _cell_angle_alpha 103.47764405 _cell_angle_beta 103.47764405 _cell_angle_gamma 103.47764408 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
agm003452720
0.081
0.150471
14
# generated using pymatgen data_Nd(TiAs2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83547479 _cell_length_b 6.47349436 _cell_length_c 12.49243923 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 107.23218073 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
agm002615403
0.035
2.231027
5
# generated using pymatgen data_LaTiMo3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.75430273 _cell_length_b 4.75430273 _cell_length_c 4.75430273 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003656561
0.1517
0.088873
10
# generated using pymatgen data_Na5USe4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.45254879 _cell_length_b 7.90703064 _cell_length_c 9.21914402 _cell_angle_alpha 115.20652513 _cell_angle_beta 103.97413499 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
agm001778763
0.063
1.557401
5
# generated using pymatgen data_LaZnPS2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.48441667 _cell_length_b 5.48441667 _cell_length_c 5.98953570 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001403142
0.0924
0.101256
4
# generated using pymatgen data_MnCrCoRe _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14047108 _cell_length_b 4.14047108 _cell_length_c 4.14047108 _cell_angle_alpha 59.99999996 _cell_angle_beta 60.00000001 _cell_angle_gamma 60.00000001 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001225018
0.1832
0.136545
4
# generated using pymatgen data_Gd2SiRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.79376750 _cell_length_b 4.73567417 _cell_length_c 4.73567417 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001496203
0.0937
1.338657
5
# generated using pymatgen data_Hf2AgBiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13453019 _cell_length_b 5.25962150 _cell_length_c 5.13453019 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
agm001609376
0.4213
0.183248
5
# generated using pymatgen data_LaZn2SnH _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61695747 _cell_length_b 4.61695747 _cell_length_c 4.55796917 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002213288
0.1547
0
7
# generated using pymatgen data_CeGa5Pt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41745400 _cell_length_b 4.41745400 _cell_length_c 6.90876142 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003219463
3.9328
0
16
# generated using pymatgen data_BaHIO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53467821 _cell_length_b 8.08176244 _cell_length_c 11.50820228 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002489882
0.0679
3.051861
5
# generated using pymatgen data_LaHIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03882766 _cell_length_b 5.03882766 _cell_length_c 5.03882766 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002948962
0.0835
0.40085
5
# generated using pymatgen data_Ti(FeRe)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.83560175 _cell_length_b 3.83560175 _cell_length_c 5.69503110 _cell_angle_alpha 70.32101928 _cell_angle_beta 70.32101928 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
agm001100357
0.1057
0.268881
4
# generated using pymatgen data_PuMn2V _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.38581597 _cell_length_b 4.38581598 _cell_length_c 4.38581597 _cell_angle_alpha 59.99999990 _cell_angle_beta 59.99999993 _cell_angle_gamma 59.99999997 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001482160
0.108
1.263927
5
# generated using pymatgen data_NiSn2IrRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99061163 _cell_length_b 4.58348552 _cell_length_c 4.99061163 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
agm003669311
0.0975
0.17063
12
# generated using pymatgen data_Ho4Hg7Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.53132149 _cell_length_b 9.68767333 _cell_length_c 6.94005078 _cell_angle_alpha 80.72387320 _cell_angle_beta 66.51510562 _cell_angle_gamma 73.41231070 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001148407
0.0835
0.112069
4
# generated using pymatgen data_Th2OsPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51446785 _cell_length_b 3.51446785 _cell_length_c 7.55103785 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003438954
0.0576
0.073468
6
# generated using pymatgen data_ScPa2Tc3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.42054298 _cell_length_b 3.42054298 _cell_length_c 9.98142188 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001280392
0.442
0.028024
4
# generated using pymatgen data_SmHg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12050724 _cell_length_b 5.12050724 _cell_length_c 5.21366357 _cell_angle_alpha 119.41067965 _cell_angle_beta 119.41067965 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003704351
0.0169
0.161065
20
# generated using pymatgen data_Tb7PmSm12 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 9.38948097 _cell_length_b 9.38948097 _cell_length_c 9.38948098 _cell_angle_alpha 107.80003392 _cell_angle_beta 107.80003394 _cell_angle_gamma 107.80003397 _symmetry_Int_Tables_number 1 _chemical_formula_structu...
agm002888080
0.0706
0.814794
8
# generated using pymatgen data_ScTc2Bi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.14386720 _cell_length_b 4.14386720 _cell_length_c 10.16121366 _cell_angle_alpha 78.23452845 _cell_angle_beta 78.23452845 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003683997
0.0215
0.146082
19
# generated using pymatgen data_Sm12YHo6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.61256124 _cell_length_b 8.61256124 _cell_length_c 8.61256124 _cell_angle_alpha 88.85647161 _cell_angle_beta 88.85647161 _cell_angle_gamma 88.85647159 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002977049
0.1688
0.279082
10
# generated using pymatgen data_Fe(AsPb)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.29306473 _cell_length_b 6.29306473 _cell_length_c 5.68095357 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
agm003612193
4.4463
0.023972
16
# generated using pymatgen data_TlHF2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.03640075 _cell_length_b 7.09004704 _cell_length_c 7.33894896 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural T...
agm003678113
0.1319
0.001049
12
# generated using pymatgen data_PmNd5Sb6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.82866379 _cell_length_b 7.82849110 _cell_length_c 7.82855565 _cell_angle_alpha 60.00027282 _cell_angle_beta 80.39756317 _cell_angle_gamma 70.51110723 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002419521
0.2317
2.17165
5
# generated using pymatgen data_RbBeAl3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.07340280 _cell_length_b 6.07340280 _cell_length_c 6.07340280 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001836181
0.4713
0.160205
3
# generated using pymatgen data_GaBiAu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.32961271 _cell_length_b 3.32961271 _cell_length_c 6.61327257 _cell_angle_alpha 104.58033126 _cell_angle_beta 104.58033126 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003531551
0.0136
0.036823
11
# generated using pymatgen data_Sm8ZnHg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29517685 _cell_length_b 7.00695630 _cell_length_c 9.62527507 _cell_angle_alpha 105.79699275 _cell_angle_beta 105.96596290 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
agm002436096
0.2155
2.178756
5
# generated using pymatgen data_AlPbC3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07551255 _cell_length_b 4.07551255 _cell_length_c 4.07551255 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003515137
0.0347
0.045435
11
# generated using pymatgen data_Tb8Sm2Cd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00091121 _cell_length_b 7.90299621 _cell_length_c 9.35168798 _cell_angle_alpha 104.92722409 _cell_angle_beta 105.50842901 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
agm002829916
0.0106
1.056423
8
# generated using pymatgen data_Hf2FeI _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.05394012 _cell_length_b 6.05394012 _cell_length_c 7.44271423 _cell_angle_alpha 66.00214494 _cell_angle_beta 66.00214494 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001160137
0.0308
0.197708
4
# generated using pymatgen data_BaNd2Pu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.72156905 _cell_length_b 3.72156905 _cell_length_c 10.85706611 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001529593
0.0118
1.317286
5
# generated using pymatgen data_Tl2RePdO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.81211061 _cell_length_b 3.98041245 _cell_length_c 4.81211061 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001514574
0.09
1.724817
5
# generated using pymatgen data_NbCdGe2Cl _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.96849213 _cell_length_b 5.73607905 _cell_length_c 4.96849213 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
agm002895269
0.2354
0.328307
8
# generated using pymatgen data_SrSn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.07078345 _cell_length_b 5.07078345 _cell_length_c 10.10943745 _cell_angle_alpha 75.47546598 _cell_angle_beta 75.47546598 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002498941
0.0429
1.009089
5
# generated using pymatgen data_InPt3Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.00144215 _cell_length_b 5.00144215 _cell_length_c 5.00144215 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003192472
0.1432
0.025369
4
# generated using pymatgen data_La2SiIr _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26047826 _cell_length_b 4.44161479 _cell_length_c 5.77376656 _cell_angle_alpha 67.36414921 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001173235
0.0145
0.083881
6
# generated using pymatgen data_PmPaCo4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.02559048 _cell_length_b 5.02559048 _cell_length_c 5.02559048 _cell_angle_alpha 59.99999995 _cell_angle_beta 59.99999998 _cell_angle_gamma 59.99999997 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003574010
0.1804
0.072052
10
# generated using pymatgen data_Np(TlBr2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.68412566 _cell_length_b 7.68412565 _cell_length_c 8.88645094 _cell_angle_alpha 110.10664606 _cell_angle_beta 110.10664604 _cell_angle_gamma 101.82274864 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
agm002547772
0.1604
1.928099
5
# generated using pymatgen data_NaHf3Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89512675 _cell_length_b 4.89512675 _cell_length_c 4.89512675 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003014089
0.2467
0.27527
10
# generated using pymatgen data_Sc2PdAu2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.61879560 _cell_length_b 7.61879560 _cell_length_c 3.41629540 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002179731
0.2855
0.02235
8
# generated using pymatgen data_TmIn2Pd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.48886171 _cell_length_b 5.71042391 _cell_length_c 7.47223119 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.15120507 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001120968
0.1162
0.189897
4
# generated using pymatgen data_CoSn2Ru _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.20884344 _cell_length_b 3.20884344 _cell_length_c 6.36210337 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001005921
0.1493
0.973565
6
# generated using pymatgen data_SnOsO _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.86320213 _cell_length_b 3.16173779 _cell_length_c 11.52681974 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 116.92278428 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001527961
0.0584
1.211364
5
# generated using pymatgen data_YSb2MoPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.17379628 _cell_length_b 4.96115553 _cell_length_c 5.17379628 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002631429
0.2764
0.136958
4
# generated using pymatgen data_TlInAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.04305657 _cell_length_b 5.04305657 _cell_length_c 5.04305657 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001308493
0.3469
0.197678
4
# generated using pymatgen data_LiHoCdRu _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.74377779 _cell_length_b 4.74377780 _cell_length_c 4.74377780 _cell_angle_alpha 60.00000001 _cell_angle_beta 59.99999997 _cell_angle_gamma 59.99999997 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001407182
0.3067
0.185409
4
# generated using pymatgen data_ErTmAlPb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.24630851 _cell_length_b 5.24630852 _cell_length_c 5.24630851 _cell_angle_alpha 59.99999993 _cell_angle_beta 59.99999996 _cell_angle_gamma 59.99999998 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002976383
0.1687
0.389416
10
# generated using pymatgen data_Nb2InFe2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.51811098 _cell_length_b 7.51811098 _cell_length_c 2.91096699 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001919179
0.1142
0.365303
4
# generated using pymatgen data_LiSmIrRh _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65042755 _cell_length_b 4.65042756 _cell_length_c 4.65042755 _cell_angle_alpha 59.99999993 _cell_angle_beta 59.99999992 _cell_angle_gamma 59.99999997 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002077877
0.229
0.269854
3
# generated using pymatgen data_GaReH _symmetry_space_group_name_H-M 'P 1' _cell_length_a 2.81225782 _cell_length_b 2.94601265 _cell_length_c 5.01631208 _cell_angle_alpha 105.40293729 _cell_angle_beta 90.40519735 _cell_angle_gamma 118.33278693 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001128460
0.0392
0.132631
4
# generated using pymatgen data_TbSn2Pb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.16268476 _cell_length_b 4.16268476 _cell_length_c 6.47101018 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001788787
0.0792
1.075892
5
# generated using pymatgen data_CuAsSe2O _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.52516755 _cell_length_b 4.52516755 _cell_length_c 4.27441989 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003402202
1.3063
0.040607
10
# generated using pymatgen data_Ba(CaP)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.44100791 _cell_length_b 7.44100791 _cell_length_c 7.68843812 _cell_angle_alpha 114.35634568 _cell_angle_beta 114.35634560 _cell_angle_gamma 98.46079578 _symmetry_Int_Tables_number 1 _chemical_formula_structura...
agm001190215
0.067
0.218439
6
# generated using pymatgen data_TmU4Pa _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.74704555 _cell_length_b 5.74704556 _cell_length_c 5.74704556 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 59.99999999 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001454127
0.3231
0.733347
5
# generated using pymatgen data_BaTlS2I _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.12958354 _cell_length_b 7.15912967 _cell_length_c 5.12958354 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001369094
0.5333
0.132492
4
# generated using pymatgen data_CaMgZnPd _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.85000966 _cell_length_b 4.85000967 _cell_length_c 4.85000966 _cell_angle_alpha 60.00000005 _cell_angle_beta 60.00000003 _cell_angle_gamma 60.00000003 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003717942
3.4971
0.020847
10
# generated using pymatgen data_LiInF3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.71064675 _cell_length_b 5.24227041 _cell_length_c 8.40394299 _cell_angle_alpha 70.11089322 _cell_angle_beta 50.32646979 _cell_angle_gamma 59.67565367 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001301421
0.1017
0.12682
4
# generated using pymatgen data_LiCaHgPt _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.88528583 _cell_length_b 4.88528584 _cell_length_c 4.88528584 _cell_angle_alpha 59.99999994 _cell_angle_beta 59.99999998 _cell_angle_gamma 59.99999999 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002787569
0.1637
0.509088
8
# generated using pymatgen data_HfAlPd2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.07116608 _cell_length_b 4.07116608 _cell_length_c 9.28143928 _cell_angle_alpha 77.33104414 _cell_angle_beta 77.33104414 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003685207
0.0821
0.152896
19
# generated using pymatgen data_Mg(AlAg2)6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 7.55591877 _cell_length_b 7.55591876 _cell_length_c 7.55591877 _cell_angle_alpha 106.82458235 _cell_angle_beta 106.82458234 _cell_angle_gamma 106.82458236 _symmetry_Int_Tables_number 1 _chemical_formula_struct...
agm003504668
0.17
0.104625
9
# generated using pymatgen data_Ca6GeP2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34486905 _cell_length_b 7.58174164 _cell_length_c 8.59330561 _cell_angle_alpha 72.43454732 _cell_angle_beta 71.88108042 _cell_angle_gamma 69.36074228 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm001012634
0.2776
0.109617
6
# generated using pymatgen data_DyGaSi _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.35221300 _cell_length_b 5.78736092 _cell_length_c 4.35910570 _cell_angle_alpha 89.94205433 _cell_angle_beta 69.89258938 _cell_angle_gamma 56.00266189 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm002997174
0.0657
0.296308
10
# generated using pymatgen data_Mn2ZnMo2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.99124656 _cell_length_b 6.99124656 _cell_length_c 2.87739124 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural ...
agm003440054
0.0503
0.042858
12
# generated using pymatgen data_Ho2NiIr3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36796918 _cell_length_b 5.36796917 _cell_length_c 8.35896879 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000004 _symmetry_Int_Tables_number 1 _chemical_formula_structural...
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