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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 1 new columns ({'description'}) and 23 missing columns ({'band_gap', 'formation_energy_per_atom', 'density', 'chemsys', 'nsites', 'symmetry', 'point_group', 'point_group_order', 'lattice_beta', 'lattice_a', 'is_centrosymmetric', 'lattice_c', 'lattice_alpha', 'ordering', 'nelements', 'lattice_b', 'bravais_lattice', 'density_atomic', 'formula_pretty', 'total_magnetization', 'num_magnetic_sites', 'lattice_gamma', 'space_group_number'}).

This happened while the csv dataset builder was generating data using

hf://datasets/Godseye1311/alignn-band-gap/text_data.csv (at revision 7bb6f33a9634e21d3cf3a5839377d977d1e1b3bb), ['hf://datasets/Godseye1311/alignn-band-gap@7bb6f33a9634e21d3cf3a5839377d977d1e1b3bb/materials_tabular.csv', 'hf://datasets/Godseye1311/alignn-band-gap@7bb6f33a9634e21d3cf3a5839377d977d1e1b3bb/text_data.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 1837, 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 2369, in table_cast
                  return cast_table_to_schema(table, schema)
                File "/usr/local/lib/python3.14/site-packages/datasets/table.py", line 2297, in cast_table_to_schema
                  raise CastError(
                  ...<3 lines>...
                  )
              datasets.table.CastError: Couldn't cast
              material_id: string
              description: string
              -- schema metadata --
              pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 525
              to
              {'material_id': Value('string'), 'formula_pretty': Value('string'), 'density': Value('float64'), 'density_atomic': Value('float64'), 'total_magnetization': Value('float64'), 'num_magnetic_sites': Value('int64'), 'chemsys': Value('string'), 'ordering': Value('string'), 'nelements': Value('int64'), 'nsites': Value('int64'), 'formation_energy_per_atom': Value('float64'), 'band_gap': Value('float64'), 'symmetry': Value('string'), 'space_group_number': Value('int64'), 'lattice_a': Value('float64'), 'lattice_b': Value('float64'), 'lattice_c': Value('float64'), 'lattice_alpha': Value('float64'), 'lattice_beta': Value('float64'), 'lattice_gamma': Value('float64'), 'point_group': Value('string'), 'point_group_order': Value('int64'), 'is_centrosymmetric': Value('int64'), 'bravais_lattice': 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 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 1683, 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 1839, 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 1 new columns ({'description'}) and 23 missing columns ({'band_gap', 'formation_energy_per_atom', 'density', 'chemsys', 'nsites', 'symmetry', 'point_group', 'point_group_order', 'lattice_beta', 'lattice_a', 'is_centrosymmetric', 'lattice_c', 'lattice_alpha', 'ordering', 'nelements', 'lattice_b', 'bravais_lattice', 'density_atomic', 'formula_pretty', 'total_magnetization', 'num_magnetic_sites', 'lattice_gamma', 'space_group_number'}).
              
              This happened while the csv dataset builder was generating data using
              
              hf://datasets/Godseye1311/alignn-band-gap/text_data.csv (at revision 7bb6f33a9634e21d3cf3a5839377d977d1e1b3bb), ['hf://datasets/Godseye1311/alignn-band-gap@7bb6f33a9634e21d3cf3a5839377d977d1e1b3bb/materials_tabular.csv', 'hf://datasets/Godseye1311/alignn-band-gap@7bb6f33a9634e21d3cf3a5839377d977d1e1b3bb/text_data.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.

material_id
string
formula_pretty
string
density
float64
density_atomic
float64
total_magnetization
float64
num_magnetic_sites
int64
chemsys
string
ordering
string
nelements
int64
nsites
int64
formation_energy_per_atom
float64
band_gap
float64
symmetry
string
space_group_number
int64
lattice_a
float64
lattice_b
float64
lattice_c
float64
lattice_alpha
float64
lattice_beta
float64
lattice_gamma
float64
point_group
string
point_group_order
int64
is_centrosymmetric
int64
bravais_lattice
string
mp-10018
Ac
8.157868
46.205987
0.000059
0
Ac
Unknown
1
1
0.021639
0
cubic
225
4.02783
4.027829
4.02783
59.999995
60.000001
59.999995
m-3m
48
1
cubic_F
mp-862690
Ac
8.170182
46.13635
0.000107
0
Ac
Unknown
1
4
0
0
hexagonal
194
4.046041
4.046041
13.017036
90
90
120.000008
6/mmm
24
1
hexagonal_P
mp-1183057
Ac
8.313274
45.342229
0.022801
0
Ac
NM
1
3
0.015586
0
trigonal
152
4.002656
4.002656
9.803856
90
90
120.000003
32
6
0
trigonal_P
mp-1183069
Ac
8.14476
46.280352
0.000972
0
Ac
Unknown
1
3
0.011822
0
trigonal
166
4.046863
4.046863
10.064235
78.401536
101.598467
119.999995
-3m
12
1
trigonal_R
mp-861724
Ac2AgIr
11.367264
27.539342
0.000014
0
Ac-Ag-Ir
Unknown
3
4
-0.413285
0
cubic
225
5.38075
5.38075
5.38075
60
60
60
m-3m
48
1
cubic_F
mp-1183076
Ac2AgPb
9.490476
33.640774
0.910605
0
Ac-Ag-Pb
Unknown
3
4
-0.480278
0
cubic
225
5.751931
5.751931
5.751931
60
60
60
m-3m
48
1
cubic_F
mp-1183068
Ac2CdGa
8.24321
32.036228
0.000047
0
Ac-Cd-Ga
Unknown
3
4
-0.402831
0
cubic
225
5.658988
5.658988
5.658988
60
60
60
m-3m
48
1
cubic_F
mp-1183063
Ac2CdGe
8.449542
31.397239
0.000004
0
Ac-Cd-Ge
Unknown
3
4
-0.464809
0
cubic
225
5.621111
5.621111
5.621111
60
60
60
m-3m
48
1
cubic_F
mp-1183086
Ac2CdHg
9.570977
33.26816
0.628202
0
Ac-Cd-Hg
Unknown
3
4
-0.433682
0
cubic
225
5.730615
5.730615
5.730615
60
60
60
m-3m
48
1
cubic_F
mp-862319
Ac2CdSn
8.370293
33.979403
0.000019
0
Ac-Cd-Sn
Unknown
3
4
-0.542654
0
cubic
225
5.771166
5.771166
5.771166
60
60
60
m-3m
48
1
cubic_F
mp-862786
Ac2CuGe
8.598305
28.49477
0.001071
0
Ac-Cu-Ge
Unknown
3
4
-0.386251
0
cubic
225
5.44227
5.44227
5.44227
60
60
60
m-3m
48
1
cubic_F
mp-861883
Ac2CuIr
11.32219
26.023879
0.000169
0
Ac-Cu-Ir
Unknown
3
4
-0.342299
0
cubic
225
5.280183
5.280183
5.280183
60
60
60
m-3m
48
1
cubic_F
mp-1183120
Ac2CuRu
9.971868
25.75335
0.00012
0
Ac-Cu-Ru
Unknown
3
4
-0.016838
0
cubic
225
5.261823
5.261823
5.261823
60
60
60
m-3m
48
1
cubic_F
mp-862683
Ac2GaCu
8.414439
28.973504
0.00001
0
Ac-Cu-Ga
Unknown
3
4
-0.287378
0
cubic
225
5.472579
5.472579
5.472579
60
60
60
m-3m
48
1
cubic_F
mp-867241
Ac2GePd
9.154251
28.708545
0.000001
0
Ac-Ge-Pd
Unknown
3
4
-0.665207
0
cubic
225
5.45115
5.458083
5.455327
59.945002
60.09221
60.035516
m-3m
48
1
cubic_F
mp-861872
Ac2HgGe
9.670947
31.217053
0.000001
0
Ac-Ge-Hg
Unknown
3
4
-0.58325
0
cubic
225
5.61033
5.61033
5.61033
60.000174
60.000175
60.000175
m-3m
48
1
cubic_F
mp-1183377
Ac2InGa
8.116507
32.659438
0.000002
0
Ac-Ga-In
Unknown
3
4
-0.506067
0
cubic
225
5.695448
5.695448
5.695448
60
60
60
m-3m
48
1
cubic_F
mp-865951
Ac2IrAu
12.81076
27.323502
0.000001
0
Ac-Au-Ir
Unknown
3
4
-0.695377
0
cubic
225
5.366656
5.366658
5.366656
60.000009
59.999959
60.000014
m-3m
48
1
cubic_F
mp-866107
Ac2IrPd
11.927066
26.196366
0.000005
0
Ac-Ir-Pd
Unknown
3
4
-0.666397
0
cubic
225
5.291823
5.291823
5.291823
60
60
60
m-3m
48
1
cubic_F
mp-1183093
Ac2IrRh
12.266179
25.353192
0.000819
0
Ac-Ir-Rh
Unknown
3
4
-0.534734
0
cubic
225
5.234428
5.234428
5.234428
60
60
60
m-3m
48
1
cubic_F
mp-985286
Ac2Mg
6.791641
38.981453
0.551729
0
Ac-Mg
Unknown
2
3
-0.006999
0
tetragonal
139
4.119387
4.119387
7.482416
105.995538
105.995538
89.93933
4/mmm
16
1
tetragonal_I
mp-1183085
Ac2Mg
6.748691
39.22954
0.000731
0
Ac-Mg
Unknown
2
6
-0.006879
0
orthorhombic
63
9.578804
9.578804
6.02795
90
90
154.813174
mmm
8
1
orthorhombic_C
mp-1183089
Ac2Mg
6.781411
39.040257
1.244451
0
Ac-Mg
Unknown
2
6
-0.019751
0
monoclinic
12
7.459171
7.459171
8.270315
73.904198
73.904198
32.117466
2/m
4
1
monoclinic_C
mp-1183074
Ac2MgGa
7.055287
32.246098
0.000181
0
Ac-Ga-Mg
Unknown
3
4
-0.22884
0
cubic
225
5.671319
5.671319
5.671319
60
60
60
m-3m
48
1
cubic_F
mp-1183078
Ac2MgPb
8.045456
35.371141
0.000012
0
Ac-Mg-Pb
Unknown
3
4
-0.267461
0
cubic
225
5.848907
5.848907
5.848907
60
60
60
m-3m
48
1
cubic_F
mp-866103
Ac2MgSn
7.178167
34.527154
0.000027
0
Ac-Mg-Sn
Unknown
3
4
-0.344918
0
cubic
225
5.802012
5.802012
5.802012
60
60
60
m-3m
48
1
cubic_F
mp-1183079
Ac2MgTl
8.085059
35.053256
0.000868
0
Ac-Mg-Tl
Unknown
3
4
-0.199245
0
cubic
225
5.831332
5.831332
5.831332
60
60
60
m-3m
48
1
cubic_F
mp-862849
Ac2NiIr
11.666643
25.082864
0.000001
0
Ac-Ir-Ni
Unknown
3
4
-0.324699
0
cubic
225
5.215735
5.215735
5.215735
60.000568
60.000568
60.000569
m-3m
48
1
cubic_F
mp-11107
Ac2O3
9.10913
18.302245
0
0
Ac-O
Unknown
2
5
-3.737668
3.5219
trigonal
164
4.095487
4.095489
6.299882
90
90
120
-3m
12
1
trigonal_P
mp-32800
Ac2S3
6.535149
27.960196
0
0
Ac-S
NM
2
40
-2.493064
2.2729
tetragonal
122
14.997851
14.997851
14.997851
144.742139
144.742139
50.718963
-42m
8
0
tetragonal_I
mp-977351
Ac2S3
5.562971
32.846489
0
0
Ac-S
Unknown
2
10
-2.440364
3.0275
trigonal
167
7.619779
7.619773
7.875664
118.930903
61.069136
119.999942
-3m
12
1
trigonal_R
mp-862698
Ac2SiAu
9.576408
29.43673
0.643124
0
Ac-Au-Si
Unknown
3
4
-0.641502
0
cubic
225
5.499647
5.502988
5.502157
59.964303
60.025425
60.009807
m-3m
48
1
cubic_F
mp-983586
Ac2SiHg
9.212666
30.762249
0.000006
0
Ac-Hg-Si
Unknown
3
4
-0.461455
0
cubic
225
5.582958
5.582958
5.582958
60
60
60
m-3m
48
1
cubic_F
mp-864795
Ac2SnHg
9.533839
33.672031
0.000034
0
Ac-Hg-Sn
Unknown
3
4
-0.645806
0
cubic
225
5.753712
5.753712
5.753712
60
60
60
m-3m
48
1
cubic_F
mp-1183072
Ac2TlCd
9.256491
34.568554
0.98291
0
Ac-Cd-Tl
Unknown
3
4
-0.407012
0
cubic
225
5.80433
5.80433
5.80433
60
60
60
m-3m
48
1
cubic_F
mp-1183073
Ac2TlIn
9.190532
34.925371
0.000014
0
Ac-In-Tl
Unknown
3
4
-0.513242
0
cubic
225
5.824232
5.824232
5.824232
60
60
60
m-3m
48
1
cubic_F
mp-1183070
Ac2TlSn
9.277242
34.773097
0.00001
0
Ac-Sn-Tl
Unknown
3
4
-0.570141
0
cubic
225
5.815755
5.815755
5.815755
60
60
60
m-3m
48
1
cubic_F
mp-1183077
Ac2YbMg
7.558103
35.775637
0.000014
0
Ac-Mg-Yb
NM
3
4
0.02489
0
cubic
225
5.871118
5.871118
5.871118
60
60
60
m-3m
48
1
cubic_F
mp-1183066
Ac2ZnAu
10.020648
29.67796
0.000001
0
Ac-Au-Zn
Unknown
3
4
-0.54245
0
cubic
225
5.516577
5.516577
5.516577
60
60
60
m-3m
48
1
cubic_F
mp-865535
Ac2ZnGa
8.153142
29.996923
0.00047
0
Ac-Ga-Zn
Unknown
3
4
-0.378248
0
cubic
225
5.53627
5.53627
5.53627
60
60
60
m-3m
48
1
cubic_F
mp-866018
Ac2ZnGe
8.33744
29.479088
0.000041
0
Ac-Ge-Zn
Unknown
3
4
-0.457048
0
cubic
225
5.504227
5.504227
5.504227
60
60
60
m-3m
48
1
cubic_F
mp-1183067
Ac2ZnHg
9.502633
31.454083
0.007784
0
Ac-Hg-Zn
Unknown
3
4
-0.384466
0
cubic
225
5.624501
5.624501
5.624501
60
60
60
m-3m
48
1
cubic_F
mp-1183106
Ac2ZnIn
8.061589
32.659774
0.00202
0
Ac-In-Zn
Unknown
3
4
-0.385861
0
cubic
225
5.695468
5.695468
5.695468
60
60
60
m-3m
48
1
cubic_F
mp-865398
Ac2ZnIr
10.920979
27.050752
0
0
Ac-Ir-Zn
Unknown
3
4
-0.414113
0
cubic
225
5.348739
5.348739
5.348739
60
60
60
m-3m
48
1
cubic_F
mp-1183090
Ac3Cd
8.513908
38.686405
0.014646
0
Ac-Cd
NM
2
4
-0.078303
0
tetragonal
139
6.736538
6.736538
6.736538
134.171196
134.171196
66.820738
4/mmm
16
1
tetragonal_I
mp-1183100
Ac3Cd
8.46594
38.905602
0.36322
0
Ac-Cd
NM
2
8
-0.081378
0
hexagonal
194
7.727012
7.727012
6.019332
90
90
120.000002
6/mmm
24
1
hexagonal_P
mp-1183081
Ac3Dy
8.421044
41.582278
0.000029
0
Ac-Dy
NM
2
4
0.066876
0
tetragonal
139
6.724257
6.724257
6.724257
131.638798
131.638798
70.800108
4/mmm
16
1
tetragonal_I
mp-1183103
Ac3Dy
8.376128
41.805254
0.04284
0
Ac-Dy
NM
2
8
0.068457
0
hexagonal
194
7.798616
7.798616
6.349728
90
90
120.000003
6/mmm
24
1
hexagonal_P
mp-985294
Ac3Er
8.506503
41.396779
0.269305
0
Ac-Er
NM
2
8
0.071818
0
hexagonal
194
7.816836
7.816836
6.258408
90
90
120.000003
6/mmm
24
1
hexagonal_P
mp-1183091
Ac3Er
8.452893
41.659326
0.003152
0
Ac-Er
NM
2
4
0.070693
0
tetragonal
139
6.716344
6.716344
6.716344
131.452769
131.452769
71.094704
4/mmm
16
1
tetragonal_I
mp-1183271
Ac3Eu
7.426651
46.561001
18.728216
0
Ac-Eu
Unknown
2
8
0.015199
0
hexagonal
194
8.069448
8.06941
6.605353
90
90
120.000011
6/mmm
24
1
hexagonal_P
mp-985291
Ac3Hg
9.631635
37.997563
0.050584
0
Ac-Hg
NM
2
8
-0.091357
0
hexagonal
194
7.704956
7.704956
5.912549
90
90
120.000003
6/mmm
24
1
hexagonal_P
mp-1183111
Ac3Ho
8.355103
42.031212
0.009975
0
Ac-Ho
NM
2
8
0.070546
0
hexagonal
194
7.827008
7.827008
6.337817
90
90
120.000002
6/mmm
24
1
hexagonal_P
mp-985305
Ac3In
8.547053
38.653291
1.642045
0
Ac-In
Unknown
2
8
-0.250224
0
hexagonal
194
7.726766
7.726798
5.980659
90.000017
89.999992
120.000108
6/mmm
24
1
hexagonal_P
mp-985540
Ac3La
7.510376
45.320136
3.802916
0
Ac-La
Unknown
2
8
0.024142
0
hexagonal
194
8.021578
8.021591
6.506245
90
90
120.000044
6/mmm
24
1
hexagonal_P
mp-1183095
Ac3La
7.728659
44.040143
0.012327
0
Ac-La
Unknown
2
4
0.032081
0
tetragonal
139
6.822198
6.822198
6.822198
131.150211
131.150211
71.574533
4/mmm
16
1
tetragonal_I
mp-1183087
Ac3Lu
8.67998
40.938072
0.003789
0
Ac-Lu
NM
2
4
0.074353
0
tetragonal
139
6.704502
6.704502
6.704502
131.871219
131.871219
70.432498
4/mmm
16
1
tetragonal_I
mp-1183123
Ac3Lu
8.511763
41.747129
0.244962
0
Ac-Lu
NM
2
8
0.075314
0
hexagonal
194
7.819391
7.819391
6.307252
90
90
120.000005
6/mmm
24
1
hexagonal_P
mp-985554
Ac3Nd
7.815556
43.833946
0.100982
0
Ac-Nd
Unknown
2
8
0.018526
0
hexagonal
194
7.994131
7.994127
6.336184
89.999999
90.000028
120.000024
6/mmm
24
1
hexagonal_P
mp-1183109
Ac3Pm
7.918352
43.304633
0.043981
0
Ac-Pm
Unknown
2
8
0.036769
0
hexagonal
194
7.978123
7.978123
6.284811
90
90
119.999998
6/mmm
24
1
hexagonal_P
mp-985302
Ac3Pr
7.725182
44.167559
0.232402
0
Ac-Pr
Unknown
2
8
0.0178
0
hexagonal
194
8.010204
8.010201
6.358805
89.999947
90.000038
119.999955
6/mmm
24
1
hexagonal_P
mp-1183122
Ac3Si
8.528232
34.516654
0.004223
0
Ac-Si
NM
2
8
-0.274678
0
hexagonal
194
7.58504
7.58504
5.542074
90
90
119.999998
6/mmm
24
1
hexagonal_P
mp-985547
Ac3Sm
8.011382
43.079513
0.000185
0
Ac-Sm
Unknown
2
8
0.039173
0
hexagonal
194
7.963272
7.963273
6.27548
90
90
119.999994
6/mmm
24
1
hexagonal_P
mp-1183099
Ac3Tb
8.286315
42.079285
0.029036
0
Ac-Tb
NM
2
8
0.065176
0
hexagonal
194
7.81341
7.81341
6.367171
90
90
119.999996
6/mmm
24
1
hexagonal_P
mp-985506
Ac3Tl
9.509016
38.653149
0.003199
0
Ac-Tl
Unknown
2
8
-0.163814
0
hexagonal
194
7.764824
7.764837
5.922166
90
90
120.000071
6/mmm
24
1
hexagonal_P
mp-1183084
Ac3Tm
8.621866
40.923537
0.002868
0
Ac-Tm
NM
2
4
0.072308
0
tetragonal
139
6.679046
6.679046
6.679046
131.491365
131.491365
71.033557
4/mmm
16
1
tetragonal_I
mp-1183098
Ac3Tm
8.487669
41.570572
0.231052
0
Ac-Tm
NM
2
8
0.073467
0
hexagonal
194
7.801695
7.801695
6.309101
90
90
120.000006
6/mmm
24
1
hexagonal_P
mp-1183083
Ac3Y
7.532052
42.433944
0.001191
0
Ac-Y
Unknown
2
4
0.058626
0
tetragonal
139
6.730772
6.730772
6.730772
131.033103
131.033103
71.76049
4/mmm
16
1
tetragonal_I
mp-1183102
Ac3Y
7.470095
42.785891
0.00228
0
Ac-Y
Unknown
2
8
0.047491
0
hexagonal
194
7.922183
7.922185
6.297527
90
90
119.999991
6/mmm
24
1
hexagonal_P
mp-972002
Ac3Yb
8.46288
41.893742
0.428374
2
Ac-Yb
FM
2
8
0.050885
0
hexagonal
194
7.881736
7.881736
6.229665
90
90
119.999995
6/mmm
24
1
hexagonal_P
mp-1183059
Ac3Yb
8.591634
41.265921
0.00106
0
Ac-Yb
NM
2
4
0.052334
0
cubic
221
5.485512
5.485512
5.485512
90
90
90
m-3m
48
1
cubic_P
mp-1183088
Ac3Yb
8.597258
41.238929
0.000007
0
Ac-Yb
NM
2
4
0.067073
0
tetragonal
139
6.691781
6.691781
6.691781
131.423288
131.423288
71.141421
4/mmm
16
1
tetragonal_I
mp-866199
AcAg
9.037338
30.764687
0.000001
0
Ac-Ag
Unknown
2
2
-0.271157
0
cubic
221
3.947852
3.947852
3.947852
90
90
90
m-3m
48
1
cubic_P
mp-1183065
AcAg2Pb
10.336095
26.103784
0.000002
0
Ac-Ag-Pb
Unknown
3
4
-0.311332
0
cubic
225
5.285582
5.285582
5.285582
60
60
60
m-3m
48
1
cubic_F
mp-862890
AcAg2Sn
9.245002
25.211019
0.000001
0
Ac-Ag-Sn
Unknown
3
4
-0.356572
0
cubic
225
5.224625
5.224625
5.224625
60
60
60
m-3m
48
1
cubic_F
mp-865950
AcAg3
9.089635
25.146786
0
0
Ac-Ag
Unknown
2
8
-0.200376
0
hexagonal
194
7.011841
7.012256
4.749346
90.000025
89.999979
120.516023
6/mmm
24
1
hexagonal_P
mp-862972
AcAgAu2
12.407549
24.38441
0.000004
0
Ac-Ag-Au
Unknown
3
4
-0.602282
0
cubic
225
5.166888
5.166888
5.166888
60
60
60
m-3m
48
1
cubic_F
mp-862873
AcAgHg2
11.341115
26.942605
0.001373
0
Ac-Ag-Hg
NM
3
4
-0.398352
0
cubic
225
5.341602
5.341602
5.341602
60
60
60
m-3m
48
1
cubic_F
mp-862617
AcAl3
5.209836
24.537916
0
0
Ac-Al
Unknown
2
8
-0.408916
0
hexagonal
194
6.980683
6.980691
4.651584
90
90
120.000038
6/mmm
24
1
hexagonal_P
mp-1183115
AcAlO3
8.72823
11.490283
0
0
Ac-Al-O
Unknown
3
5
-3.690019
4.1024
cubic
221
3.858634
3.858634
3.858634
90
90
90
m-3m
48
1
cubic_P
mp-867838
AcAu3
13.95495
24.331051
0
0
Ac-Au
Unknown
2
8
-0.771292
0
hexagonal
194
6.922867
6.922867
4.689735
89.999855
90.000148
120.000017
6/mmm
24
1
hexagonal_P
mp-866016
AcBiAu2
13.065394
26.369351
0
0
Ac-Au-Bi
Unknown
3
4
-0.703839
0
cubic
225
5.303448
5.303447
5.303448
59.999958
59.999959
59.99996
m-3m
48
1
cubic_F
mp-27972
AcBr3
5.679086
34.116118
0
0
Ac-Br
Unknown
2
8
-2.494519
4.1034
hexagonal
176
8.168264
8.168265
4.723451
90
90
120
6/m
12
1
hexagonal_P
mp-30274
AcBrO
7.65229
23.356568
0
0
Ac-Br-O
Unknown
3
6
-3.218186
4.2407
tetragonal
129
4.31037
4.31037
7.542774
90
90
90
4/mmm
16
1
tetragonal_P
mp-867890
AcCd3
8.312531
28.178271
0
0
Ac-Cd
Unknown
2
8
-0.301566
0
hexagonal
194
7.252494
7.204194
4.978653
89.998717
90.001763
119.933845
6/mmm
24
1
hexagonal_P
mp-867338
AcCdAg2
9.14744
25.194043
0.000022
0
Ac-Ag-Cd
Unknown
3
4
-0.214142
0
cubic
225
5.223452
5.223452
5.223452
60
60
60
m-3m
48
1
cubic_F
mp-1183071
AcCdAu2
12.220222
24.912529
0.000115
0
Ac-Au-Cd
Unknown
3
4
-0.665137
0
cubic
225
5.203924
5.203924
5.203924
60
60
60
m-3m
48
1
cubic_F
mp-864644
AcCdHg2
11.292803
27.224868
0.000007
0
Ac-Cd-Hg
Unknown
3
4
-0.466221
0
cubic
225
5.360191
5.360191
5.360191
60
60
60
m-3m
48
1
cubic_F
mp-861880
AcCdRh2
11.010988
20.555886
0.000036
0
Ac-Cd-Rh
Unknown
3
4
-0.354021
0
cubic
225
4.880943
4.880943
4.880943
60
60
60
m-3m
48
1
cubic_F
mp-1183117
AcCeMg2
5.253947
32.848129
1.163836
1
Ac-Ce-Mg
FM
3
4
0.047029
0
cubic
225
5.706396
5.706396
5.706396
60
60
60
m-3m
48
1
cubic_F
mp-27971
AcCl3
4.724439
29.292138
0
0
Ac-Cl
Unknown
2
8
-2.940649
5.0865
hexagonal
176
7.695636
7.695635
4.569003
90
90
119.999997
6/m
12
1
hexagonal_P
mp-30273
AcClO
7.156871
21.535534
0
0
Ac-Cl-O
Unknown
3
6
-3.381758
4.4457
tetragonal
129
4.259225
4.259225
7.122716
90
90
90
4/mmm
16
1
tetragonal_P
mp-866101
AcCrO3
8.848788
12.272569
3
0
Ac-Cr-O
Unknown
3
5
-3.138972
2.0031
cubic
221
3.944287
3.944302
3.944272
90
90
90
m-3m
48
1
cubic_P
mp-1183114
AcCu3
8.572205
20.225373
0
0
Ac-Cu
Unknown
2
8
-0.059556
0
hexagonal
194
6.632735
6.632735
4.246886
90
90
120.000005
6/mmm
24
1
hexagonal_P
mp-864606
AcCuO3
9.380471
11.985877
0.000002
0
Ac-Cu-O
Unknown
3
5
-2.422892
0
cubic
221
3.913331
3.913331
3.913331
90
90
90
m-3m
48
1
cubic_P
mp-985301
AcDy3
8.541777
34.72507
0.000424
0
Ac-Dy
NM
2
4
0.071244
0
tetragonal
139
6.314315
6.314315
6.314315
131.344586
131.344586
71.266173
4/mmm
16
1
tetragonal_I
mp-1183062
AcDy3
8.533131
34.760252
0.564974
0
Ac-Dy
Unknown
2
4
0.076281
0
cubic
221
5.180611
5.180611
5.18061
90
90
90
m-3m
48
1
cubic_P
mp-985300
AcEr3
8.909681
33.956399
0.219718
3
Ac-Er
FM
2
4
0.075355
0
cubic
221
5.140364
5.140364
5.140364
90
90
90
m-3m
48
1
cubic_P
mp-1183125
AcEu3
6.352772
44.624961
45.39397
6
Ac-Eu
FM
2
8
0.025466
0
hexagonal
194
7.999912
7.999912
6.4412
90
90
120
6/mmm
24
1
hexagonal_P
mp-1006278
AcEuAu2
11.535299
27.815185
7.413205
0
Ac-Au-Eu
Unknown
3
4
-0.779867
0
cubic
225
5.398656
5.398656
5.398656
60
60
60
m-3m
48
1
cubic_F
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