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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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