Datasets:
joshrosie
/
crystalite-datasets

Dataset card Data Studio Files
xet
 Community
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 10 new columns ({'Unnamed: 0.1', 'cif.conv', 'e_above_hull', 'spacegroup.number', 'formation_energy_per_atom', 'spacegroup.number.conv', 'band_gap', 'Unnamed: 0', 'pretty_formula', 'elements'}) and 8 missing columns ({'energy_above_hull', 'dft_mag_density', 'dft_bulk_modulus', 'dft_band_gap', 'chemical_system', 'ml_bulk_modulus', 'space_group', 'hhi_score'}).

This happened while the csv dataset builder was generating data using

hf://datasets/joshrosie/crystalite-datasets/mp20/raw/train.csv (at revision 7c9e20f63566808f62f9e0fd1ae69c7c084ac797), [/tmp/hf-datasets-cache/medium/datasets/62016976225450-config-parquet-and-info-joshrosie-crystalite-data-f6e4a0ba/hub/datasets--joshrosie--crystalite-datasets/snapshots/7c9e20f63566808f62f9e0fd1ae69c7c084ac797/alex_mp20/raw/train.csv (origin=hf://datasets/joshrosie/crystalite-datasets@7c9e20f63566808f62f9e0fd1ae69c7c084ac797/alex_mp20/raw/train.csv), /tmp/hf-datasets-cache/medium/datasets/62016976225450-config-parquet-and-info-joshrosie-crystalite-data-f6e4a0ba/hub/datasets--joshrosie--crystalite-datasets/snapshots/7c9e20f63566808f62f9e0fd1ae69c7c084ac797/mp20/raw/train.csv (origin=hf://datasets/joshrosie/crystalite-datasets@7c9e20f63566808f62f9e0fd1ae69c7c084ac797/mp20/raw/train.csv), /tmp/hf-datasets-cache/medium/datasets/62016976225450-config-parquet-and-info-joshrosie-crystalite-data-f6e4a0ba/hub/datasets--joshrosie--crystalite-datasets/snapshots/7c9e20f63566808f62f9e0fd1ae69c7c084ac797/mpts_52/raw/train.csv (origin=hf://datasets/joshrosie/crystalite-datasets@7c9e20f63566808f62f9e0fd1ae69c7c084ac797/mpts_52/raw/train.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/python3.12/site-packages/datasets/builder.py", line 1890, in _prepare_split_single
                  writer.write_table(table)
                File "/usr/local/lib/python3.12/site-packages/datasets/arrow_writer.py", line 760, in write_table
                  pa_table = table_cast(pa_table, self._schema)
                             ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2272, in table_cast
                  return cast_table_to_schema(table, schema)
                         ^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.12/site-packages/datasets/table.py", line 2218, in cast_table_to_schema
                  raise CastError(
              datasets.table.CastError: Couldn't cast
              Unnamed: 0.1: int64
              Unnamed: 0: int64
              material_id: string
              formation_energy_per_atom: double
              band_gap: double
              pretty_formula: string
              e_above_hull: double
              elements: string
              cif: string
              spacegroup.number: int64
              spacegroup.number.conv: int64
              cif.conv: string
              -- schema metadata --
              pandas: '{"index_columns": [{"kind": "range", "name": null, "start": 0, "' + 1754
              to
              {'cif': Value('string'), 'material_id': Value('string'), 'space_group': Value('string'), 'chemical_system': Value('string'), 'energy_above_hull': Value('float64'), 'dft_band_gap': Value('float64'), 'dft_bulk_modulus': Value('float64'), 'dft_mag_density': Value('float64'), 'hhi_score': Value('float64'), 'ml_bulk_modulus': 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 1347, in compute_config_parquet_and_info_response
                  parquet_operations = convert_to_parquet(builder)
                                       ^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/src/services/worker/src/worker/job_runners/config/parquet_and_info.py", line 980, in convert_to_parquet
                  builder.download_and_prepare(
                File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 884, in download_and_prepare
                  self._download_and_prepare(
                File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 947, in _download_and_prepare
                  self._prepare_split(split_generator, **prepare_split_kwargs)
                File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1739, in _prepare_split
                  for job_id, done, content in self._prepare_split_single(
                                               ^^^^^^^^^^^^^^^^^^^^^^^^^^^
                File "/usr/local/lib/python3.12/site-packages/datasets/builder.py", line 1892, 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 10 new columns ({'Unnamed: 0.1', 'cif.conv', 'e_above_hull', 'spacegroup.number', 'formation_energy_per_atom', 'spacegroup.number.conv', 'band_gap', 'Unnamed: 0', 'pretty_formula', 'elements'}) and 8 missing columns ({'energy_above_hull', 'dft_mag_density', 'dft_bulk_modulus', 'dft_band_gap', 'chemical_system', 'ml_bulk_modulus', 'space_group', 'hhi_score'}).
              
              This happened while the csv dataset builder was generating data using
              
              hf://datasets/joshrosie/crystalite-datasets/mp20/raw/train.csv (at revision 7c9e20f63566808f62f9e0fd1ae69c7c084ac797), [/tmp/hf-datasets-cache/medium/datasets/62016976225450-config-parquet-and-info-joshrosie-crystalite-data-f6e4a0ba/hub/datasets--joshrosie--crystalite-datasets/snapshots/7c9e20f63566808f62f9e0fd1ae69c7c084ac797/alex_mp20/raw/train.csv (origin=hf://datasets/joshrosie/crystalite-datasets@7c9e20f63566808f62f9e0fd1ae69c7c084ac797/alex_mp20/raw/train.csv), /tmp/hf-datasets-cache/medium/datasets/62016976225450-config-parquet-and-info-joshrosie-crystalite-data-f6e4a0ba/hub/datasets--joshrosie--crystalite-datasets/snapshots/7c9e20f63566808f62f9e0fd1ae69c7c084ac797/mp20/raw/train.csv (origin=hf://datasets/joshrosie/crystalite-datasets@7c9e20f63566808f62f9e0fd1ae69c7c084ac797/mp20/raw/train.csv), /tmp/hf-datasets-cache/medium/datasets/62016976225450-config-parquet-and-info-joshrosie-crystalite-data-f6e4a0ba/hub/datasets--joshrosie--crystalite-datasets/snapshots/7c9e20f63566808f62f9e0fd1ae69c7c084ac797/mpts_52/raw/train.csv (origin=hf://datasets/joshrosie/crystalite-datasets@7c9e20f63566808f62f9e0fd1ae69c7c084ac797/mpts_52/raw/train.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.

cif
string
material_id
string
space_group
string
chemical_system
string
energy_above_hull
float64
dft_band_gap
float64
dft_bulk_modulus
float64
dft_mag_density
float64
hhi_score
float64
ml_bulk_modulus
float64
# generated using pymatgen data_Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.04997384 _cell_length_b 4.04997384 _cell_length_c 6.68395700 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge _chemical_formula_sum Ge4 _cell_volume 94.94426022 _cell_formula_units_Z 4 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.66666667 0.33333333 0.56294200 1 Ge Ge1 1 0.33333333 0.66666667 0.06294200 1 Ge Ge2 1 0.66666667 0.33333333 0.93705800 1 Ge Ge3 1 0.33333333 0.66666667 0.43705800 1
mp-1007760
P6_3/mmc
Ge
0.008024
0
58.954219
0
1,900
59.947903
# generated using pymatgen data_Ge _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.08071612 _cell_length_b 4.08071612 _cell_length_c 13.24792600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Ge _chemical_formula_sum Ge8 _cell_volume 191.05186982 _cell_formula_units_Z 8 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ge Ge0 1 0.00000000 0.00000000 0.40676300 1 Ge Ge1 1 0.00000000 0.00000000 0.59323700 1 Ge Ge2 1 0.00000000 0.00000000 0.90676300 1 Ge Ge3 1 0.00000000 0.00000000 0.09323700 1 Ge Ge4 1 0.33333333 0.66666667 0.34429000 1 Ge Ge5 1 0.66666667 0.33333333 0.65571000 1 Ge Ge6 1 0.66666667 0.33333333 0.84429000 1 Ge Ge7 1 0.33333333 0.66666667 0.15571000 1
mp-1091415
P6_3/mmc
Ge
0
0
null
0
1,900
58.70816
# generated using pymatgen data_Pd2O3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.12818113 _cell_length_b 6.30997449 _cell_length_c 6.30997449 _cell_angle_alpha 107.64588639 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Pd2O3 _chemical_formula_sum 'Pd4 O6' _cell_volume 118.69061894 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Pd Pd0 1 0.00000000 0.50000000 0.50000000 1 Pd Pd1 1 0.50000000 0.00000000 0.50000000 1 Pd Pd2 1 0.00000000 0.00000000 0.00000000 1 Pd Pd3 1 0.50000000 0.50000000 0.00000000 1 O O4 1 -0.00000000 0.67114939 0.92649834 1 O O5 1 0.00000000 0.32885061 0.07350166 1 O O6 1 -0.00000000 0.92649834 0.67114939 1 O O7 1 0.00000000 0.07350166 0.32885061 1 O O8 1 0.50000000 0.63884019 0.36115981 1 O O9 1 0.50000000 0.36115981 0.63884019 1
alex<agm002297858>
Cmmm
O-Pd
0
null
null
0.000001
6,619.885814
169.217133
# generated using pymatgen data_Zr3Ti _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18990996 _cell_length_b 5.03891149 _cell_length_c 5.47743577 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Zr3Ti _chemical_formula_sum 'Zr3 Ti1' _cell_volume 88.04251665 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Zr Zr0 1 0.00000000 0.50000000 0.32929709 1 Zr Zr1 1 0.50000000 0.00000000 0.49569210 1 Zr Zr2 1 0.50000000 0.50000000 0.84259600 1 Ti Ti3 1 0.00000000 0.00000000 0.99896180 1
alex<agm001827697>
Pmm2
Ti-Zr
0.046593
null
null
-0.000004
2,451.131589
97.83326
# generated using pymatgen data_NdNiSb _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25979418 _cell_length_b 4.25979418 _cell_length_c 8.16926215 _cell_angle_alpha 105.11283999 _cell_angle_beta 105.11283998 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural NdNiSb _chemical_formula_sum 'Nd2 Ni2 Sb2' _cell_volume 137.79368548 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Nd Nd0 1 0.16720812 0.16720812 0.33441624 1 Nd Nd1 1 0.91720812 0.41720812 0.83441624 1 Ni Ni2 1 0.33572900 0.83572900 0.67145800 1 Ni Ni3 1 0.58572900 0.58572900 0.17145800 1 Sb Sb4 1 0.75109037 0.75109037 0.50218074 1 Sb Sb5 1 0.50109037 0.00109037 0.00218074 1
alex<agm002295859>
I4_1md
Nd-Ni-Sb
0.038214
null
null
-0
2,923.276092
84.285477
# generated using pymatgen data_Li2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.16427429 _cell_length_b 3.16427429 _cell_length_c 14.70977100 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mg _chemical_formula_sum 'Li4 Mg2' _cell_volume 127.55127042 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.66666667 0.33333333 0.91641300 1 Li Li1 1 0.33333333 0.66666667 0.75383000 1 Li Li2 1 0.66666667 0.33333333 0.24617000 1 Li Li3 1 0.33333333 0.66666667 0.08358700 1 Mg Mg4 1 0.66666667 0.33333333 0.58746900 1 Mg Mg5 1 0.33333333 0.66666667 0.41253100 1
mp-1094569
P-3m1
Li-Mg
0.041372
0
null
-0.000019
1,845.049362
20.420931
# generated using pymatgen data_TbMgZn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.37841086 _cell_length_b 5.37841086 _cell_length_c 5.37841086 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbMgZn4 _chemical_formula_sum 'Tb1 Mg1 Zn4' _cell_volume 110.01373964 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.00000000 0.00000000 0.00000000 1 Mg Mg1 1 0.25000000 0.25000000 0.25000000 1 Zn Zn2 1 0.62590213 0.62590214 0.62590214 1 Zn Zn3 1 0.62590213 0.12229359 0.62590214 1 Zn Zn4 1 0.62590213 0.62590214 0.12229359 1 Zn Zn5 1 0.12229358 0.62590214 0.62590214 1
alex<agm002221446>
F-43m
Mg-Tb-Zn
0.065664
null
null
0
2,252.203353
58.979637
# generated using pymatgen data_TbMgZn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.42819450 _cell_length_b 4.42819450 _cell_length_c 6.71582381 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbMgZn4 _chemical_formula_sum 'Tb1 Mg1 Zn4' _cell_volume 114.04685196 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.00000000 0.00000000 0.50000000 1 Mg Mg1 1 0.00000000 0.00000000 0.00000000 1 Zn Zn2 1 0.66666667 0.33333333 0.23372811 1 Zn Zn3 1 0.66666667 0.33333333 0.76627189 1 Zn Zn4 1 0.33333333 0.66666667 0.23372811 1 Zn Zn5 1 0.33333333 0.66666667 0.76627189 1
alex<agm003751607>
P6/mmm
Mg-Tb-Zn
0.014298
null
null
-0.000456
2,252.203353
63.387833
# generated using pymatgen data_Tb2MgZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.73792079 _cell_length_b 5.19686123 _cell_length_c 5.19686123 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2MgZn _chemical_formula_sum 'Tb2 Mg1 Zn1' _cell_volume 100.95139726 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.00000000 0.50000000 0.00000000 1 Tb Tb1 1 0.00000000 0.00000000 0.50000000 1 Mg Mg2 1 0.50000000 0.50000000 0.50000000 1 Zn Zn3 1 0.50000000 0.00000000 0.00000000 1
alex<agm001215015>
P4/mmm
Mg-Tb-Zn
0.056845
null
null
-0.000002
2,752.364888
50.468121
# generated using pymatgen data_Tb2MgZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.61969338 _cell_length_b 3.61969338 _cell_length_c 7.70331389 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2MgZn _chemical_formula_sum 'Tb2 Mg1 Zn1' _cell_volume 100.93020646 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.00000000 0.00000000 0.77443694 1 Tb Tb1 1 0.00000000 0.00000000 0.22556306 1 Mg Mg2 1 0.50000000 0.50000000 0.50000000 1 Zn Zn3 1 0.50000000 0.50000000 0.00000000 1
alex<agm001139177>
P4/mmm
Mg-Tb-Zn
0.027274
null
null
0.001118
2,752.364888
42.317913
# generated using pymatgen data_Tb2MgZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.20854879 _cell_length_b 5.20854879 _cell_length_c 5.20854879 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2MgZn _chemical_formula_sum 'Tb2 Mg1 Zn1' _cell_volume 99.91603977 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.25000000 0.25000000 0.25000000 1 Tb Tb1 1 0.75000000 0.75000000 0.75000000 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 0.50000000 0.50000000 0.50000000 1
alex<agm001094219>
Fm-3m
Mg-Tb-Zn
0.057875
null
null
0.00053
2,752.364888
50.969925
# generated using pymatgen data_Tb2MgZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.91994392 _cell_length_b 7.79408222 _cell_length_c 7.79408222 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2MgZn2 _chemical_formula_sum 'Tb4 Mg2 Zn4' _cell_volume 238.12764646 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.50000000 0.16688579 0.66688579 1 Tb Tb1 1 0.50000000 0.66688579 0.83311421 1 Tb Tb2 1 0.50000000 0.33311421 0.16688579 1 Tb Tb3 1 0.50000000 0.83311421 0.33311421 1 Mg Mg4 1 -0.00000000 0.50000000 0.50000000 1 Mg Mg5 1 0.00000000 0.00000000 0.00000000 1 Zn Zn6 1 0.00000000 0.87139945 0.62860055 1 Zn Zn7 1 0.00000000 0.37139945 0.87139945 1 Zn Zn8 1 0.00000000 0.62860055 0.12860055 1 Zn Zn9 1 -0.00000000 0.12860055 0.37139945 1
alex<agm002221439>
P4/mbm
Mg-Tb-Zn
0.025589
null
null
-0.000002
2,634.488704
64.781311
# generated using pymatgen data_Tb2MgZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.49518384 _cell_length_b 5.67774465 _cell_length_c 5.67774465 _cell_angle_alpha 65.36691244 _cell_angle_beta 66.68038002 _cell_angle_gamma 66.68038002 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2MgZn2 _chemical_formula_sum 'Tb2 Mg1 Zn2' _cell_volume 116.24422409 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.79630653 0.70369347 0.70369347 1 Tb Tb1 1 0.20369347 0.29630653 0.29630653 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Zn Zn3 1 0.50000000 0.28634813 0.71365187 1 Zn Zn4 1 0.50000000 0.71365187 0.28634813 1
alex<agm002344158>
Immm
Mg-Tb-Zn
0.07245
null
null
0.000199
2,634.488704
56.902267
# generated using pymatgen data_Tb3Mg2Zn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55209213 _cell_length_b 5.13652979 _cell_length_c 10.66308090 _cell_angle_alpha 103.93705595 _cell_angle_beta 99.58788809 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Mg2Zn3 _chemical_formula_sum 'Tb3 Mg2 Zn3' _cell_volume 186.02371189 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.37780267 0.37780268 0.75560535 1 Tb Tb1 1 0.62219733 0.62219732 0.24439465 1 Tb Tb2 1 0.50000000 1.00000000 1.00000000 1 Mg Mg3 1 0.26644128 0.76644127 0.53288255 1 Mg Mg4 1 0.73355872 0.23355873 0.46711745 1 Zn Zn5 1 0.87793505 0.87793505 0.75587010 1 Zn Zn6 1 0.00000000 0.50000000 0.00000000 1 Zn Zn7 1 0.12206495 0.12206495 0.24412990 1
alex<agm003328641>
Immm
Mg-Tb-Zn
0.075007
null
null
0.000208
2,598.542328
58.910198
# generated using pymatgen data_Tb4MgZn5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57169903 _cell_length_b 3.57169903 _cell_length_c 17.38521146 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb4MgZn5 _chemical_formula_sum 'Tb4 Mg1 Zn5' _cell_volume 221.78373301 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.00000000 0.00000000 0.19386478 1 Tb Tb1 1 0.00000000 0.00000000 0.39721660 1 Tb Tb2 1 0.00000000 0.00000000 0.60278340 1 Tb Tb3 1 0.00000000 0.00000000 0.80613522 1 Mg Mg4 1 0.00000000 0.00000000 0.00000000 1 Zn Zn5 1 0.50000000 0.50000000 0.08743108 1 Zn Zn6 1 0.50000000 0.50000000 0.29470287 1 Zn Zn7 1 0.50000000 0.50000000 0.50000000 1 Zn Zn8 1 0.50000000 0.50000000 0.70529713 1 Zn Zn9 1 0.50000000 0.50000000 0.91256892 1
alex<agm003645304>
P4/mmm
Mg-Tb-Zn
0.058066
null
null
0.001328
2,638.37561
72.678596
# generated using pymatgen data_Li2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.03963800 _cell_length_b 5.83837013 _cell_length_c 7.51082844 _cell_angle_alpha 106.42167407 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.08879134 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mg _chemical_formula_sum 'Li4 Mg2' _cell_volume 123.05553455 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.19553800 0.39107600 0.63946400 1 Li Li1 1 0.86023500 0.72047000 0.97034700 1 Li Li2 1 0.13976500 0.27953000 0.02965300 1 Li Li3 1 0.80446200 0.60892400 0.36053600 1 Mg Mg4 1 0.47283400 0.94566800 0.69629100 1 Mg Mg5 1 0.52716600 0.05433200 0.30370900 1
mp-1094601
C2/m
Li-Mg
0.009168
0
null
-0.000123
1,845.049362
21.328773
# generated using pymatgen data_Tb2MgZn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.50114337 _cell_length_b 3.50114337 _cell_length_c 10.52835245 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2MgZn3 _chemical_formula_sum 'Tb2 Mg1 Zn3' _cell_volume 129.05659589 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.50000000 0.50000000 0.82662120 1 Tb Tb1 1 0.50000000 0.50000000 0.17337880 1 Mg Mg2 1 0.50000000 0.50000000 0.50000000 1 Zn Zn3 1 0.00000000 0.00000000 0.00000000 1 Zn Zn4 1 0.00000000 0.00000000 0.64692064 1 Zn Zn5 1 0.00000000 0.00000000 0.35307936 1
alex<agm003435598>
P4/mmm
Mg-Tb-Zn
0.092642
null
null
0.000814
2,545.254463
64.194702
# generated using pymatgen data_Tb2MgZn7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.13794376 _cell_length_b 4.13794376 _cell_length_c 11.25774951 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2MgZn7 _chemical_formula_sum 'Tb2 Mg1 Zn7' _cell_volume 192.76170040 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.50000000 0.00000000 0.73354410 1 Tb Tb1 1 -0.00000000 0.50000000 0.26645590 1 Mg Mg2 1 0.50000000 0.50000000 0.00000000 1 Zn Zn3 1 -0.00000000 0.50000000 0.85036350 1 Zn Zn4 1 0.50000000 0.00000000 0.36926900 1 Zn Zn5 1 0.50000000 0.00000000 0.14963650 1 Zn Zn6 1 -0.00000000 0.50000000 0.63073100 1 Zn Zn7 1 0.00000000 0.00000000 0.50000000 1 Zn Zn8 1 0.00000000 0.00000000 0.00000000 1 Zn Zn9 1 0.50000000 0.50000000 0.50000000 1
alex<agm003511031>
P-4m2
Mg-Tb-Zn
0.046451
null
null
0.000137
2,334.23215
65.479164
# generated using pymatgen data_Tb2Mg3Zn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.43767398 _cell_length_b 5.66506543 _cell_length_c 7.18279253 _cell_angle_alpha 97.85515395 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.05846061 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2Mg3Zn2 _chemical_formula_sum 'Tb2 Mg3 Zn2' _cell_volume 164.30349031 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.62756701 0.25513403 0.35630189 1 Tb Tb1 1 0.37243299 0.74486597 0.64369811 1 Mg Mg2 1 0.31418704 0.62837408 0.13788808 1 Mg Mg3 1 0.00000000 0.00000000 0.00000000 1 Mg Mg4 1 0.68581296 0.37162592 0.86211192 1 Zn Zn5 1 0.08310196 0.16620392 0.65000762 1 Zn Zn6 1 0.91689804 0.83379608 0.34999238 1
alex<agm003307392>
C2/m
Mg-Tb-Zn
0.084648
null
null
0.000102
2,435.560908
48.765774
# generated using pymatgen data_Tb3Mg2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69573578 _cell_length_b 3.69573578 _cell_length_c 11.35856510 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Mg2Zn _chemical_formula_sum 'Tb3 Mg2 Zn1' _cell_volume 155.14054065 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.00000000 0.00000000 0.00000000 1 Tb Tb1 1 0.00000000 0.00000000 0.65019051 1 Tb Tb2 1 0.00000000 0.00000000 0.34980949 1 Mg Mg3 1 0.50000000 0.50000000 0.82656285 1 Mg Mg4 1 0.50000000 0.50000000 0.17343715 1 Zn Zn5 1 0.50000000 0.50000000 0.50000000 1
alex<agm003438183>
P4/mmm
Mg-Tb-Zn
0.034588
null
null
0
2,753.218489
41.404343
# generated using pymatgen data_Tb5Mg4Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74080703 _cell_length_b 3.74080703 _cell_length_c 18.96460134 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5Mg4Zn _chemical_formula_sum 'Tb5 Mg4 Zn1' _cell_volume 265.38375147 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.50000000 0.50000000 0.08919821 1 Tb Tb1 1 0.50000000 0.50000000 0.29546798 1 Tb Tb2 1 0.50000000 0.50000000 0.50000000 1 Tb Tb3 1 0.50000000 0.50000000 0.70453202 1 Tb Tb4 1 0.50000000 0.50000000 0.91080179 1 Mg Mg5 1 0.00000000 0.00000000 0.19356950 1 Mg Mg6 1 0.00000000 0.00000000 0.39780019 1 Mg Mg7 1 0.00000000 0.00000000 0.60219981 1 Mg Mg8 1 0.00000000 0.00000000 0.80643050 1 Zn Zn9 1 0.00000000 0.00000000 0.00000000 1
alex<agm003645303>
P4/mmm
Mg-Tb-Zn
0.042016
null
null
0.000017
2,753.945354
46.838455
# generated using pymatgen data_TbMg2Zn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19885333 _cell_length_b 5.75358865 _cell_length_c 8.08237768 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 110.90402828 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbMg2Zn _chemical_formula_sum 'Tb2 Mg4 Zn2' _cell_volume 182.40592292 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.55909802 0.11793674 0.75000000 1 Tb Tb1 1 0.44090198 0.88206326 0.25000000 1 Mg Mg2 1 0.14291652 0.28448409 0.44549160 1 Mg Mg3 1 0.85708348 0.71551591 0.55450840 1 Mg Mg4 1 0.14291652 0.28448409 0.05450840 1 Mg Mg5 1 0.85708348 0.71551591 0.94549160 1 Zn Zn6 1 0.73133987 0.46530299 0.25000000 1 Zn Zn7 1 0.26866013 0.53469701 0.75000000 1
alex<agm002286644>
Cmcm
Mg-Tb-Zn
0.077572
null
null
0
2,349.382521
48.344337
# generated using pymatgen data_Tb3Mg3Zn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.76370576 _cell_length_b 7.84026093 _cell_length_c 7.84026093 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Mg3Zn2 _chemical_formula_sum 'Tb3 Mg3 Zn2' _cell_volume 200.35829558 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.50000000 0.58656521 0.58656521 1 Tb Tb1 1 0.50000000 0.41343479 0.00000000 1 Tb Tb2 1 0.50000000 0.00000000 0.41343479 1 Mg Mg3 1 -0.00000000 0.23297331 0.23297331 1 Mg Mg4 1 1.00000000 0.76702669 0.00000000 1 Mg Mg5 1 1.00000000 -0.00000000 0.76702669 1 Zn Zn6 1 1.00000000 0.66666667 0.33333333 1 Zn Zn7 1 1.00000000 0.33333333 0.66666667 1
alex<agm003332152>
P-62m
Mg-Tb-Zn
0.09392
null
null
0.002466
2,590.733297
52.182686
# generated using pymatgen data_Tb5MgZn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59491164 _cell_length_b 3.59491164 _cell_length_c 18.45564660 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5MgZn4 _chemical_formula_sum 'Tb5 Mg1 Zn4' _cell_volume 238.50951317 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.50000000 0.50000000 0.11770499 1 Tb Tb1 1 0.50000000 0.50000000 0.30816993 1 Tb Tb2 1 0.50000000 0.50000000 0.50000000 1 Tb Tb3 1 0.50000000 0.50000000 0.69183007 1 Tb Tb4 1 0.50000000 0.50000000 0.88229501 1 Mg Mg5 1 0.00000000 0.00000000 0.00000000 1 Zn Zn6 1 0.00000000 0.00000000 0.20955380 1 Zn Zn7 1 0.00000000 0.00000000 0.40349245 1 Zn Zn8 1 0.00000000 0.00000000 0.59650755 1 Zn Zn9 1 0.00000000 0.00000000 0.79044620 1
alex<agm003645302>
P4/mmm
Mg-Tb-Zn
0.008003
null
null
0.002526
2,750.964782
66.442451
# generated using pymatgen data_TbMgZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27330394 _cell_length_b 7.50328346 _cell_length_c 7.50328346 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbMgZn _chemical_formula_sum 'Tb3 Mg3 Zn3' _cell_volume 208.35173540 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 1.00000000 1.00000000 0.58802162 1 Tb Tb1 1 0.00000000 0.41197838 0.41197838 1 Tb Tb2 1 1.00000000 0.58802162 0.00000000 1 Mg Mg3 1 0.50000000 0.75481632 0.75481632 1 Mg Mg4 1 0.50000000 0.24518368 0.00000000 1 Mg Mg5 1 0.50000000 1.00000000 0.24518368 1 Zn Zn6 1 0.50000000 0.66666667 0.33333333 1 Zn Zn7 1 0.00000000 0.00000000 0.00000000 1 Zn Zn8 1 0.50000000 0.33333333 0.66666667 1
alex<agm002161585>
P-62m
Mg-Tb-Zn
0.01995
null
null
-0.000001
2,530.163407
53.807426
# generated using pymatgen data_TbMgZn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.05194998 _cell_length_b 5.05194998 _cell_length_c 6.14618149 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbMgZn _chemical_formula_sum 'Tb2 Mg2 Zn2' _cell_volume 135.84826490 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.33333333 0.66666667 0.75000000 1 Tb Tb1 1 0.66666667 0.33333333 0.25000000 1 Mg Mg2 1 0.00000000 0.00000000 0.00000000 1 Mg Mg3 1 0.00000000 0.00000000 0.50000000 1 Zn Zn4 1 0.66666667 0.33333333 0.75000000 1 Zn Zn5 1 0.33333333 0.66666667 0.25000000 1
alex<agm003611308>
P6_3/mmc
Mg-Tb-Zn
0.030218
null
null
-0.000295
2,530.163407
54.500542
# generated using pymatgen data_Tb3MgZn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59671886 _cell_length_b 3.59671886 _cell_length_c 11.31269232 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3MgZn2 _chemical_formula_sum 'Tb3 Mg1 Zn2' _cell_volume 146.34536086 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.00000000 0.00000000 0.00000000 1 Tb Tb1 1 0.00000000 0.00000000 0.68981416 1 Tb Tb2 1 0.00000000 0.00000000 0.31018584 1 Mg Mg3 1 0.50000000 0.50000000 0.50000000 1 Zn Zn4 1 0.50000000 0.50000000 0.84065912 1 Zn Zn5 1 0.50000000 0.50000000 0.15934088 1
alex<agm002286292>
P4/mmm
Mg-Tb-Zn
0.015432
null
null
0.001772
2,751.566813
58.90984
# generated using pymatgen data_Tb5MgZn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.65303849 _cell_length_b 8.85068291 _cell_length_c 8.85068291 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5MgZn3 _chemical_formula_sum 'Tb10 Mg2 Zn6' _cell_volume 451.34042253 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 -0.00000000 0.33333333 0.66666667 1 Tb Tb1 1 0.50000000 0.66666667 0.33333333 1 Tb Tb2 1 1.00000000 0.66666667 0.33333333 1 Tb Tb3 1 0.50000000 0.33333333 0.66666667 1 Tb Tb4 1 0.75000000 0.31506171 0.31506171 1 Tb Tb5 1 0.75000000 0.00000000 0.68493829 1 Tb Tb6 1 0.75000000 0.68493829 0.00000000 1 Tb Tb7 1 0.25000000 0.68493829 0.68493829 1 Tb Tb8 1 0.25000000 0.00000000 0.31506171 1 Tb Tb9 1 0.25000000 0.31506171 0.00000000 1 Mg Mg10 1 0.00000000 0.00000000 0.00000000 1 Mg Mg11 1 0.50000000 -0.00000000 1.00000000 1 Zn Zn12 1 0.75000000 0.65132318 0.65132318 1 Zn Zn13 1 0.75000000 0.00000000 0.34867682 1 Zn Zn14 1 0.75000000 0.34867682 -0.00000000 1 Zn Zn15 1 0.25000000 0.34867682 0.34867682 1 Zn Zn16 1 0.25000000 -0.00000000 0.65132318 1 Zn Zn17 1 0.25000000 0.65132318 0.00000000 1
alex<agm003567591>
P6_3/mcm
Mg-Tb-Zn
0.077316
null
null
0.000006
2,805.794389
64.645058
# generated using pymatgen data_Tb3(MgZn2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.94480873 _cell_length_b 4.94480873 _cell_length_c 9.15329036 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3(MgZn2)2 _chemical_formula_sum 'Tb3 Mg2 Zn4' _cell_volume 193.82369366 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.66666667 0.33333333 0.59664418 1 Tb Tb1 1 0.00000000 0.00000000 0.00000000 1 Tb Tb2 1 0.33333333 0.66666667 0.40335582 1 Mg Mg3 1 0.66666667 0.33333333 0.22209591 1 Mg Mg4 1 0.33333333 0.66666667 0.77790409 1 Zn Zn5 1 0.33333333 0.66666667 0.08677453 1 Zn Zn6 1 0.00000000 0.00000000 0.65592828 1 Zn Zn7 1 0.00000000 0.00000000 0.34407172 1 Zn Zn8 1 0.66666667 0.33333333 0.91322547 1
alex<agm003342927>
P-3m1
Mg-Tb-Zn
0.068067
null
null
0.000324
2,540.486833
54.965134
# generated using pymatgen data_Sm2GaAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.22834613 _cell_length_b 5.22834613 _cell_length_c 5.22834613 _cell_angle_alpha 60.00000000 _cell_angle_beta 60.00000000 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2GaAg _chemical_formula_sum 'Sm2 Ga1 Ag1' _cell_volume 101.05969798 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.25000000 0.25000000 0.25000000 1 Sm Sm1 1 0.75000000 0.75000000 0.75000000 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Ag Ag3 1 0.50000000 0.50000000 0.50000000 1
mp-1187000
Fm-3m
Ag-Ga-Sm
0.013083
0
null
0.000005
2,541.694989
59.398724
# generated using pymatgen data_Sm2GaAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.69248786 _cell_length_b 5.22880915 _cell_length_c 5.22880915 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2GaAg _chemical_formula_sum 'Sm2 Ga1 Ag1' _cell_volume 100.95426172 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.50000000 0.00000000 1 Sm Sm1 1 0.00000000 0.00000000 0.50000000 1 Ga Ga2 1 0.50000000 0.00000000 -0.00000000 1 Ag Ag3 1 0.50000000 0.50000000 0.50000000 1
alex<agm001205769>
P4/mmm
Ag-Ga-Sm
0.062956
null
null
0.00332
2,541.694989
60.866558
# generated using pymatgen data_Sm2GaAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.62491530 _cell_length_b 3.62491530 _cell_length_c 7.57270667 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2GaAg _chemical_formula_sum 'Sm2 Ga1 Ag1' _cell_volume 99.50544843 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.00000000 0.75841444 1 Sm Sm1 1 0.00000000 0.00000000 0.24158556 1 Ga Ga2 1 0.50000000 0.50000000 0.00000000 1 Ag Ag3 1 0.50000000 0.50000000 0.50000000 1
alex<agm001133136>
P4/mmm
Ag-Ga-Sm
0.043857
null
null
0.000002
2,541.694989
58.439545
# generated using pymatgen data_SmGa3Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.26964800 _cell_length_b 4.26964800 _cell_length_c 6.25562929 _cell_angle_alpha 109.95393102 _cell_angle_beta 109.95393100 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmGa3Ag _chemical_formula_sum 'Sm1 Ga3 Ag1' _cell_volume 99.87911029 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 0.75000000 0.25000000 0.50000000 1 Ga Ga2 1 0.61158400 0.61158400 0.22316800 1 Ga Ga3 1 0.38841600 0.38841600 0.77683200 1 Ag Ag4 1 0.25000000 0.75000000 0.50000000 1
mp-1218984
I-4m2
Ag-Ga-Sm
0
0
null
0.000002
2,170.643256
64.828239
# generated using pymatgen data_Sm4Ga7Ag5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44315200 _cell_length_b 7.09936000 _cell_length_c 10.37123865 _cell_angle_alpha 89.76578317 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm4Ga7Ag5 _chemical_formula_sum 'Sm4 Ga7 Ag5' _cell_volume 327.14280200 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.50000000 0.21690700 0.82994400 1 Sm Sm1 1 0.50000000 0.71796700 0.66967700 1 Sm Sm2 1 0.00000000 0.78441300 0.16916400 1 Sm Sm3 1 0.00000000 0.28251700 0.33022700 1 Ga Ga4 1 0.50000000 0.07771700 0.15231100 1 Ga Ga5 1 0.50000000 0.57803700 0.34797900 1 Ga Ga6 1 0.00000000 0.92142700 0.84789000 1 Ga Ga7 1 0.00000000 0.42191100 0.65227700 1 Ga Ga8 1 0.50000000 0.79724200 0.96234000 1 Ga Ga9 1 0.00000000 0.70202900 0.46252900 1 Ga Ga10 1 0.00000000 0.20298300 0.03773100 1 Ag Ag11 1 0.50000000 0.45940700 0.09754300 1 Ag Ag12 1 0.50000000 0.95660400 0.40098300 1 Ag Ag13 1 0.00000000 0.54105400 0.90223700 1 Ag Ag14 1 0.00000000 0.04024900 0.59798300 1 Ag Ag15 1 0.50000000 0.29953500 0.53918600 1
mp-1219151
Pm
Ag-Ga-Sm
0
0
null
0.000027
2,177.533057
61.107101
# generated using pymatgen data_Sm2Ga3Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.88729709 _cell_length_b 5.88729709 _cell_length_c 8.67328939 _cell_angle_alpha 106.31589764 _cell_angle_beta 106.31589764 _cell_angle_gamma 99.91850213 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2Ga3Ag _chemical_formula_sum 'Sm4 Ga6 Ag2' _cell_volume 266.39882460 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.25000000 0.75000000 0.50000000 1 Sm Sm1 1 0.25681768 0.25681768 1.00000000 1 Sm Sm2 1 0.75000000 0.25000000 0.50000000 1 Sm Sm3 1 0.74318232 0.74318232 1.00000000 1 Ga Ga4 1 0.83700240 0.32858350 0.16558590 1 Ga Ga5 1 0.67141650 0.16299760 0.83441410 1 Ga Ga6 1 0.16299760 0.67141650 0.83441410 1 Ga Ga7 1 0.32858350 0.83700240 0.16558590 1 Ga Ga8 1 0.16304466 0.16304466 0.32608931 1 Ga Ga9 1 0.83695534 0.83695534 0.67391069 1 Ag Ag10 1 0.66804771 0.66804771 0.33609542 1 Ag Ag11 1 0.33195229 0.33195229 0.66390458 1
alex<agm003412709>
Fmmm
Ag-Ga-Sm
0.020616
null
null
-0.000002
2,396.845524
67.614655
# generated using pymatgen data_Li2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.99747400 _cell_length_b 5.26491600 _cell_length_c 5.27473284 _cell_angle_alpha 119.93845417 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mg _chemical_formula_sum 'Li4 Mg2' _cell_volume 120.26578624 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.75000000 0.00080400 0.33412700 1 Li Li1 1 0.75000000 0.66666667 0.66587300 1 Li Li2 1 0.25000000 0.33333333 0.33412700 1 Li Li3 1 0.25000000 0.99919600 0.66587300 1 Mg Mg4 1 0.75000000 0.33075000 0.00000000 1 Mg Mg5 1 0.25000000 0.66925000 -0.00000000 1
mp-1094586
Cmcm
Li-Mg
0.010678
0
null
-0.000008
1,845.049362
22.107143
# generated using pymatgen data_Sm2Ga3Ag5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.98800997 _cell_length_b 8.90242356 _cell_length_c 8.90242356 _cell_angle_alpha 82.10072299 _cell_angle_beta 70.34757064 _cell_angle_gamma 70.34757064 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2Ga3Ag5 _chemical_formula_sum 'Sm4 Ga6 Ag10' _cell_volume 420.73336636 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.26448909 0.86604780 0.60497403 1 Sm Sm1 1 0.23551091 0.39502597 0.13395220 1 Sm Sm2 1 0.73551091 0.13395220 0.39502597 1 Sm Sm3 1 0.76448909 0.60497403 0.86604780 1 Ga Ga4 1 0.13573279 0.23343838 0.49509604 1 Ga Ga5 1 0.36426721 0.50490396 0.76656162 1 Ga Ga6 1 0.86426721 0.76656162 0.50490396 1 Ga Ga7 1 0.63573279 0.49509604 0.23343838 1 Ga Ga8 1 0.25000000 0.00000000 0.00000000 1 Ga Ga9 1 0.75000000 0.00000000 0.00000000 1 Ag Ag10 1 0.34843131 0.04353569 0.25960169 1 Ag Ag11 1 0.15156869 0.74039831 0.95646431 1 Ag Ag12 1 0.65156869 0.95646431 0.74039831 1 Ag Ag13 1 0.84843131 0.25960169 0.04353569 1 Ag Ag14 1 0.25000000 0.24374998 0.75625002 1 Ag Ag15 1 0.75000000 0.75625002 0.24374998 1 Ag Ag16 1 0.25000000 0.50000000 0.50000000 1 Ag Ag17 1 0.75000000 0.50000000 0.50000000 1 Ag Ag18 1 0.25000000 0.75625002 0.24374998 1 Ag Ag19 1 0.75000000 0.24374998 0.75625002 1
alex<agm003346224>
Ibam
Ag-Ga-Sm
0.090441
null
null
0.000004
1,986.91469
56.739216
# generated using pymatgen data_Sm2Ga5Ag3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.09805543 _cell_length_b 8.83094050 _cell_length_c 8.83094050 _cell_angle_alpha 73.72549777 _cell_angle_beta 69.80193667 _cell_angle_gamma 69.80193667 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2Ga5Ag3 _chemical_formula_sum 'Sm4 Ga10 Ag6' _cell_volume 411.80912721 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.12893081 0.60608096 0.13605741 1 Sm Sm1 1 0.62893081 0.13605741 0.60608096 1 Sm Sm2 1 0.87106919 0.39391904 0.86394259 1 Sm Sm3 1 0.37106919 0.86394259 0.39391904 1 Ga Ga4 1 0.38736236 0.27050487 0.95477040 1 Ga Ga5 1 0.88736236 0.95477040 0.27050487 1 Ga Ga6 1 0.61263764 0.72949513 0.04522960 1 Ga Ga7 1 0.11263764 0.04522960 0.72949513 1 Ga Ga8 1 0.46878683 0.78121317 0.78121317 1 Ga Ga9 1 0.53121317 0.21878683 0.21878683 1 Ga Ga10 1 0.75000000 0.50000000 0.50000000 1 Ga Ga11 1 0.25000000 0.50000000 0.50000000 1 Ga Ga12 1 0.03121317 0.21878683 0.21878683 1 Ga Ga13 1 0.96878683 0.78121317 0.78121317 1 Ag Ag14 1 0.35994895 0.53313914 0.74696297 1 Ag Ag15 1 0.85994895 0.74696297 0.53313914 1 Ag Ag16 1 0.64005105 0.46686086 0.25303703 1 Ag Ag17 1 0.14005105 0.25303703 0.46686086 1 Ag Ag18 1 0.25000000 0.00000000 0.00000000 1 Ag Ag19 1 0.75000000 0.00000000 0.00000000 1
alex<agm003346223>
Ibam
Ag-Ga-Sm
0.043434
null
null
0
2,104.598209
61.311386
# generated using pymatgen data_Sm2Ga4Ag3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.90281065 _cell_length_b 7.82424629 _cell_length_c 8.48234177 _cell_angle_alpha 90.00000000 _cell_angle_beta 110.36179544 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2Ga4Ag3 _chemical_formula_sum 'Sm4 Ga8 Ag6' _cell_volume 367.27806332 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.89422965 0.59284860 0.78845929 1 Sm Sm1 1 0.10577035 0.40715140 0.21154071 1 Sm Sm2 1 0.60577035 0.09284860 0.21154071 1 Sm Sm3 1 0.39422965 0.90715140 0.78845929 1 Ga Ga4 1 0.31257340 0.75000000 0.12514680 1 Ga Ga5 1 0.18742660 0.25000000 0.87485320 1 Ga Ga6 1 0.68742660 0.25000000 0.87485320 1 Ga Ga7 1 0.81257340 0.75000000 0.12514680 1 Ga Ga8 1 0.82681673 0.97970857 0.65363346 1 Ga Ga9 1 0.17318327 0.02029143 0.34636654 1 Ga Ga10 1 0.67318327 0.47970857 0.34636654 1 Ga Ga11 1 0.32681673 0.52029143 0.65363346 1 Ag Ag12 1 0.00000000 0.00000000 0.00000000 1 Ag Ag13 1 0.50000000 0.50000000 -0.00000000 1 Ag Ag14 1 0.48022698 0.75000000 0.46045397 1 Ag Ag15 1 0.01977302 0.25000000 0.53954603 1 Ag Ag16 1 0.51977302 0.25000000 0.53954603 1 Ag Ag17 1 0.98022698 0.75000000 0.46045397 1
alex<agm003335087>
Cmce
Ag-Ga-Sm
0.091863
null
null
0.000002
2,120.391986
66.825615
# generated using pymatgen data_Sm8GaAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.28038239 _cell_length_b 7.07360180 _cell_length_c 9.47764364 _cell_angle_alpha 106.49675886 _cell_angle_beta 106.17490158 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm8GaAg2 _chemical_formula_sum 'Sm8 Ga1 Ag2' _cell_volume 324.78928172 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.40883685 0.54269288 0.81767369 1 Sm Sm1 1 0.66789292 0.98171585 0.33578583 1 Sm Sm2 1 0.80211892 0.68197245 0.60423784 1 Sm Sm3 1 0.97457416 0.22106079 0.94914833 1 Sm Sm4 1 0.19788108 0.31802755 0.39576216 1 Sm Sm5 1 0.33210708 0.01828415 0.66421417 1 Sm Sm6 1 0.59116315 0.45730712 0.18232631 1 Sm Sm7 1 0.02542584 0.77893921 0.05085167 1 Ga Ga8 1 0.50000000 0.00000000 1.00000000 1 Ag Ag9 1 0.81965554 0.27995431 0.63931109 1 Ag Ag10 1 0.18034446 0.72004569 0.36068891 1
alex<agm003529952>
C2/m
Ag-Ga-Sm
0.08804
null
null
0
2,797.367764
48.419792
# generated using pymatgen data_SmGaAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65902747 _cell_length_b 4.65902747 _cell_length_c 7.14132877 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmGaAg _chemical_formula_sum 'Sm2 Ga2 Ag2' _cell_volume 134.24564359 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.33333333 0.66666667 0.50000000 1 Sm Sm1 1 0.33333333 0.66666667 0.00000000 1 Ga Ga2 1 0.00000000 0.00000000 0.78229287 1 Ga Ga3 1 0.00000000 0.00000000 0.21770713 1 Ag Ag4 1 0.66666667 0.33333333 0.25904642 1 Ag Ag5 1 0.66666667 0.33333333 0.74095358 1
alex<agm002275377>
P-6m2
Ag-Ga-Sm
0.009112
null
null
-0
2,285.721717
62.6465
# generated using pymatgen data_SmGaAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69056657 _cell_length_b 4.69056657 _cell_length_c 6.99400008 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmGaAg _chemical_formula_sum 'Sm2 Ga2 Ag2' _cell_volume 133.26216745 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.00000000 0.00000000 1 Sm Sm1 1 0.00000000 0.00000000 0.50000000 1 Ga Ga2 1 0.66666667 0.33333333 0.75000000 1 Ga Ga3 1 0.33333333 0.66666667 0.25000000 1 Ag Ag4 1 0.66666667 0.33333333 0.25000000 1 Ag Ag5 1 0.33333333 0.66666667 0.75000000 1
alex<agm002372916>
P6_3/mmc
Ag-Ga-Sm
0.036208
null
null
-0.000002
2,285.721717
68.50901
# generated using pymatgen data_SmGaAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.59617437 _cell_length_b 4.65840886 _cell_length_c 4.65840886 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmGaAg _chemical_formula_sum 'Sm1 Ga1 Ag1' _cell_volume 67.58441818 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.50000000 0.66666667 0.33333333 1 Ga Ga1 1 0.00000000 0.00000000 0.00000000 1 Ag Ag2 1 -0.00000000 0.33333333 0.66666667 1
alex<agm001266465>
P-6m2
Ag-Ga-Sm
0.012234
null
null
0
2,285.721717
66.240479
# generated using pymatgen data_SmGaAg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.99233053 _cell_length_b 7.62204592 _cell_length_c 7.62204592 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmGaAg _chemical_formula_sum 'Sm3 Ga3 Ag3' _cell_volume 200.86313809 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.50000000 0.40811899 1.00000000 1 Sm Sm1 1 0.50000000 1.00000000 0.40811899 1 Sm Sm2 1 0.50000000 0.59188101 0.59188101 1 Ga Ga3 1 -0.00000000 0.25371078 0.25371078 1 Ga Ga4 1 0.00000000 1.00000000 0.74628922 1 Ga Ga5 1 0.00000000 0.74628922 1.00000000 1 Ag Ag6 1 0.00000000 0.66666667 0.33333333 1 Ag Ag7 1 0.00000000 0.33333333 0.66666667 1 Ag Ag8 1 0.50000000 1.00000000 1.00000000 1
alex<agm002275378>
P-62m
Ag-Ga-Sm
0.068745
null
null
-0.000037
2,285.721717
70.572838
# generated using pymatgen data_SmGaAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.78859675 _cell_length_b 5.60910781 _cell_length_c 6.34973745 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmGaAg2 _chemical_formula_sum 'Sm2 Ga2 Ag4' _cell_volume 170.55239495 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.50000000 0.63756618 0.50000000 1 Sm Sm1 1 0.00000000 0.36243382 0.00000000 1 Ga Ga2 1 0.50000000 0.73178019 0.00000000 1 Ga Ga3 1 0.00000000 0.26821981 0.50000000 1 Ag Ag4 1 0.50000000 0.14572168 0.73874109 1 Ag Ag5 1 -0.00000000 0.85427832 0.76125891 1 Ag Ag6 1 0.50000000 0.14572168 0.26125891 1 Ag Ag7 1 -0.00000000 0.85427832 0.23874109 1
alex<agm003628466>
Pmmn
Ag-Ga-Sm
0.076434
null
null
-0.00008
2,066.499701
45.210514
# generated using pymatgen data_SmGa4Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.27544772 _cell_length_b 5.76983209 _cell_length_c 5.76983209 _cell_angle_alpha 72.08819651 _cell_angle_beta 68.25353167 _cell_angle_gamma 68.25353167 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmGa4Ag _chemical_formula_sum 'Sm1 Ga4 Ag1' _cell_volume 120.37990206 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 0.66080610 0.13544312 0.54294468 1 Ga Ga2 1 0.33919390 0.45705532 0.86455688 1 Ga Ga3 1 0.33919390 0.86455688 0.45705532 1 Ga Ga4 1 0.66080610 0.54294468 0.13544312 1 Ag Ag5 1 -0.00000000 0.50000000 0.50000000 1
alex<agm003739956>
Immm
Ag-Ga-Sm
0.07926
null
null
-0.000083
2,135.511344
57.665585
# generated using pymatgen data_Li2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.05399600 _cell_length_b 5.03214200 _cell_length_c 8.07514677 _cell_angle_alpha 90.00000000 _cell_angle_beta 100.90017735 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mg _chemical_formula_sum 'Li4 Mg2' _cell_volume 121.86100215 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.99950100 0.00000000 0.99900200 1 Li Li1 1 0.33329200 0.00000000 0.66658400 1 Li Li2 1 0.66666667 0.00000000 0.33320600 1 Li Li3 1 0.44442700 0.50000000 0.88885400 1 Mg Mg4 1 0.10982300 0.50000000 0.21964600 1 Mg Mg5 1 0.77968600 0.50000000 0.55937200 1
mp-1094562
Amm2
Li-Mg
0.024757
0
null
-0.000001
1,845.049362
22.322567
# generated using pymatgen data_Sm(GaAg2)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31793755 _cell_length_b 7.21970054 _cell_length_c 7.21970054 _cell_angle_alpha 82.20436452 _cell_angle_beta 68.38958859 _cell_angle_gamma 68.38958863 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm(GaAg2)4 _chemical_formula_sum 'Sm1 Ga4 Ag8' _cell_volume 239.59415075 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 0.00000000 0.00000000 0.50000000 1 Ga Ga2 1 0.50000000 0.00000000 0.50000000 1 Ga Ga3 1 1.00000000 0.50000000 1.00000000 1 Ga Ga4 1 0.50000000 0.50000000 1.00000000 1 Ag Ag5 1 0.00000000 0.65161332 0.34838668 1 Ag Ag6 1 0.00000000 0.34838668 0.65161332 1 Ag Ag7 1 0.65161332 0.34838668 0.34838668 1 Ag Ag8 1 0.34838668 0.65161332 0.65161332 1 Ag Ag9 1 0.50000000 0.21590101 0.78409899 1 Ag Ag10 1 0.50000000 0.78409899 0.21590101 1 Ag Ag11 1 0.71590101 0.78409899 0.78409899 1 Ag Ag12 1 0.28409899 0.21590101 0.21590101 1
alex<agm003672044>
I4/mmm
Ag-Ga-Sm
0.046791
null
null
-0.0003
1,705.725688
69.248581
# generated using pymatgen data_Sm3GaAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.70625543 _cell_length_b 3.70625543 _cell_length_c 10.97023264 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3GaAg2 _chemical_formula_sum 'Sm3 Ga1 Ag2' _cell_volume 150.69072818 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.00000000 0.00000000 1 Sm Sm1 1 0.00000000 0.00000000 0.65892854 1 Sm Sm2 1 0.00000000 0.00000000 0.34107146 1 Ga Ga3 1 0.50000000 0.50000000 0.50000000 1 Ag Ag4 1 0.50000000 0.50000000 0.83024658 1 Ag Ag5 1 0.50000000 0.50000000 0.16975342 1
alex<agm003434186>
P4/mmm
Ag-Ga-Sm
0.033841
null
null
0.000726
2,488.465193
63.089458
# generated using pymatgen data_Sm3(GaAg)4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65180814 _cell_length_b 4.60724229 _cell_length_c 14.39747909 _cell_angle_alpha 99.20699494 _cell_angle_beta 96.97626164 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3(GaAg)4 _chemical_formula_sum 'Sm3 Ga4 Ag4' _cell_volume 237.29648352 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.64202377 0.64351467 0.28702934 1 Sm Sm1 1 0.35797623 0.35648533 0.71297066 1 Sm Sm2 1 0.50000000 0.00000000 0.00000000 1 Ga Ga3 1 0.04766212 0.54764216 0.09528431 1 Ga Ga4 1 0.95233788 0.45235784 0.90471569 1 Ga Ga5 1 0.81016166 0.81245254 0.62490508 1 Ga Ga6 1 0.18983834 0.18754746 0.37509492 1 Ag Ag7 1 0.09524791 0.09346620 0.18693240 1 Ag Ag8 1 0.75930762 0.25892320 0.51784641 1 Ag Ag9 1 0.24069238 0.74107680 0.48215359 1 Ag Ag10 1 0.90475209 0.90653380 0.81306760 1
alex<agm003378420>
Immm
Ag-Ga-Sm
0.056371
null
null
0.000215
2,180.305702
66.880203
# generated using pymatgen data_Sm3(GaAg2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.69377206 _cell_length_b 5.88724628 _cell_length_c 8.54902274 _cell_angle_alpha 73.94010681 _cell_angle_beta 74.06653076 _cell_angle_gamma 66.50687604 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3(GaAg2)2 _chemical_formula_sum 'Sm3 Ga2 Ag4' _cell_volume 204.55346674 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.34127580 0.64462432 0.67282409 1 Sm Sm1 1 0.00000000 0.00000000 0.00000000 1 Sm Sm2 1 0.65872420 0.35537568 0.32717591 1 Ga Ga3 1 0.37586768 0.95486187 0.29340277 1 Ga Ga4 1 0.62413232 0.04513813 0.70659723 1 Ag Ag5 1 0.28690673 0.36888723 0.05729931 1 Ag Ag6 1 0.71309327 0.63111277 0.94270069 1 Ag Ag7 1 0.07603396 0.25042828 0.59750380 1 Ag Ag8 1 0.92396604 0.74957172 0.40249620 1
alex<agm003339139>
C2/m
Ag-Ga-Sm
0.030729
null
null
0.000669
2,218.551842
60.23904
# generated using pymatgen data_Sm4Ga2Ag5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.19699138 _cell_length_b 7.31078764 _cell_length_c 8.69237832 _cell_angle_alpha 95.26975731 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm4Ga2Ag5 _chemical_formula_sum 'Sm4 Ga2 Ag5' _cell_volume 265.58365916 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.50000000 0.75938874 0.58446450 1 Sm Sm1 1 0.50000000 0.20779258 0.86983415 1 Sm Sm2 1 0.50000000 0.24061126 0.41553550 1 Sm Sm3 1 0.50000000 0.79220742 0.13016585 1 Ga Ga4 1 0.00000000 0.07983608 0.63616457 1 Ga Ga5 1 0.00000000 0.92016392 0.36383543 1 Ag Ag6 1 0.00000000 0.54931041 0.33392577 1 Ag Ag7 1 -0.00000000 0.14985449 0.13548944 1 Ag Ag8 1 0.00000000 0.50000000 0.00000000 1 Ag Ag9 1 0.00000000 0.85014551 0.86451056 1 Ag Ag10 1 0.00000000 0.45068959 0.66607423 1
alex<agm003367246>
P2/m
Ag-Ga-Sm
0.081245
null
null
0
2,253.107301
47.455635
# generated using pymatgen data_SmGa5Ag7 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31061227 _cell_length_b 7.20623246 _cell_length_c 7.20623246 _cell_angle_alpha 82.07094103 _cell_angle_beta 68.37849139 _cell_angle_gamma 68.37849143 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmGa5Ag7 _chemical_formula_sum 'Sm1 Ga5 Ag7' _cell_volume 238.33493406 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.99788055 0.00211945 1 Ga Ga1 1 0.99471950 0.00159152 0.50581056 1 Ga Ga2 1 0.49787842 0.00159152 0.50581056 1 Ga Ga3 1 0.50212158 0.49418944 0.99840848 1 Ga Ga4 1 0.00528050 0.49418944 0.99840848 1 Ga Ga5 1 0.50000000 0.78717798 0.21282202 1 Ag Ag6 1 0.00000000 0.35043130 0.64956870 1 Ag Ag7 1 0.00000000 0.65711593 0.34288407 1 Ag Ag8 1 0.65181328 0.35120113 0.34517232 1 Ag Ag9 1 0.34818673 0.65482768 0.64879887 1 Ag Ag10 1 0.50000000 0.21777741 0.78222259 1 Ag Ag11 1 0.71125956 0.78475398 0.79272689 1 Ag Ag12 1 0.28874043 0.20727311 0.21524602 1
alex<agm003679624>
Imm2
Ag-Ga-Sm
0.06046
null
null
0
1,742.824191
67.014648
# generated using pymatgen data_SmGa2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.41997360 _cell_length_b 4.41997360 _cell_length_c 5.67044414 _cell_angle_alpha 67.06181033 _cell_angle_beta 67.06181033 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmGa2Ag _chemical_formula_sum 'Sm1 Ga2 Ag1' _cell_volume 85.67318731 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 0.78039108 0.78039108 0.65882676 1 Ga Ga2 1 0.21960892 0.21960892 0.34117324 1 Ag Ag3 1 0.50000000 0.50000000 0.50000000 1
alex<agm001949599>
R-3m
Ag-Ga-Sm
0.097282
null
null
-0.000066
2,218.094309
62.268921
# generated using pymatgen data_SmGa2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.65539612 _cell_length_b 5.74423670 _cell_length_c 6.63696329 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.53576883 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmGa2Ag _chemical_formula_sum 'Sm2 Ga4 Ag2' _cell_volume 162.71896795 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.10075494 0.19997284 0.25000000 1 Sm Sm1 1 0.89924506 0.80002716 0.75000000 1 Ga Ga2 1 0.38182156 0.76661919 0.05268279 1 Ga Ga3 1 0.38182156 0.76661919 0.44731721 1 Ga Ga4 1 0.61817844 0.23338081 0.94731721 1 Ga Ga5 1 0.61817844 0.23338081 0.55268279 1 Ag Ag6 1 0.80149485 0.60522187 0.25000000 1 Ag Ag7 1 0.19850515 0.39477813 0.75000000 1
alex<agm002338053>
Cmcm
Ag-Ga-Sm
0.041372
null
null
-0.000089
2,218.094309
66.223663
# generated using pymatgen data_SmGa2Ag3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.32787446 _cell_length_b 7.72406658 _cell_length_c 8.57778313 _cell_angle_alpha 116.57871392 _cell_angle_beta 104.61201706 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmGa2Ag3 _chemical_formula_sum 'Sm2 Ga4 Ag6' _cell_volume 246.02778471 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.14264790 0.21951412 0.28529580 1 Sm Sm1 1 0.85735210 0.78048588 0.71470420 1 Ga Ga2 1 0.51612912 0.86115880 0.03225823 1 Ga Ga3 1 0.48387088 0.13884120 0.96774177 1 Ga Ga4 1 0.20782314 0.68531142 0.41564629 1 Ga Ga5 1 0.79217686 0.31468858 0.58435371 1 Ag Ag6 1 0.68636532 0.92556857 0.37273064 1 Ag Ag7 1 0.04504683 0.70616895 0.09009367 1 Ag Ag8 1 0.39508053 0.49191511 0.79016105 1 Ag Ag9 1 0.60491947 0.50808489 0.20983895 1 Ag Ag10 1 0.95495317 0.29383105 0.90990633 1 Ag Ag11 1 0.31363468 0.07443143 0.62726936 1
alex<agm003426041>
C2/m
Ag-Ga-Sm
0.070697
null
null
0
1,930.370685
59.584034
# generated using pymatgen data_Li2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.29340411 _cell_length_b 5.29340411 _cell_length_c 5.74982419 _cell_angle_alpha 94.49198187 _cell_angle_beta 113.60323336 _cell_angle_gamma 118.68555515 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mg _chemical_formula_sum 'Li4 Mg2' _cell_volume 121.95971235 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.49713400 0.58019900 0.24751400 1 Li Li1 1 0.83268500 0.24962000 0.25248600 1 Li Li2 1 0.16731500 0.75038000 0.74751400 1 Li Li3 1 0.50286600 0.41980100 0.75248600 1 Mg Mg4 1 0.83693200 0.08693200 0.75000000 1 Mg Mg5 1 0.16306800 0.91306800 0.25000000 1
mp-1094607
C2/c
Li-Mg
0.012266
0
null
-0.000003
1,845.049362
22.655329
# generated using pymatgen data_Sm2Ga2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53520331 _cell_length_b 5.88515763 _cell_length_c 9.85270035 _cell_angle_alpha 83.14108991 _cell_angle_beta 76.69408101 _cell_angle_gamma 67.33710214 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2Ga2Ag _chemical_formula_sum 'Sm4 Ga4 Ag2' _cell_volume 236.01485888 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.98645930 0.69953402 0.32754739 1 Sm Sm1 1 0.18515672 0.73675157 0.89293499 1 Sm Sm2 1 0.01354070 0.30046598 0.67245261 1 Sm Sm3 1 0.81484328 0.26324843 0.10706501 1 Ga Ga4 1 0.36676692 0.70191675 0.56454941 1 Ga Ga5 1 0.47396664 0.16045337 0.89161336 1 Ga Ga6 1 0.63323308 0.29808325 0.43545059 1 Ga Ga7 1 0.52603336 0.83954663 0.10838664 1 Ag Ag8 1 0.72552349 0.89840204 0.65055098 1 Ag Ag9 1 0.27447651 0.10159796 0.34944902 1
alex<agm003391434>
C2/m
Ag-Ga-Sm
0.025729
null
null
-0.000001
2,460.056106
56.056885
# generated using pymatgen data_Sm8Ga2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.13716580 _cell_length_b 6.86558020 _cell_length_c 9.59976982 _cell_angle_alpha 100.15388010 _cell_angle_beta 105.51954833 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm8Ga2Ag _chemical_formula_sum 'Sm8 Ga2 Ag1' _cell_volume 320.72842372 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.40842055 0.54204484 0.81684109 1 Sm Sm1 1 0.66109680 0.96304487 0.32219359 1 Sm Sm2 1 0.79822110 0.69014959 0.59644220 1 Sm Sm3 1 0.97182677 0.24036803 0.94365354 1 Sm Sm4 1 0.20177890 0.30985041 0.40355780 1 Sm Sm5 1 0.33890320 0.03695513 0.67780641 1 Sm Sm6 1 0.59157945 0.45795516 0.18315891 1 Sm Sm7 1 0.02817323 0.75963197 0.05634646 1 Ga Ga8 1 0.80531161 0.25214672 0.61062321 1 Ga Ga9 1 0.19468839 0.74785328 0.38937679 1 Ag Ag10 1 0.50000000 0.00000000 1.00000000 1
alex<agm003529951>
C2/m
Ag-Ga-Sm
0.099005
null
null
0.000354
2,858.162638
46.29953
# generated using pymatgen data_Sm(Ga2Ag3)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.25635458 _cell_length_b 7.50386316 _cell_length_c 7.50386316 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm(Ga2Ag3)2 _chemical_formula_sum 'Sm1 Ga4 Ag6' _cell_volume 207.55741022 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 0.50000000 0.60940497 0.80470248 1 Ga Ga2 1 0.50000000 0.19529751 0.39059502 1 Ga Ga3 1 0.50000000 0.19529751 0.80470248 1 Ga Ga4 1 0.00000000 0.66666667 0.33333333 1 Ag Ag5 1 0.00000000 0.07366061 0.53683031 1 Ag Ag6 1 0.50000000 0.79770340 0.59540680 1 Ag Ag7 1 0.00000000 0.46316970 0.53683031 1 Ag Ag8 1 0.00000000 0.46316970 0.92633940 1 Ag Ag9 1 0.50000000 0.79770340 0.20229661 1 Ag Ag10 1 0.50000000 0.40459321 0.20229661 1
alex<agm003663192>
P-6m2
Ag-Ga-Sm
0.054379
null
null
-0
1,766.996971
59.748093
# generated using pymatgen data_Sm2GaAg6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.95412093 _cell_length_b 6.11892966 _cell_length_c 6.11892966 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2GaAg6 _chemical_formula_sum 'Sm2 Ga1 Ag6' _cell_volume 193.06306844 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.15308407 0.66666667 0.33333333 1 Sm Sm1 1 0.84691593 0.33333333 0.66666667 1 Ga Ga2 1 0.00000000 0.00000000 0.00000000 1 Ag Ag3 1 0.67768506 0.35608216 0.17804108 1 Ag Ag4 1 0.67768506 0.82195892 0.17804108 1 Ag Ag5 1 0.67768506 0.82195892 0.64391784 1 Ag Ag6 1 0.32231494 0.64391784 0.82195892 1 Ag Ag7 1 0.32231494 0.17804108 0.82195892 1 Ag Ag8 1 0.32231494 0.17804108 0.35608216 1
alex<agm003506554>
P-3m1
Ag-Ga-Sm
0.09378
null
null
0.000001
1,936.613098
49.943935
# generated using pymatgen data_Sm3Ga2Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.63569343 _cell_length_b 3.63569343 _cell_length_c 11.24193987 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Ga2Ag _chemical_formula_sum 'Sm3 Ga2 Ag1' _cell_volume 148.59895962 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.00000000 0.00000000 1 Sm Sm1 1 0.00000000 0.00000000 0.67559958 1 Sm Sm2 1 0.00000000 0.00000000 0.32440042 1 Ga Ga3 1 0.50000000 0.50000000 0.83154498 1 Ga Ga4 1 0.50000000 0.50000000 0.16845502 1 Ag Ag5 1 0.50000000 0.50000000 0.50000000 1
alex<agm003418577>
P4/mmm
Ag-Ga-Sm
0.059522
null
null
0.000161
2,597.832113
57.266304
# generated using pymatgen data_Sm3Ga7Ag2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.61170511 _cell_length_b 5.61170511 _cell_length_c 9.40871464 _cell_angle_alpha 72.64936786 _cell_angle_beta 72.64936786 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Ga7Ag2 _chemical_formula_sum 'Sm3 Ga7 Ag2' _cell_volume 240.90305317 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.00000000 0.00000000 1 Sm Sm1 1 0.14146758 0.14146758 0.57559726 1 Sm Sm2 1 0.85853242 0.85853242 0.42440274 1 Ga Ga3 1 0.40972927 0.92750250 0.25303895 1 Ga Ga4 1 0.40972927 0.40972927 0.25303895 1 Ga Ga5 1 0.50000000 0.50000000 0.50000000 1 Ga Ga6 1 0.59027073 0.07249750 0.74696105 1 Ga Ga7 1 0.92750250 0.40972927 0.25303895 1 Ga Ga8 1 0.59027073 0.59027073 0.74696105 1 Ga Ga9 1 0.07249750 0.59027073 0.74696105 1 Ag Ag10 1 0.66270954 0.66270954 0.01187139 1 Ag Ag11 1 0.33729046 0.33729046 0.98812861 1
alex<agm002276618>
R-3m
Ag-Ga-Sm
0.077746
null
null
0.000002
2,275.302002
67.817238
# generated using pymatgen data_Sm3Ga9Ag2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.30180902 _cell_length_b 8.42808606 _cell_length_c 8.42808606 _cell_angle_alpha 73.78165740 _cell_angle_beta 75.21416319 _cell_angle_gamma 75.21416319 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Ga9Ag2 _chemical_formula_sum 'Sm3 Ga9 Ag2' _cell_volume 278.06982617 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.00000000 0.00000000 1 Sm Sm1 1 0.68255038 0.31744962 0.31744962 1 Sm Sm2 1 0.31744962 0.68255038 0.68255038 1 Ga Ga3 1 -0.00000000 0.50000000 0.50000000 1 Ga Ga4 1 0.66643660 0.95927177 0.70785502 1 Ga Ga5 1 0.33356340 0.04072823 0.29214498 1 Ga Ga6 1 0.66643660 0.70785502 0.95927177 1 Ga Ga7 1 0.33356340 0.29214498 0.04072823 1 Ga Ga8 1 0.86005879 0.86739204 0.41249038 1 Ga Ga9 1 0.13994121 0.13260796 0.58750962 1 Ga Ga10 1 0.86005879 0.41249038 0.86739204 1 Ga Ga11 1 0.13994121 0.58750962 0.13260796 1 Ag Ag12 1 0.50000000 0.27965315 0.72034685 1 Ag Ag13 1 0.50000000 0.72034685 0.27965315 1
alex<agm003359107>
Immm
Ag-Ga-Sm
0.026345
null
null
0
2,234.868241
60.838966
# generated using pymatgen data_Sm6GaAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.75815715 _cell_length_b 8.75815715 _cell_length_c 8.75815715 _cell_angle_alpha 108.60026067 _cell_angle_beta 110.05585181 _cell_angle_gamma 109.76118162 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm6GaAg2 _chemical_formula_sum 'Sm12 Ga2 Ag4' _cell_volume 517.05680366 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.82464081 0.08660725 0.26196644 1 Sm Sm1 1 0.17535919 0.91339275 0.73803356 1 Sm Sm2 1 0.82464081 0.56267437 0.73803357 1 Sm Sm3 1 0.17535919 0.43732563 0.26196643 1 Sm Sm4 1 0.05364556 0.80313523 0.25051033 1 Sm Sm5 1 0.94635444 0.19686477 0.74948967 1 Sm Sm6 1 0.44737510 0.19686477 0.25051033 1 Sm Sm7 1 0.55262490 0.80313523 0.74948967 1 Sm Sm8 1 0.32877085 0.27161193 0.60038278 1 Sm Sm9 1 0.67122915 0.72838807 0.39961722 1 Sm Sm10 1 0.32877085 0.72838807 0.05715892 1 Sm Sm11 1 0.67122915 0.27161193 0.94284108 1 Ga Ga12 1 0.50000000 1.00000000 0.50000000 1 Ga Ga13 1 0.00000000 0.00000000 0.00000000 1 Ag Ag14 1 0.13613002 0.50000000 0.63613002 1 Ag Ag15 1 0.86386998 0.50000000 0.36386998 1 Ag Ag16 1 0.64158067 0.64158067 1.00000000 1 Ag Ag17 1 0.35841933 0.35841933 1.00000000 1
alex<agm003502490>
Immm
Ag-Ga-Sm
0.09726
null
null
0.000004
2,720.737519
50.837078
# generated using pymatgen data_SmGaAg3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.89798139 _cell_length_b 6.41835461 _cell_length_c 6.61729321 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmGaAg3 _chemical_formula_sum 'Sm2 Ga2 Ag6' _cell_volume 208.02772379 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 -0.00000000 0.25259904 0.50000000 1 Sm Sm1 1 0.50000000 0.74740096 0.00000000 1 Ga Ga2 1 0.50000000 0.94694264 0.50000000 1 Ga Ga3 1 -0.00000000 0.05305736 0.00000000 1 Ag Ag4 1 0.00000000 0.44571795 0.00000000 1 Ag Ag5 1 0.00000000 0.76629593 0.70414877 1 Ag Ag6 1 0.50000000 0.23370407 0.20414877 1 Ag Ag7 1 0.50000000 0.55428205 0.50000000 1 Ag Ag8 1 0.50000000 0.23370407 0.79585123 1 Ag Ag9 1 0.00000000 0.76629593 0.29585123 1
alex<agm003720823>
Pmmn
Ag-Ga-Sm
0.078095
null
null
-0
1,934.265449
54.181328
# generated using pymatgen data_Li2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.09343256 _cell_length_b 3.09343256 _cell_length_c 15.03508600 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mg _chemical_formula_sum 'Li4 Mg2' _cell_volume 124.59994570 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.66666667 0.33333333 0.08187400 1 Li Li1 1 0.66666667 0.33333333 0.41812600 1 Li Li2 1 0.33333333 0.66666667 0.58187400 1 Li Li3 1 0.33333333 0.66666667 0.91812600 1 Mg Mg4 1 0.33333333 0.66666667 0.25000000 1 Mg Mg5 1 0.66666667 0.33333333 0.75000000 1
mp-977207
P6_3/mmc
Li-Mg
0.023194
0
20.581342
0.000046
1,845.049362
20.912992
# generated using pymatgen data_SmGa6Ag _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.54369554 _cell_length_b 4.54369554 _cell_length_c 7.74992553 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural SmGa6Ag _chemical_formula_sum 'Sm1 Ga6 Ag1' _cell_volume 159.99852355 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 0.50000000 0.00000000 0.67953280 1 Ga Ga2 1 0.00000000 0.50000000 0.67953280 1 Ga Ga3 1 0.50000000 0.50000000 0.15624717 1 Ga Ga4 1 0.50000000 0.50000000 0.84375283 1 Ga Ga5 1 0.00000000 0.50000000 0.32046720 1 Ga Ga6 1 0.50000000 0.00000000 0.32046720 1 Ag Ag7 1 0.00000000 0.00000000 0.50000000 1
alex<agm002373002>
P4/mmm
Ag-Ga-Sm
0.037645
null
null
-0
2,086.970469
57.623859
# generated using pymatgen data_Sm3(Ga2Ag)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.61081302 _cell_length_b 5.92646711 _cell_length_c 8.55232506 _cell_angle_alpha 71.07936206 _cell_angle_beta 74.36162346 _cell_angle_gamma 67.10759583 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3(Ga2Ag)2 _chemical_formula_sum 'Sm3 Ga4 Ag2' _cell_volume 200.88270592 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.32951529 0.68108943 0.65987998 1 Sm Sm1 1 0.00000000 0.00000000 0.00000000 1 Sm Sm2 1 0.67048471 0.31891057 0.34012002 1 Ga Ga3 1 0.25847136 0.40761083 0.07544644 1 Ga Ga4 1 0.74152864 0.59238917 0.92455356 1 Ga Ga5 1 0.03233557 0.30479967 0.63052918 1 Ga Ga6 1 0.96766443 0.69520033 0.36947082 1 Ag Ag7 1 0.39673567 0.93536135 0.27116730 1 Ag Ag8 1 0.60326433 0.06463865 0.72883270 1
alex<agm003339140>
C2/m
Ag-Ga-Sm
0.016039
null
null
0.000699
2,358.310194
63.076088
# generated using pymatgen data_Sm2(GaAg2)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.44224705 _cell_length_b 7.76366389 _cell_length_c 7.76366389 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2(GaAg2)3 _chemical_formula_sum 'Sm2 Ga3 Ag6' _cell_volume 231.88186784 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.33333333 0.66666667 1 Sm Sm1 1 0.00000000 0.66666667 0.33333333 1 Ga Ga2 1 0.50000000 0.60788962 0.60788962 1 Ga Ga3 1 0.50000000 0.39211038 0.00000000 1 Ga Ga4 1 0.50000000 0.00000000 0.39211038 1 Ag Ag5 1 0.50000000 0.27855542 0.27855542 1 Ag Ag6 1 0.50000000 0.00000000 0.72144458 1 Ag Ag7 1 -0.00000000 0.79096748 0.79096748 1 Ag Ag8 1 0.00000000 0.20903252 0.00000000 1 Ag Ag9 1 0.50000000 0.72144458 1.00000000 1 Ag Ag10 1 0.00000000 0.00000000 0.20903252 1
alex<agm003349745>
P-62m
Ag-Ga-Sm
0.085771
null
null
-0.000103
1,932.200724
68.408348
# generated using pymatgen data_Sm3Ga8Ag3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.37007417 _cell_length_b 8.45090264 _cell_length_c 8.45090264 _cell_angle_alpha 69.18683413 _cell_angle_beta 75.01556384 _cell_angle_gamma 75.01556384 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Ga8Ag3 _chemical_formula_sum 'Sm3 Ga8 Ag3' _cell_volume 276.97102717 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.50000000 0.50000000 0.50000000 1 Sm Sm1 1 0.80137739 0.19862261 0.19862261 1 Sm Sm2 1 0.19862261 0.80137739 0.80137739 1 Ga Ga3 1 0.64355499 0.07546498 0.63742505 1 Ga Ga4 1 0.35644501 0.92453502 0.36257495 1 Ga Ga5 1 0.64355499 0.63742505 0.07546498 1 Ga Ga6 1 0.35644501 0.36257495 0.92453502 1 Ga Ga7 1 0.84064092 0.79104436 0.52767380 1 Ga Ga8 1 0.15935908 0.20895564 0.47232620 1 Ga Ga9 1 0.84064092 0.52767380 0.79104436 1 Ga Ga10 1 0.15935908 0.47232620 0.20895564 1 Ag Ag11 1 0.50000000 0.00000000 -0.00000000 1 Ag Ag12 1 0.00000000 0.80170182 0.19829818 1 Ag Ag13 1 0.00000000 0.19829818 0.80170182 1
alex<agm003376322>
Immm
Ag-Ga-Sm
0.006881
null
null
-0.000133
2,184.804985
61.967583
# generated using pymatgen data_Sm5GaAg4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.74316301 _cell_length_b 3.74316301 _cell_length_c 18.12883950 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm5GaAg4 _chemical_formula_sum 'Sm5 Ga1 Ag4' _cell_volume 254.00805268 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.50000000 0.50000000 0.09564133 1 Sm Sm1 1 0.50000000 0.50000000 0.29826329 1 Sm Sm2 1 0.50000000 0.50000000 0.50000000 1 Sm Sm3 1 0.50000000 0.50000000 0.70173671 1 Sm Sm4 1 0.50000000 0.50000000 0.90435867 1 Ga Ga5 1 0.00000000 0.00000000 0.00000000 1 Ag Ag6 1 0.00000000 0.00000000 0.19792376 1 Ag Ag7 1 0.00000000 0.00000000 0.39941923 1 Ag Ag8 1 0.00000000 0.00000000 0.60058077 1 Ag Ag9 1 0.00000000 0.00000000 0.80207624 1
alex<agm003643267>
P4/mmm
Ag-Ga-Sm
0.032302
null
null
0.001046
2,447.825938
62.411343
# generated using pymatgen data_Sm3Ga2Ag3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.53569971 _cell_length_b 5.82192602 _cell_length_c 15.53840237 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 112.92563192 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm3Ga2Ag3 _chemical_formula_sum 'Sm6 Ga4 Ag6' _cell_volume 377.90467764 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.90786918 0.81573836 0.39736944 1 Sm Sm1 1 0.09213082 0.18426164 0.89736944 1 Sm Sm2 1 0.90786918 0.81573836 0.10263056 1 Sm Sm3 1 0.09213082 0.18426164 0.60263056 1 Sm Sm4 1 0.61983944 0.23967889 0.25000000 1 Sm Sm5 1 0.38016056 0.76032111 0.75000000 1 Ga Ga6 1 0.79875567 0.59751135 0.89443069 1 Ga Ga7 1 0.20124433 0.40248865 0.39443069 1 Ga Ga8 1 0.79875567 0.59751135 0.60556931 1 Ga Ga9 1 0.20124433 0.40248865 0.10556931 1 Ag Ag10 1 0.61895781 0.23791561 0.45983239 1 Ag Ag11 1 0.38104219 0.76208439 0.95983239 1 Ag Ag12 1 0.61895781 0.23791561 0.04016761 1 Ag Ag13 1 0.38104219 0.76208439 0.54016761 1 Ag Ag14 1 0.33447403 0.66894806 0.25000000 1 Ag Ag15 1 0.66552597 0.33105194 0.75000000 1
alex<agm003330982>
Cmcm
Ag-Ga-Sm
0.045267
null
null
0.000131
2,315.141666
59.604042
# generated using pymatgen data_Sm(GaAg2)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.24696818 _cell_length_b 4.27182399 _cell_length_c 7.88173648 _cell_angle_alpha 105.72348990 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm(GaAg2)2 _chemical_formula_sum 'Sm1 Ga2 Ag4' _cell_volume 137.64214413 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.00000000 0.00000000 0.00000000 1 Ga Ga1 1 0.50000000 0.57985288 0.15970576 1 Ga Ga2 1 0.50000000 0.42014712 0.84029424 1 Ag Ag3 1 0.50000000 0.81737645 0.63475289 1 Ag Ag4 1 0.00000000 0.68252873 0.36505745 1 Ag Ag5 1 0.50000000 0.18262355 0.36524711 1 Ag Ag6 1 -0.00000000 0.31747127 0.63494255 1
alex<agm003461755>
Cmmm
Ag-Ga-Sm
0.035491
null
null
-0.000093
1,851.053046
60.952007
# generated using pymatgen data_Li2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.18984600 _cell_length_b 5.00927400 _cell_length_c 7.77939774 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.83060118 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mg _chemical_formula_sum 'Li4 Mg2' _cell_volume 121.66504430 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.60075700 0.25000000 0.20151400 1 Li Li1 1 0.26315600 0.25000000 0.52631200 1 Li Li2 1 0.39924300 0.75000000 0.79848600 1 Li Li3 1 0.73684400 0.75000000 0.47368800 1 Mg Mg4 1 0.93208200 0.25000000 0.86416400 1 Mg Mg5 1 0.06791800 0.75000000 0.13583600 1
mp-976982
Cmcm
Li-Mg
0.016492
0
21.025331
-0.000047
1,845.049362
24.63233
# generated using pymatgen data_Sm2GaAg2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.46863949 _cell_length_b 5.83088817 _cell_length_c 10.36126301 _cell_angle_alpha 82.07851249 _cell_angle_beta 77.54682640 _cell_angle_gamma 67.46877549 _symmetry_Int_Tables_number 1 _chemical_formula_structural Sm2GaAg2 _chemical_formula_sum 'Sm4 Ga2 Ag4' _cell_volume 243.04437837 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Sm Sm0 1 0.98233677 0.69322636 0.34210010 1 Sm Sm1 1 0.19290099 0.72782300 0.88637501 1 Sm Sm2 1 0.01766323 0.30677364 0.65789990 1 Sm Sm3 1 0.80709901 0.27217700 0.11362499 1 Ga Ga4 1 0.72303974 0.88745719 0.66646333 1 Ga Ga5 1 0.27696026 0.11254281 0.33353667 1 Ag Ag6 1 0.35214986 0.73648694 0.55921335 1 Ag Ag7 1 0.47864503 0.15843422 0.88427572 1 Ag Ag8 1 0.64785014 0.26351306 0.44078665 1 Ag Ag9 1 0.52135497 0.84156578 0.11572428 1
alex<agm003403218>
C2/m
Ag-Ga-Sm
0.069745
null
null
0.000307
2,331.601315
53.708294
# generated using pymatgen data_TbTmIn2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.71729807 _cell_length_b 5.31468944 _cell_length_c 5.31468944 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbTmIn2 _chemical_formula_sum 'Tb1 Tm1 In2' _cell_volume 104.99851819 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.50000000 0.50000000 0.50000000 1 Tm Tm1 1 0.50000000 0.00000000 -0.00000000 1 In In2 1 0.00000000 0.50000000 0.00000000 1 In In3 1 0.00000000 0.00000000 0.50000000 1
alex<agm001209296>
P4/mmm
In-Tb-Tm
0.004724
null
null
-0.000006
2,646.902939
51.002308
# generated using pymatgen data_Tb6Tm8In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 8.40860635 _cell_length_b 8.40860635 _cell_length_c 8.40860635 _cell_angle_alpha 64.17495897 _cell_angle_beta 64.17495897 _cell_angle_gamma 64.17495897 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb6Tm8In _chemical_formula_sum 'Tb6 Tm8 In1' _cell_volume 458.99291876 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.77153904 0.89392935 0.45179423 1 Tb Tb1 1 0.54820577 0.22846096 0.10607065 1 Tb Tb2 1 0.10607065 0.54820577 0.22846096 1 Tb Tb3 1 0.89392935 0.45179423 0.77153904 1 Tb Tb4 1 0.45179423 0.77153904 0.89392935 1 Tb Tb5 1 0.22846096 0.10607065 0.54820577 1 Tm Tm6 1 0.89031634 0.28335871 0.25415191 1 Tm Tm7 1 0.74584809 0.10968366 0.71664129 1 Tm Tm8 1 0.71664129 0.74584809 0.10968366 1 Tm Tm9 1 0.57604573 0.57604573 0.57604573 1 Tm Tm10 1 0.42395427 0.42395427 0.42395427 1 Tm Tm11 1 0.28335871 0.25415191 0.89031634 1 Tm Tm12 1 0.25415191 0.89031634 0.28335871 1 Tm Tm13 1 0.10968366 0.71664129 0.74584809 1 In In14 1 0.00000000 0.00000000 0.00000000 1
alex<agm003698874>
R-3
In-Tb-Tm
0.097603
null
null
-0.000006
3,047.806631
40.585777
# generated using pymatgen data_TbTm5In2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.53971160 _cell_length_b 8.34812642 _cell_length_c 8.34812642 _cell_angle_alpha 76.63625557 _cell_angle_beta 77.76004462 _cell_angle_gamma 77.76004462 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbTm5In2 _chemical_formula_sum 'Tb1 Tm5 In2' _cell_volume 231.07874896 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.00000000 0.00000000 0.00000000 1 Tm Tm1 1 0.00000000 0.50000000 0.50000000 1 Tm Tm2 1 0.63334943 0.59462744 0.13867369 1 Tm Tm3 1 0.36665057 0.40537256 0.86132631 1 Tm Tm4 1 0.36665057 0.86132631 0.40537256 1 Tm Tm5 1 0.63334943 0.13867369 0.59462744 1 In In6 1 0.74138672 0.75861328 0.75861328 1 In In7 1 0.25861328 0.24138672 0.24138672 1
alex<agm003467100>
Immm
In-Tb-Tm
0.091774
null
null
0.000006
2,895.172751
43.562767
# generated using pymatgen data_Tb2TmIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.56817618 _cell_length_b 3.56817618 _cell_length_c 9.27964134 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2TmIn _chemical_formula_sum 'Tb2 Tm1 In1' _cell_volume 118.14729160 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.00000000 0.00000000 0.76980217 1 Tb Tb1 1 0.00000000 0.00000000 0.23019783 1 Tm Tm2 1 0.50000000 0.50000000 0.50000000 1 In In3 1 0.50000000 0.50000000 -0.00000000 1
alex<agm001154590>
P4/mmm
In-Tb-Tm
0.048048
null
null
0.000829
2,890.061188
45.02422
# generated using pymatgen data_Tb3Tm3In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.51551184 _cell_length_b 9.31140144 _cell_length_c 9.31140144 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Tm3In _chemical_formula_sum 'Tb6 Tm6 In2' _cell_volume 414.13940410 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.75000000 0.06618332 0.24553575 1 Tb Tb1 1 0.75000000 0.17935243 0.93381667 1 Tb Tb2 1 0.75000000 0.75446424 0.82064756 1 Tb Tb3 1 0.25000000 0.93381668 0.75446425 1 Tb Tb4 1 0.25000000 0.82064757 0.06618333 1 Tb Tb5 1 0.25000000 0.24553576 0.17935244 1 Tm Tm6 1 0.25000000 0.10501966 0.48341678 1 Tm Tm7 1 0.25000000 0.37839712 0.89498034 1 Tm Tm8 1 0.25000000 0.51658322 0.62160288 1 Tm Tm9 1 0.75000000 0.89498034 0.51658322 1 Tm Tm10 1 0.75000000 0.62160288 0.10501966 1 Tm Tm11 1 0.75000000 0.48341678 0.37839712 1 In In12 1 0.75000000 0.33333333 0.66666667 1 In In13 1 0.25000000 0.66666667 0.33333333 1
alex<agm003542064>
P6_3/m
In-Tb-Tm
0.059636
null
null
-0.000002
2,985.014401
57.219109
# generated using pymatgen data_Tb3Tm3In2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.82362602 _cell_length_b 4.82680656 _cell_length_c 9.65546871 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb3Tm3In2 _chemical_formula_sum 'Tb3 Tm3 In2' _cell_volume 224.80547515 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.50000000 0.00000000 0.50000000 1 Tb Tb1 1 0.00000000 0.50000000 0.00000000 1 Tb Tb2 1 0.00000000 0.50000000 0.50000000 1 Tm Tm3 1 0.50000000 0.50000000 0.75112574 1 Tm Tm4 1 0.50000000 0.50000000 0.24887426 1 Tm Tm5 1 0.50000000 0.00000000 0.00000000 1 In In6 1 0.00000000 0.00000000 0.75158934 1 In In7 1 0.00000000 0.00000000 0.24841066 1
alex<agm003329849>
Pmmm
In-Tb-Tm
0.006266
null
null
0.005309
2,891.793156
44.508316
# generated using pymatgen data_Li2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.11180000 _cell_length_b 5.03672900 _cell_length_c 8.05849679 _cell_angle_alpha 90.00000000 _cell_angle_beta 101.13233387 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mg _chemical_formula_sum 'Li4 Mg2' _cell_volume 123.92664555 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.44506300 0.75000000 0.89012600 1 Li Li1 1 0.10868100 0.75000000 0.21736200 1 Li Li2 1 0.89131900 0.25000000 0.78263800 1 Li Li3 1 0.55493700 0.25000000 0.10987400 1 Mg Mg4 1 0.77976200 0.75000000 0.55952400 1 Mg Mg5 1 0.22023800 0.25000000 0.44047600 1
mp-977218
Cmcm
Li-Mg
0.033543
0
20.530371
0.000017
1,845.049362
21.218294
# generated using pymatgen data_Tb6TmIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.90680155 _cell_length_b 4.90680155 _cell_length_c 10.01452999 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb6TmIn _chemical_formula_sum 'Tb6 Tm1 In1' _cell_volume 241.11684874 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.50000000 0.50000000 -0.00000000 1 Tb Tb1 1 0.50000000 0.50000000 0.50000000 1 Tb Tb2 1 0.50000000 0.00000000 0.25498858 1 Tb Tb3 1 0.50000000 0.00000000 0.74501142 1 Tb Tb4 1 0.00000000 0.50000000 0.25498858 1 Tb Tb5 1 0.00000000 0.50000000 0.74501142 1 Tm Tm6 1 0.00000000 0.00000000 0.00000000 1 In In7 1 0.00000000 0.00000000 0.50000000 1
alex<agm003773724>
P4/mmm
In-Tb-Tm
0.015976
null
null
0.000016
2,997.923414
55.831772
# generated using pymatgen data_TbTm2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.55096812 _cell_length_b 3.55096812 _cell_length_c 9.12407917 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbTm2In _chemical_formula_sum 'Tb1 Tm2 In1' _cell_volume 115.04893204 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.50000000 0.50000000 0.50000000 1 Tm Tm1 1 0.00000000 0.00000000 0.77207832 1 Tm Tm2 1 0.00000000 0.00000000 0.22792168 1 In In3 1 0.50000000 0.50000000 0.00000000 1
alex<agm001154589>
P4/mmm
In-Tb-Tm
0.029642
null
null
0.000001
2,893.49678
35.970192
# generated using pymatgen data_TbTm2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 4.79405326 _cell_length_b 4.81344980 _cell_length_c 4.81344980 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbTm2In _chemical_formula_sum 'Tb1 Tm2 In1' _cell_volume 111.07485329 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.50000000 0.00000000 -0.00000000 1 Tm Tm1 1 0.00000000 0.50000000 0.00000000 1 Tm Tm2 1 0.00000000 0.00000000 0.50000000 1 In In3 1 0.50000000 0.50000000 0.50000000 1
alex<agm001209951>
P4/mmm
In-Tb-Tm
0.006255
null
null
0.00525
2,893.49678
46.070946
# generated using pymatgen data_TbTmIn6 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.11758878 _cell_length_b 6.73270926 _cell_length_c 6.73270926 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbTmIn6 _chemical_formula_sum 'Tb1 Tm1 In6' _cell_volume 200.89805796 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.50000000 0.33333333 0.66666667 1 Tm Tm1 1 0.00000000 0.00000000 0.00000000 1 In In2 1 0.00000000 0.50417957 0.00835914 1 In In3 1 -0.00000000 0.50417957 0.49582043 1 In In4 1 0.00000000 0.99164086 0.49582043 1 In In5 1 0.50000000 0.83193641 0.66387282 1 In In6 1 0.50000000 0.83193641 0.16806358 1 In In7 1 0.50000000 0.33612717 0.16806358 1
alex<agm003772508>
P-6m2
In-Tb-Tm
0.077588
null
null
-0.000059
2,354.698094
33.912498
# generated using pymatgen data_TbTm5In4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51259338 _cell_length_b 3.51259338 _cell_length_c 21.65580637 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbTm5In4 _chemical_formula_sum 'Tb1 Tm5 In4' _cell_volume 267.19610109 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.00000000 0.00000000 0.00000000 1 Tm Tm1 1 0.50000000 0.50000000 0.11381975 1 Tm Tm2 1 0.50000000 0.50000000 0.30676622 1 Tm Tm3 1 0.50000000 0.50000000 0.50000000 1 Tm Tm4 1 0.50000000 0.50000000 0.69323378 1 Tm Tm5 1 0.50000000 0.50000000 0.88618025 1 In In6 1 0.00000000 0.00000000 0.21116919 1 In In7 1 0.00000000 0.00000000 0.40368446 1 In In8 1 0.00000000 0.00000000 0.59631554 1 In In9 1 0.00000000 0.00000000 0.78883081 1
alex<agm003650374>
P4/mmm
In-Tb-Tm
0.038785
null
null
0.000174
2,754.651642
42.199295
# generated using pymatgen data_TbTm4In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.31757454 _cell_length_b 6.56990144 _cell_length_c 10.94511063 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 113.87183452 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbTm4In _chemical_formula_sum 'Tb2 Tm8 In2' _cell_volume 349.66646871 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.32119136 0.64238272 0.27226166 1 Tb Tb1 1 0.67880864 0.35761728 0.77226166 1 Tm Tm2 1 0.99821622 0.99643245 0.80034693 1 Tm Tm3 1 0.00178378 0.00356755 0.30034693 1 Tm Tm4 1 0.52074213 0.04148425 0.05615642 1 Tm Tm5 1 0.47925787 0.95851575 0.55615642 1 Tm Tm6 1 0.17798716 0.35597433 0.55379794 1 Tm Tm7 1 0.82201284 0.64402567 0.05379794 1 Tm Tm8 1 0.32461718 0.64923435 0.83527036 1 Tm Tm9 1 0.67538282 0.35076565 0.33527036 1 In In10 1 0.15169992 0.30339983 0.04876666 1 In In11 1 0.84830008 0.69660017 0.54876666 1
alex<agm003737612>
Cmc2_1
In-Tb-Tm
0.052485
null
null
0.000593
2,966.980058
36.121811
# generated using pymatgen data_TbTm4In5 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.65483166 _cell_length_b 3.65483166 _cell_length_c 19.31335784 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbTm4In5 _chemical_formula_sum 'Tb1 Tm4 In5' _cell_volume 257.98386442 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.00000000 0.00000000 0.00000000 1 Tm Tm1 1 0.00000000 0.00000000 0.20344308 1 Tm Tm2 1 0.00000000 0.00000000 0.40094497 1 Tm Tm3 1 0.00000000 0.00000000 0.59905503 1 Tm Tm4 1 0.00000000 0.00000000 0.79655692 1 In In5 1 0.50000000 0.50000000 0.10371852 1 In In6 1 0.50000000 0.50000000 0.30222443 1 In In7 1 0.50000000 0.50000000 0.50000000 1 In In8 1 0.50000000 0.50000000 0.69777557 1 In In9 1 0.50000000 0.50000000 0.89628148 1
alex<agm003650376>
P4/mmm
In-Tb-Tm
0.000438
null
null
0.000002
2,651.731664
40.881893
# generated using pymatgen data_Tb2Tm3In2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.34343893 _cell_length_b 5.34343893 _cell_length_c 8.55577250 _cell_angle_alpha 71.80385627 _cell_angle_beta 71.80385627 _cell_angle_gamma 60.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2Tm3In2 _chemical_formula_sum 'Tb2 Tm3 In2' _cell_volume 197.32713264 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.57563590 0.57563590 0.27309231 1 Tb Tb1 1 0.42436410 0.42436410 0.72690769 1 Tm Tm2 1 0.00000000 0.00000000 0.00000000 1 Tm Tm3 1 0.84767007 0.84767007 0.45698978 1 Tm Tm4 1 0.15232993 0.15232993 0.54301022 1 In In5 1 0.71669842 0.71669842 0.84990473 1 In In6 1 0.28330158 0.28330158 0.15009527 1
alex<agm003303859>
R-3m
In-Tb-Tm
0.02969
null
null
0.000142
2,860.407705
47.336174
# generated using pymatgen data_Tb2Tm5In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.39199696 _cell_length_b 6.49082894 _cell_length_c 15.19839372 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 114.54167672 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb2Tm5In _chemical_formula_sum 'Tb4 Tm10 In2' _cell_volume 483.86732691 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.78158072 0.56316144 0.36737203 1 Tb Tb1 1 0.78158072 0.56316144 0.13262797 1 Tb Tb2 1 0.21841928 0.43683856 0.63262797 1 Tb Tb3 1 0.21841928 0.43683856 0.86737203 1 Tm Tm4 1 0.91565317 0.83130635 0.91116503 1 Tm Tm5 1 0.91565317 0.83130635 0.58883497 1 Tm Tm6 1 0.38930884 0.77861768 0.44616396 1 Tm Tm7 1 0.38930884 0.77861768 0.05383604 1 Tm Tm8 1 0.52738972 0.05477944 0.25000000 1 Tm Tm9 1 0.47261028 0.94522056 0.75000000 1 Tm Tm10 1 0.61069116 0.22138232 0.55383604 1 Tm Tm11 1 0.61069116 0.22138232 0.94616396 1 Tm Tm12 1 0.08434683 0.16869365 0.08883497 1 Tm Tm13 1 0.08434683 0.16869365 0.41116503 1 In In14 1 0.74930570 0.49861140 0.75000000 1 In In15 1 0.25069430 0.50138860 0.25000000 1
alex<agm003467101>
Cmcm
In-Tb-Tm
0.097409
null
null
0.000737
3,001.122783
43.339413
# generated using pymatgen data_Li2Mg _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.10020200 _cell_length_b 5.87889527 _cell_length_c 7.29031336 _cell_angle_alpha 105.58625949 _cell_angle_beta 90.00000000 _cell_angle_gamma 105.28806712 _symmetry_Int_Tables_number 1 _chemical_formula_structural Li2Mg _chemical_formula_sum 'Li4 Mg2' _cell_volume 123.09693634 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Li Li0 1 0.00105600 0.00211200 0.00147500 1 Li Li1 1 0.72209500 0.44419000 0.94390600 1 Li Li2 1 0.33432500 0.66865000 0.66825600 1 Li Li3 1 0.66666667 0.33338400 0.33437700 1 Mg Mg4 1 0.05751100 0.11502200 0.61458300 1 Mg Mg5 1 0.38498700 0.76997400 0.27073500 1
mp-982380
Cm
Li-Mg
0.007871
0
null
-0.000048
1,845.049362
22.086369
# generated using pymatgen data_Tb5TmIn4 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.57225308 _cell_length_b 3.57225308 _cell_length_c 21.75371486 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5TmIn4 _chemical_formula_sum 'Tb5 Tm1 In4' _cell_volume 277.59898277 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.50000000 0.50000000 0.11211588 1 Tb Tb1 1 0.50000000 0.50000000 0.30598426 1 Tb Tb2 1 0.50000000 0.50000000 0.50000000 1 Tb Tb3 1 0.50000000 0.50000000 0.69401574 1 Tb Tb4 1 0.50000000 0.50000000 0.88788412 1 Tm Tm5 1 0.00000000 0.00000000 0.00000000 1 In In6 1 0.00000000 0.00000000 0.20963091 1 In In7 1 0.00000000 0.00000000 0.40321768 1 In In8 1 0.00000000 0.00000000 0.59678232 1 In In9 1 0.00000000 0.00000000 0.79036909 1
alex<agm003650373>
P4/mmm
In-Tb-Tm
0.02697
null
null
0.000089
2,744.934287
57.337418
# generated using pymatgen data_Tb5TmIn3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.75760296 _cell_length_b 9.34979458 _cell_length_c 9.34979458 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb5TmIn3 _chemical_formula_sum 'Tb10 Tm2 In6' _cell_volume 511.59635514 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.00000000 0.66666667 0.33333333 1 Tb Tb1 1 0.50000000 0.33333333 0.66666667 1 Tb Tb2 1 0.00000000 0.33333333 0.66666667 1 Tb Tb3 1 0.50000000 0.66666667 0.33333333 1 Tb Tb4 1 0.25000000 1.00000000 0.66577967 1 Tb Tb5 1 0.25000000 0.33422033 0.33422033 1 Tb Tb6 1 0.25000000 0.66577967 0.00000000 1 Tb Tb7 1 0.75000000 1.00000000 0.33422033 1 Tb Tb8 1 0.75000000 0.66577967 0.66577967 1 Tb Tb9 1 0.75000000 0.33422033 1.00000000 1 Tm Tm10 1 0.00000000 0.00000000 0.00000000 1 Tm Tm11 1 0.50000000 0.00000000 0.00000000 1 In In12 1 0.25000000 1.00000000 0.33100595 1 In In13 1 0.25000000 0.66899405 0.66899405 1 In In14 1 0.25000000 0.33100595 1.00000000 1 In In15 1 0.75000000 1.00000000 0.66899405 1 In In16 1 0.75000000 0.33100595 0.33100595 1 In In17 1 0.75000000 0.66899405 1.00000000 1
alex<agm003566773>
P6_3/mcm
In-Tb-Tm
0.005972
null
null
0.004789
2,810.324873
46.962582
# generated using pymatgen data_Tb8Tm2In _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.36769872 _cell_length_b 8.31357438 _cell_length_c 8.98796353 _cell_angle_alpha 115.44843594 _cell_angle_beta 107.37382548 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb8Tm2In _chemical_formula_sum 'Tb8 Tm2 In1' _cell_volume 341.79335882 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.60920763 0.43411612 0.21841526 1 Tb Tb1 1 0.33075873 0.09694469 0.66151746 1 Tb Tb2 1 0.15878264 0.20183851 0.31756527 1 Tb Tb3 1 0.01868118 0.72552324 0.03736236 1 Tb Tb4 1 0.84121736 0.79816149 0.68243473 1 Tb Tb5 1 0.66924127 0.90305531 0.33848254 1 Tb Tb6 1 0.39079237 0.56588388 0.78158474 1 Tb Tb7 1 0.98131882 0.27447676 0.96263764 1 Tm Tm8 1 0.20038029 0.65035536 0.40076059 1 Tm Tm9 1 0.79961971 0.34964464 0.59923941 1 In In10 1 0.50000000 0.00000000 1.00000000 1
alex<agm003517225>
C2/m
In-Tb-Tm
0.096345
null
null
-0.000037
3,026.744046
53.684406
# generated using pymatgen data_TbTmIn _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.51697325 _cell_length_b 3.51697325 _cell_length_c 7.30033481 _cell_angle_alpha 103.93833875 _cell_angle_beta 103.93833872 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbTmIn _chemical_formula_sum 'Tb1 Tm1 In1' _cell_volume 84.89776159 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.95887532 0.95887532 0.91775064 1 Tm Tm1 1 0.27269092 0.27269093 0.54538185 1 In In2 1 0.61843277 0.61843277 0.23686554 1
alex<agm001842420>
I4mm
In-Tb-Tm
0.038435
null
null
0.000658
2,814.691208
32.824173
# generated using pymatgen data_Tb(Tm3In)2 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 3.66245784 _cell_length_b 6.55307487 _cell_length_c 11.75396119 _cell_angle_alpha 75.38612766 _cell_angle_beta 81.03699211 _cell_angle_gamma 73.77287187 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb(Tm3In)2 _chemical_formula_sum 'Tb1 Tm6 In2' _cell_volume 260.99129927 _cell_formula_units_Z 1 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.00000000 0.00000000 0.00000000 1 Tm Tm1 1 0.31632098 0.49162703 0.87573102 1 Tm Tm2 1 0.68367902 0.50837297 0.12426898 1 Tm Tm3 1 0.68848851 0.20524677 0.41777621 1 Tm Tm4 1 0.01400663 0.31648013 0.65550661 1 Tm Tm5 1 0.98599337 0.68351987 0.34449339 1 Tm Tm6 1 0.31151149 0.79475323 0.58222379 1 In In7 1 0.64489386 0.92110983 0.78910244 1 In In8 1 0.35510614 0.07889017 0.21089756 1
alex<agm003502173>
C2/m
In-Tb-Tm
0.033246
null
null
0.000871
2,919.85051
38.784763
# generated using pymatgen data_TbTm5In3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 6.67729879 _cell_length_b 9.22901142 _cell_length_c 9.22901142 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural TbTm5In3 _chemical_formula_sum 'Tb2 Tm10 In6' _cell_volume 492.54034309 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.00000000 0.00000000 0.00000000 1 Tb Tb1 1 0.50000000 1.00000000 -0.00000000 1 Tm Tm2 1 1.00000000 0.66666667 0.33333333 1 Tm Tm3 1 0.50000000 0.33333333 0.66666667 1 Tm Tm4 1 1.00000000 0.33333333 0.66666667 1 Tm Tm5 1 0.50000000 0.66666667 0.33333333 1 Tm Tm6 1 0.25000000 0.00000000 0.66710044 1 Tm Tm7 1 0.25000000 0.33289956 0.33289956 1 Tm Tm8 1 0.25000000 0.66710044 0.00000000 1 Tm Tm9 1 0.75000000 1.00000000 0.33289956 1 Tm Tm10 1 0.75000000 0.66710044 0.66710044 1 Tm Tm11 1 0.75000000 0.33289956 1.00000000 1 In In12 1 0.25000000 0.00000000 0.33533044 1 In In13 1 0.25000000 0.66466956 0.66466956 1 In In14 1 0.25000000 0.33533044 0.00000000 1 In In15 1 0.75000000 1.00000000 0.66466956 1 In In16 1 0.75000000 0.33533044 0.33533044 1 In In17 1 0.75000000 0.66466956 0.00000000 1
alex<agm003564579>
P6_3/mcm
In-Tb-Tm
0.001272
null
null
0.002978
2,818.927868
51.98267
# generated using pymatgen data_Tb(TmIn)3 _symmetry_space_group_name_H-M 'P 1' _cell_length_a 5.14770606 _cell_length_b 9.24807338 _cell_length_c 9.24807338 _cell_angle_alpha 120.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 90.00000000 _symmetry_Int_Tables_number 1 _chemical_formula_structural Tb(TmIn)3 _chemical_formula_sum 'Tb2 Tm6 In6' _cell_volume 381.28252934 _cell_formula_units_Z 2 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' loop_ _atom_site_type_symbol _atom_site_label _atom_site_symmetry_multiplicity _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Tb Tb0 1 0.75000000 0.33333333 0.66666667 1 Tb Tb1 1 0.25000000 0.66666667 0.33333333 1 Tm Tm2 1 0.75000000 0.22726442 0.99602791 1 Tm Tm3 1 0.75000000 0.76876349 0.77273558 1 Tm Tm4 1 0.75000000 0.00397209 0.23123651 1 Tm Tm5 1 0.25000000 0.77273558 0.00397209 1 Tm Tm6 1 0.25000000 0.23123651 0.22726442 1 Tm Tm7 1 0.25000000 0.99602791 0.76876349 1 In In8 1 0.25000000 0.38152609 0.92758651 1 In In9 1 0.25000000 0.54606042 0.61847391 1 In In10 1 0.25000000 0.07241349 0.45393958 1 In In11 1 0.75000000 0.61847391 0.07241349 1 In In12 1 0.75000000 0.45393958 0.38152609 1 In In13 1 0.75000000 0.92758651 0.54606042 1
alex<agm003545891>
P6_3/m
In-Tb-Tm
0.07568
null
null
0.001399
2,724.919661
44.554031
End of preview.