ground_truth stringclasses 273
values | perturbed stringlengths 728 1.97k |
|---|---|
# generated using pymatgen
data_Na3Cl2
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_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 83
_chemical_formula_structural ... | data_Na3Cl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.09116900
_cell_length_b 8.09116900
_cell_length_c 3.70536800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na3Cl2
_chemical_formula_su... |
# generated using pymatgen
data_Na3Cl2
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_cell_length_b 8.09116900
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_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 83
_chemical_formula_structural ... | data_Na3Cl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.09116900
_cell_length_b 8.09116900
_cell_length_c 3.70536800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na3Cl2
_chemical_formula_su... |
# generated using pymatgen
data_Na3Cl2
_symmetry_space_group_name_H-M P4/m
_cell_length_a 8.09116900
_cell_length_b 8.09116900
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_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 83
_chemical_formula_structural ... | data_Na3Cl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.09116900
_cell_length_b 8.09116900
_cell_length_c 3.70536800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na3Cl2
_chemical_formula_su... |
# generated using pymatgen
data_Na3Cl2
_symmetry_space_group_name_H-M P4/m
_cell_length_a 8.09116900
_cell_length_b 8.09116900
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_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 83
_chemical_formula_structural ... | data_Na3Cl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.09116900
_cell_length_b 8.09116900
_cell_length_c 3.70536800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na3Cl2
_chemical_formula_su... |
# generated using pymatgen
data_Na3Cl2
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_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 83
_chemical_formula_structural ... | data_Na3Cl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.09116900
_cell_length_b 8.09116900
_cell_length_c 3.70536800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na3Cl2
_chemical_formula_su... |
# generated using pymatgen
data_TiN
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_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 216
_chemical_formula_structural T... | data_TiN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60242600
_cell_length_b 4.60242600
_cell_length_c 4.60242600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiN
_chemical_formula_sum 'T... |
# generated using pymatgen
data_TiN
_symmetry_space_group_name_H-M F-43m
_cell_length_a 4.60242600
_cell_length_b 4.60242600
_cell_length_c 4.60242600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 216
_chemical_formula_structural T... | data_TiN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60242600
_cell_length_b 4.60242600
_cell_length_c 4.60242600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiN
_chemical_formula_sum 'T... |
# generated using pymatgen
data_TiN
_symmetry_space_group_name_H-M F-43m
_cell_length_a 4.60242600
_cell_length_b 4.60242600
_cell_length_c 4.60242600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 216
_chemical_formula_structural T... | data_TiN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60242600
_cell_length_b 4.60242600
_cell_length_c 4.60242600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiN
_chemical_formula_sum 'T... |
# generated using pymatgen
data_TiN
_symmetry_space_group_name_H-M F-43m
_cell_length_a 4.60242600
_cell_length_b 4.60242600
_cell_length_c 4.60242600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 216
_chemical_formula_structural T... | data_TiN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60242600
_cell_length_b 4.60242600
_cell_length_c 4.60242600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiN
_chemical_formula_sum 'T... |
# generated using pymatgen
data_TiN
_symmetry_space_group_name_H-M F-43m
_cell_length_a 4.60242600
_cell_length_b 4.60242600
_cell_length_c 4.60242600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 216
_chemical_formula_structural T... | data_TiN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.60242600
_cell_length_b 4.60242600
_cell_length_c 4.60242600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiN
_chemical_formula_sum 'T... |
# generated using pymatgen
data_SiC
_symmetry_space_group_name_H-M P3m1
_cell_length_a 3.07637017
_cell_length_b 3.07637017
_cell_length_c 25.16872034
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 156
_chemical_formula_structural ... | data_SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07637017
_cell_length_b 3.07637017
_cell_length_c 25.16872034
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiC
_chemical_formula_sum ... |
# generated using pymatgen
data_SiC
_symmetry_space_group_name_H-M P3m1
_cell_length_a 3.07637017
_cell_length_b 3.07637017
_cell_length_c 25.16872034
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 156
_chemical_formula_structural ... | data_SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07637017
_cell_length_b 3.07637017
_cell_length_c 25.16872034
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiC
_chemical_formula_sum ... |
# generated using pymatgen
data_SiC
_symmetry_space_group_name_H-M P3m1
_cell_length_a 3.07637017
_cell_length_b 3.07637017
_cell_length_c 25.16872034
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 156
_chemical_formula_structural ... | data_SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07637017
_cell_length_b 3.07637017
_cell_length_c 25.16872034
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiC
_chemical_formula_sum ... |
# generated using pymatgen
data_SiC
_symmetry_space_group_name_H-M P3m1
_cell_length_a 3.07637017
_cell_length_b 3.07637017
_cell_length_c 25.16872034
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 156
_chemical_formula_structural ... | data_SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07637017
_cell_length_b 3.07637017
_cell_length_c 25.16872034
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiC
_chemical_formula_sum ... |
# generated using pymatgen
data_SiC
_symmetry_space_group_name_H-M P3m1
_cell_length_a 3.07637017
_cell_length_b 3.07637017
_cell_length_c 25.16872034
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 156
_chemical_formula_structural ... | data_SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07637017
_cell_length_b 3.07637017
_cell_length_c 25.16872034
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural SiC
_chemical_formula_sum ... |
# generated using pymatgen
data_Fe9Co7
_symmetry_space_group_name_H-M Pm-3m
_cell_length_a 5.67308726
_cell_length_b 5.67308726
_cell_length_c 5.67308726
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 221
_chemical_formula_structural ... | data_Fe9Co7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67308726
_cell_length_b 5.67308726
_cell_length_c 5.67308726
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe9Co7
_chemical_formula_su... |
# generated using pymatgen
data_Fe9Co7
_symmetry_space_group_name_H-M Pm-3m
_cell_length_a 5.67308726
_cell_length_b 5.67308726
_cell_length_c 5.67308726
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 221
_chemical_formula_structural ... | data_Fe9Co7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67308726
_cell_length_b 5.67308726
_cell_length_c 5.67308726
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe9Co7
_chemical_formula_su... |
# generated using pymatgen
data_Fe9Co7
_symmetry_space_group_name_H-M Pm-3m
_cell_length_a 5.67308726
_cell_length_b 5.67308726
_cell_length_c 5.67308726
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 221
_chemical_formula_structural ... | data_Fe9Co7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67308726
_cell_length_b 5.67308726
_cell_length_c 5.67308726
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe9Co7
_chemical_formula_su... |
# generated using pymatgen
data_Fe9Co7
_symmetry_space_group_name_H-M Pm-3m
_cell_length_a 5.67308726
_cell_length_b 5.67308726
_cell_length_c 5.67308726
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 221
_chemical_formula_structural ... | data_Fe9Co7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67308726
_cell_length_b 5.67308726
_cell_length_c 5.67308726
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe9Co7
_chemical_formula_su... |
# generated using pymatgen
data_Fe9Co7
_symmetry_space_group_name_H-M Pm-3m
_cell_length_a 5.67308726
_cell_length_b 5.67308726
_cell_length_c 5.67308726
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 221
_chemical_formula_structural ... | data_Fe9Co7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.67308726
_cell_length_b 5.67308726
_cell_length_c 5.67308726
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe9Co7
_chemical_formula_su... |
# generated using pymatgen
data_TiAl3
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 3.82221354
_cell_length_b 3.82221354
_cell_length_c 8.56133759
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_TiAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82221354
_cell_length_b 3.82221354
_cell_length_c 8.56133759
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiAl3
_chemical_formula_sum ... |
# generated using pymatgen
data_TiAl3
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 3.82221354
_cell_length_b 3.82221354
_cell_length_c 8.56133759
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_TiAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82221354
_cell_length_b 3.82221354
_cell_length_c 8.56133759
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiAl3
_chemical_formula_sum ... |
# generated using pymatgen
data_TiAl3
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 3.82221354
_cell_length_b 3.82221354
_cell_length_c 8.56133759
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_TiAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82221354
_cell_length_b 3.82221354
_cell_length_c 8.56133759
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiAl3
_chemical_formula_sum ... |
# generated using pymatgen
data_TiAl3
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 3.82221354
_cell_length_b 3.82221354
_cell_length_c 8.56133759
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_TiAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82221354
_cell_length_b 3.82221354
_cell_length_c 8.56133759
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiAl3
_chemical_formula_sum ... |
# generated using pymatgen
data_TiAl3
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 3.82221354
_cell_length_b 3.82221354
_cell_length_c 8.56133759
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_TiAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.82221354
_cell_length_b 3.82221354
_cell_length_c 8.56133759
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiAl3
_chemical_formula_sum ... |
# generated using pymatgen
data_Fe5O7
_symmetry_space_group_name_H-M C2/m
_cell_length_a 9.74784200
_cell_length_b 2.91424000
_cell_length_c 8.88309894
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.25797379
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 12
_chemical_formula_structural ... | data_Fe5O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.74784200
_cell_length_b 2.91424000
_cell_length_c 8.88309894
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.25797379
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe5O7
_chemical_formula_sum... |
# generated using pymatgen
data_Fe5O7
_symmetry_space_group_name_H-M C2/m
_cell_length_a 9.74784200
_cell_length_b 2.91424000
_cell_length_c 8.88309894
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.25797379
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 12
_chemical_formula_structural ... | data_Fe5O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.74784200
_cell_length_b 2.91424000
_cell_length_c 8.88309894
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.25797379
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe5O7
_chemical_formula_sum... |
# generated using pymatgen
data_Fe5O7
_symmetry_space_group_name_H-M C2/m
_cell_length_a 9.74784200
_cell_length_b 2.91424000
_cell_length_c 8.88309894
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.25797379
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 12
_chemical_formula_structural ... | data_Fe5O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.74784200
_cell_length_b 2.91424000
_cell_length_c 8.88309894
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.25797379
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe5O7
_chemical_formula_sum... |
# generated using pymatgen
data_Fe5O7
_symmetry_space_group_name_H-M C2/m
_cell_length_a 9.74784200
_cell_length_b 2.91424000
_cell_length_c 8.88309894
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.25797379
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 12
_chemical_formula_structural ... | data_Fe5O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.74784200
_cell_length_b 2.91424000
_cell_length_c 8.88309894
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.25797379
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe5O7
_chemical_formula_sum... |
# generated using pymatgen
data_Fe5O7
_symmetry_space_group_name_H-M C2/m
_cell_length_a 9.74784200
_cell_length_b 2.91424000
_cell_length_c 8.88309894
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.25797379
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 12
_chemical_formula_structural ... | data_Fe5O7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.74784200
_cell_length_b 2.91424000
_cell_length_c 8.88309894
_cell_angle_alpha 90.00000000
_cell_angle_beta 105.25797379
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe5O7
_chemical_formula_sum... |
# generated using pymatgen
data_Fe13Co3
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 5.69266369
_cell_length_b 5.69266369
_cell_length_c 5.69106878
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structura... | data_Fe13Co3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69266369
_cell_length_b 5.69266369
_cell_length_c 5.69106878
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe13Co3
_chemical_formula_... |
# generated using pymatgen
data_Fe13Co3
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 5.69266369
_cell_length_b 5.69266369
_cell_length_c 5.69106878
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structura... | data_Fe13Co3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69266369
_cell_length_b 5.69266369
_cell_length_c 5.69106878
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe13Co3
_chemical_formula_... |
# generated using pymatgen
data_Fe13Co3
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 5.69266369
_cell_length_b 5.69266369
_cell_length_c 5.69106878
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structura... | data_Fe13Co3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69266369
_cell_length_b 5.69266369
_cell_length_c 5.69106878
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe13Co3
_chemical_formula_... |
# generated using pymatgen
data_Fe13Co3
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 5.69266369
_cell_length_b 5.69266369
_cell_length_c 5.69106878
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structura... | data_Fe13Co3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69266369
_cell_length_b 5.69266369
_cell_length_c 5.69106878
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe13Co3
_chemical_formula_... |
# generated using pymatgen
data_Fe13Co3
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 5.69266369
_cell_length_b 5.69266369
_cell_length_c 5.69106878
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structura... | data_Fe13Co3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.69266369
_cell_length_b 5.69266369
_cell_length_c 5.69106878
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe13Co3
_chemical_formula_... |
# generated using pymatgen
data_Ti9O10
_symmetry_space_group_name_H-M P-1
_cell_length_a 4.50437600
_cell_length_b 5.52573670
_cell_length_c 8.95099445
_cell_angle_alpha 99.30605709
_cell_angle_beta 90.54644688
_cell_angle_gamma 111.38027781
_symmetry_Int_Tables_number 2
_chemical_formula_structural T... | data_Ti9O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50437600
_cell_length_b 5.52573670
_cell_length_c 8.95099445
_cell_angle_alpha 99.30605709
_cell_angle_beta 90.54644688
_cell_angle_gamma 111.38027781
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti9O10
_chemical_formula_s... |
# generated using pymatgen
data_Ti9O10
_symmetry_space_group_name_H-M P-1
_cell_length_a 4.50437600
_cell_length_b 5.52573670
_cell_length_c 8.95099445
_cell_angle_alpha 99.30605709
_cell_angle_beta 90.54644688
_cell_angle_gamma 111.38027781
_symmetry_Int_Tables_number 2
_chemical_formula_structural T... | data_Ti9O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50437600
_cell_length_b 5.52573670
_cell_length_c 8.95099445
_cell_angle_alpha 99.30605709
_cell_angle_beta 90.54644688
_cell_angle_gamma 111.38027781
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti9O10
_chemical_formula_s... |
# generated using pymatgen
data_Ti9O10
_symmetry_space_group_name_H-M P-1
_cell_length_a 4.50437600
_cell_length_b 5.52573670
_cell_length_c 8.95099445
_cell_angle_alpha 99.30605709
_cell_angle_beta 90.54644688
_cell_angle_gamma 111.38027781
_symmetry_Int_Tables_number 2
_chemical_formula_structural T... | data_Ti9O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50437600
_cell_length_b 5.52573670
_cell_length_c 8.95099445
_cell_angle_alpha 99.30605709
_cell_angle_beta 90.54644688
_cell_angle_gamma 111.38027781
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti9O10
_chemical_formula_s... |
# generated using pymatgen
data_Ti9O10
_symmetry_space_group_name_H-M P-1
_cell_length_a 4.50437600
_cell_length_b 5.52573670
_cell_length_c 8.95099445
_cell_angle_alpha 99.30605709
_cell_angle_beta 90.54644688
_cell_angle_gamma 111.38027781
_symmetry_Int_Tables_number 2
_chemical_formula_structural T... | data_Ti9O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50437600
_cell_length_b 5.52573670
_cell_length_c 8.95099445
_cell_angle_alpha 99.30605709
_cell_angle_beta 90.54644688
_cell_angle_gamma 111.38027781
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti9O10
_chemical_formula_s... |
# generated using pymatgen
data_Ti9O10
_symmetry_space_group_name_H-M P-1
_cell_length_a 4.50437600
_cell_length_b 5.52573670
_cell_length_c 8.95099445
_cell_angle_alpha 99.30605709
_cell_angle_beta 90.54644688
_cell_angle_gamma 111.38027781
_symmetry_Int_Tables_number 2
_chemical_formula_structural T... | data_Ti9O10
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.50437600
_cell_length_b 5.52573670
_cell_length_c 8.95099445
_cell_angle_alpha 99.30605709
_cell_angle_beta 90.54644688
_cell_angle_gamma 111.38027781
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti9O10
_chemical_formula_s... |
# generated using pymatgen
data_TiAl2
_symmetry_space_group_name_H-M Cmmm
_cell_length_a 3.91093511
_cell_length_b 12.07553885
_cell_length_c 3.98894172
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 65
_chemical_formula_structural ... | data_TiAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91093511
_cell_length_b 12.07553885
_cell_length_c 3.98894172
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiAl2
_chemical_formula_sum... |
# generated using pymatgen
data_TiAl2
_symmetry_space_group_name_H-M Cmmm
_cell_length_a 3.91093511
_cell_length_b 12.07553885
_cell_length_c 3.98894172
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 65
_chemical_formula_structural ... | data_TiAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91093511
_cell_length_b 12.07553885
_cell_length_c 3.98894172
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiAl2
_chemical_formula_sum... |
# generated using pymatgen
data_TiAl2
_symmetry_space_group_name_H-M Cmmm
_cell_length_a 3.91093511
_cell_length_b 12.07553885
_cell_length_c 3.98894172
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 65
_chemical_formula_structural ... | data_TiAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91093511
_cell_length_b 12.07553885
_cell_length_c 3.98894172
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiAl2
_chemical_formula_sum... |
# generated using pymatgen
data_TiAl2
_symmetry_space_group_name_H-M Cmmm
_cell_length_a 3.91093511
_cell_length_b 12.07553885
_cell_length_c 3.98894172
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 65
_chemical_formula_structural ... | data_TiAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91093511
_cell_length_b 12.07553885
_cell_length_c 3.98894172
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiAl2
_chemical_formula_sum... |
# generated using pymatgen
data_TiAl2
_symmetry_space_group_name_H-M Cmmm
_cell_length_a 3.91093511
_cell_length_b 12.07553885
_cell_length_c 3.98894172
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 65
_chemical_formula_structural ... | data_TiAl2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.91093511
_cell_length_b 12.07553885
_cell_length_c 3.98894172
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiAl2
_chemical_formula_sum... |
# generated using pymatgen
data_MgO
_symmetry_space_group_name_H-M P6_3/mmc
_cell_length_a 2.96054086
_cell_length_b 2.96054086
_cell_length_c 29.41562071
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 194
_chemical_formula_structura... | data_MgO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.96054086
_cell_length_b 2.96054086
_cell_length_c 29.41562071
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgO
_chemical_formula_sum ... |
# generated using pymatgen
data_MgO
_symmetry_space_group_name_H-M P6_3/mmc
_cell_length_a 2.96054086
_cell_length_b 2.96054086
_cell_length_c 29.41562071
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 194
_chemical_formula_structura... | data_MgO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.96054086
_cell_length_b 2.96054086
_cell_length_c 29.41562071
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgO
_chemical_formula_sum ... |
# generated using pymatgen
data_MgO
_symmetry_space_group_name_H-M P6_3/mmc
_cell_length_a 2.96054086
_cell_length_b 2.96054086
_cell_length_c 29.41562071
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 194
_chemical_formula_structura... | data_MgO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.96054086
_cell_length_b 2.96054086
_cell_length_c 29.41562071
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgO
_chemical_formula_sum ... |
# generated using pymatgen
data_MgO
_symmetry_space_group_name_H-M P6_3/mmc
_cell_length_a 2.96054086
_cell_length_b 2.96054086
_cell_length_c 29.41562071
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 194
_chemical_formula_structura... | data_MgO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.96054086
_cell_length_b 2.96054086
_cell_length_c 29.41562071
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgO
_chemical_formula_sum ... |
# generated using pymatgen
data_MgO
_symmetry_space_group_name_H-M P6_3/mmc
_cell_length_a 2.96054086
_cell_length_b 2.96054086
_cell_length_c 29.41562071
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 194
_chemical_formula_structura... | data_MgO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.96054086
_cell_length_b 2.96054086
_cell_length_c 29.41562071
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgO
_chemical_formula_sum ... |
# generated using pymatgen
data_GaAs
_symmetry_space_group_name_H-M Pmm2
_cell_length_a 2.67506300
_cell_length_b 5.26947800
_cell_length_c 2.82210000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 25
_chemical_formula_structural Ga... | data_GaAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.67506300
_cell_length_b 5.26947800
_cell_length_c 2.82210000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaAs
_chemical_formula_sum ... |
# generated using pymatgen
data_GaAs
_symmetry_space_group_name_H-M Pmm2
_cell_length_a 2.67506300
_cell_length_b 5.26947800
_cell_length_c 2.82210000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 25
_chemical_formula_structural Ga... | data_GaAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.67506300
_cell_length_b 5.26947800
_cell_length_c 2.82210000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaAs
_chemical_formula_sum ... |
# generated using pymatgen
data_GaAs
_symmetry_space_group_name_H-M Pmm2
_cell_length_a 2.67506300
_cell_length_b 5.26947800
_cell_length_c 2.82210000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 25
_chemical_formula_structural Ga... | data_GaAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.67506300
_cell_length_b 5.26947800
_cell_length_c 2.82210000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaAs
_chemical_formula_sum ... |
# generated using pymatgen
data_GaAs
_symmetry_space_group_name_H-M Pmm2
_cell_length_a 2.67506300
_cell_length_b 5.26947800
_cell_length_c 2.82210000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 25
_chemical_formula_structural Ga... | data_GaAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.67506300
_cell_length_b 5.26947800
_cell_length_c 2.82210000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaAs
_chemical_formula_sum ... |
# generated using pymatgen
data_GaAs
_symmetry_space_group_name_H-M Pmm2
_cell_length_a 2.67506300
_cell_length_b 5.26947800
_cell_length_c 2.82210000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 25
_chemical_formula_structural Ga... | data_GaAs
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.67506300
_cell_length_b 5.26947800
_cell_length_c 2.82210000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaAs
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti3N
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 3.48969800
_cell_length_b 3.48969800
_cell_length_c 8.65843200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_Ti3N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48969800
_cell_length_b 3.48969800
_cell_length_c 8.65843200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti3N
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti3N
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 3.48969800
_cell_length_b 3.48969800
_cell_length_c 8.65843200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_Ti3N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48969800
_cell_length_b 3.48969800
_cell_length_c 8.65843200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti3N
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti3N
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 3.48969800
_cell_length_b 3.48969800
_cell_length_c 8.65843200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_Ti3N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48969800
_cell_length_b 3.48969800
_cell_length_c 8.65843200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti3N
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti3N
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 3.48969800
_cell_length_b 3.48969800
_cell_length_c 8.65843200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_Ti3N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48969800
_cell_length_b 3.48969800
_cell_length_c 8.65843200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti3N
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti3N
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 3.48969800
_cell_length_b 3.48969800
_cell_length_c 8.65843200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_Ti3N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.48969800
_cell_length_b 3.48969800
_cell_length_c 8.65843200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti3N
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti4O5
_symmetry_space_group_name_H-M I4/m
_cell_length_a 6.61233584
_cell_length_b 6.61233584
_cell_length_c 4.15057096
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 87
_chemical_formula_structural T... | data_Ti4O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.61233584
_cell_length_b 6.61233584
_cell_length_c 4.15057096
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti4O5
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti4O5
_symmetry_space_group_name_H-M I4/m
_cell_length_a 6.61233584
_cell_length_b 6.61233584
_cell_length_c 4.15057096
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 87
_chemical_formula_structural T... | data_Ti4O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.61233584
_cell_length_b 6.61233584
_cell_length_c 4.15057096
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti4O5
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti4O5
_symmetry_space_group_name_H-M I4/m
_cell_length_a 6.61233584
_cell_length_b 6.61233584
_cell_length_c 4.15057096
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 87
_chemical_formula_structural T... | data_Ti4O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.61233584
_cell_length_b 6.61233584
_cell_length_c 4.15057096
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti4O5
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti4O5
_symmetry_space_group_name_H-M I4/m
_cell_length_a 6.61233584
_cell_length_b 6.61233584
_cell_length_c 4.15057096
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 87
_chemical_formula_structural T... | data_Ti4O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.61233584
_cell_length_b 6.61233584
_cell_length_c 4.15057096
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti4O5
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti4O5
_symmetry_space_group_name_H-M I4/m
_cell_length_a 6.61233584
_cell_length_b 6.61233584
_cell_length_c 4.15057096
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 87
_chemical_formula_structural T... | data_Ti4O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.61233584
_cell_length_b 6.61233584
_cell_length_c 4.15057096
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti4O5
_chemical_formula_sum ... |
# generated using pymatgen
data_Fe3O4
_symmetry_space_group_name_H-M Cmmm
_cell_length_a 6.00896153
_cell_length_b 8.11120819
_cell_length_c 3.00756923
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 65
_chemical_formula_structural F... | data_Fe3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00896153
_cell_length_b 8.11120819
_cell_length_c 3.00756923
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe3O4
_chemical_formula_sum ... |
# generated using pymatgen
data_Fe3O4
_symmetry_space_group_name_H-M Cmmm
_cell_length_a 6.00896153
_cell_length_b 8.11120819
_cell_length_c 3.00756923
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 65
_chemical_formula_structural F... | data_Fe3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00896153
_cell_length_b 8.11120819
_cell_length_c 3.00756923
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe3O4
_chemical_formula_sum ... |
# generated using pymatgen
data_Fe3O4
_symmetry_space_group_name_H-M Cmmm
_cell_length_a 6.00896153
_cell_length_b 8.11120819
_cell_length_c 3.00756923
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 65
_chemical_formula_structural F... | data_Fe3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00896153
_cell_length_b 8.11120819
_cell_length_c 3.00756923
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe3O4
_chemical_formula_sum ... |
# generated using pymatgen
data_Fe3O4
_symmetry_space_group_name_H-M Cmmm
_cell_length_a 6.00896153
_cell_length_b 8.11120819
_cell_length_c 3.00756923
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 65
_chemical_formula_structural F... | data_Fe3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00896153
_cell_length_b 8.11120819
_cell_length_c 3.00756923
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe3O4
_chemical_formula_sum ... |
# generated using pymatgen
data_Fe3O4
_symmetry_space_group_name_H-M Cmmm
_cell_length_a 6.00896153
_cell_length_b 8.11120819
_cell_length_c 3.00756923
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 65
_chemical_formula_structural F... | data_Fe3O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.00896153
_cell_length_b 8.11120819
_cell_length_c 3.00756923
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe3O4
_chemical_formula_sum ... |
# generated using pymatgen
data_ZnO2
_symmetry_space_group_name_H-M Pnma
_cell_length_a 7.66725000
_cell_length_b 3.23025200
_cell_length_c 5.23542500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural Zn... | data_ZnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.66725000
_cell_length_b 3.23025200
_cell_length_c 5.23542500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnO2
_chemical_formula_sum ... |
# generated using pymatgen
data_ZnO2
_symmetry_space_group_name_H-M Pnma
_cell_length_a 7.66725000
_cell_length_b 3.23025200
_cell_length_c 5.23542500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural Zn... | data_ZnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.66725000
_cell_length_b 3.23025200
_cell_length_c 5.23542500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnO2
_chemical_formula_sum ... |
# generated using pymatgen
data_ZnO2
_symmetry_space_group_name_H-M Pnma
_cell_length_a 7.66725000
_cell_length_b 3.23025200
_cell_length_c 5.23542500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural Zn... | data_ZnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.66725000
_cell_length_b 3.23025200
_cell_length_c 5.23542500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnO2
_chemical_formula_sum ... |
# generated using pymatgen
data_ZnO2
_symmetry_space_group_name_H-M Pnma
_cell_length_a 7.66725000
_cell_length_b 3.23025200
_cell_length_c 5.23542500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural Zn... | data_ZnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.66725000
_cell_length_b 3.23025200
_cell_length_c 5.23542500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnO2
_chemical_formula_sum ... |
# generated using pymatgen
data_ZnO2
_symmetry_space_group_name_H-M Pnma
_cell_length_a 7.66725000
_cell_length_b 3.23025200
_cell_length_c 5.23542500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural Zn... | data_ZnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.66725000
_cell_length_b 3.23025200
_cell_length_c 5.23542500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnO2
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti2N
_symmetry_space_group_name_H-M P4_2/mnm
_cell_length_a 4.94232613
_cell_length_b 4.94232613
_cell_length_c 3.02970931
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 136
_chemical_formula_structural... | data_Ti2N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94232613
_cell_length_b 4.94232613
_cell_length_c 3.02970931
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2N
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti2N
_symmetry_space_group_name_H-M P4_2/mnm
_cell_length_a 4.94232613
_cell_length_b 4.94232613
_cell_length_c 3.02970931
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 136
_chemical_formula_structural... | data_Ti2N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94232613
_cell_length_b 4.94232613
_cell_length_c 3.02970931
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2N
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti2N
_symmetry_space_group_name_H-M P4_2/mnm
_cell_length_a 4.94232613
_cell_length_b 4.94232613
_cell_length_c 3.02970931
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 136
_chemical_formula_structural... | data_Ti2N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94232613
_cell_length_b 4.94232613
_cell_length_c 3.02970931
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2N
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti2N
_symmetry_space_group_name_H-M P4_2/mnm
_cell_length_a 4.94232613
_cell_length_b 4.94232613
_cell_length_c 3.02970931
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 136
_chemical_formula_structural... | data_Ti2N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94232613
_cell_length_b 4.94232613
_cell_length_c 3.02970931
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2N
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti2N
_symmetry_space_group_name_H-M P4_2/mnm
_cell_length_a 4.94232613
_cell_length_b 4.94232613
_cell_length_c 3.02970931
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 136
_chemical_formula_structural... | data_Ti2N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.94232613
_cell_length_b 4.94232613
_cell_length_c 3.02970931
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2N
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti3O8
_symmetry_space_group_name_H-M P-4m2
_cell_length_a 3.78237900
_cell_length_b 3.78237900
_cell_length_c 9.61863300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 115
_chemical_formula_structural ... | data_Ti3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78237900
_cell_length_b 3.78237900
_cell_length_c 9.61863300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti3O8
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti3O8
_symmetry_space_group_name_H-M P-4m2
_cell_length_a 3.78237900
_cell_length_b 3.78237900
_cell_length_c 9.61863300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 115
_chemical_formula_structural ... | data_Ti3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78237900
_cell_length_b 3.78237900
_cell_length_c 9.61863300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti3O8
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti3O8
_symmetry_space_group_name_H-M P-4m2
_cell_length_a 3.78237900
_cell_length_b 3.78237900
_cell_length_c 9.61863300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 115
_chemical_formula_structural ... | data_Ti3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78237900
_cell_length_b 3.78237900
_cell_length_c 9.61863300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti3O8
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti3O8
_symmetry_space_group_name_H-M P-4m2
_cell_length_a 3.78237900
_cell_length_b 3.78237900
_cell_length_c 9.61863300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 115
_chemical_formula_structural ... | data_Ti3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78237900
_cell_length_b 3.78237900
_cell_length_c 9.61863300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti3O8
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti3O8
_symmetry_space_group_name_H-M P-4m2
_cell_length_a 3.78237900
_cell_length_b 3.78237900
_cell_length_c 9.61863300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 115
_chemical_formula_structural ... | data_Ti3O8
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.78237900
_cell_length_b 3.78237900
_cell_length_c 9.61863300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti3O8
_chemical_formula_sum ... |
# generated using pymatgen
data_Fe2O3
_symmetry_space_group_name_H-M Pbcn
_cell_length_a 7.52444100
_cell_length_b 5.17271100
_cell_length_c 5.32473500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 60
_chemical_formula_structural F... | data_Fe2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.52444100
_cell_length_b 5.17271100
_cell_length_c 5.32473500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe2O3
_chemical_formula_sum ... |
# generated using pymatgen
data_Fe2O3
_symmetry_space_group_name_H-M Pbcn
_cell_length_a 7.52444100
_cell_length_b 5.17271100
_cell_length_c 5.32473500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 60
_chemical_formula_structural F... | data_Fe2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.52444100
_cell_length_b 5.17271100
_cell_length_c 5.32473500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe2O3
_chemical_formula_sum ... |
# generated using pymatgen
data_Fe2O3
_symmetry_space_group_name_H-M Pbcn
_cell_length_a 7.52444100
_cell_length_b 5.17271100
_cell_length_c 5.32473500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 60
_chemical_formula_structural F... | data_Fe2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.52444100
_cell_length_b 5.17271100
_cell_length_c 5.32473500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe2O3
_chemical_formula_sum ... |
# generated using pymatgen
data_Fe2O3
_symmetry_space_group_name_H-M Pbcn
_cell_length_a 7.52444100
_cell_length_b 5.17271100
_cell_length_c 5.32473500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 60
_chemical_formula_structural F... | data_Fe2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.52444100
_cell_length_b 5.17271100
_cell_length_c 5.32473500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe2O3
_chemical_formula_sum ... |
# generated using pymatgen
data_Fe2O3
_symmetry_space_group_name_H-M Pbcn
_cell_length_a 7.52444100
_cell_length_b 5.17271100
_cell_length_c 5.32473500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 60
_chemical_formula_structural F... | data_Fe2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.52444100
_cell_length_b 5.17271100
_cell_length_c 5.32473500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe2O3
_chemical_formula_sum ... |
# generated using pymatgen
data_AlN
_symmetry_space_group_name_H-M P6_3/mmc
_cell_length_a 3.31211574
_cell_length_b 3.31211574
_cell_length_c 4.18756300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 194
_chemical_formula_structural... | data_AlN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31211574
_cell_length_b 3.31211574
_cell_length_c 4.18756300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlN
_chemical_formula_sum '... |
# generated using pymatgen
data_AlN
_symmetry_space_group_name_H-M P6_3/mmc
_cell_length_a 3.31211574
_cell_length_b 3.31211574
_cell_length_c 4.18756300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 194
_chemical_formula_structural... | data_AlN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31211574
_cell_length_b 3.31211574
_cell_length_c 4.18756300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlN
_chemical_formula_sum '... |
# generated using pymatgen
data_AlN
_symmetry_space_group_name_H-M P6_3/mmc
_cell_length_a 3.31211574
_cell_length_b 3.31211574
_cell_length_c 4.18756300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 194
_chemical_formula_structural... | data_AlN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31211574
_cell_length_b 3.31211574
_cell_length_c 4.18756300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlN
_chemical_formula_sum '... |
# generated using pymatgen
data_AlN
_symmetry_space_group_name_H-M P6_3/mmc
_cell_length_a 3.31211574
_cell_length_b 3.31211574
_cell_length_c 4.18756300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 194
_chemical_formula_structural... | data_AlN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31211574
_cell_length_b 3.31211574
_cell_length_c 4.18756300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlN
_chemical_formula_sum '... |
# generated using pymatgen
data_AlN
_symmetry_space_group_name_H-M P6_3/mmc
_cell_length_a 3.31211574
_cell_length_b 3.31211574
_cell_length_c 4.18756300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 194
_chemical_formula_structural... | data_AlN
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.31211574
_cell_length_b 3.31211574
_cell_length_c 4.18756300
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlN
_chemical_formula_sum '... |
# generated using pymatgen
data_Na2Cl
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 3.55608800
_cell_length_b 3.55608800
_cell_length_c 12.59257400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structural... | data_Na2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55608800
_cell_length_b 3.55608800
_cell_length_c 12.59257400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2Cl
_chemical_formula_sum... |
# generated using pymatgen
data_Na2Cl
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 3.55608800
_cell_length_b 3.55608800
_cell_length_c 12.59257400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structural... | data_Na2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55608800
_cell_length_b 3.55608800
_cell_length_c 12.59257400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2Cl
_chemical_formula_sum... |
# generated using pymatgen
data_Na2Cl
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 3.55608800
_cell_length_b 3.55608800
_cell_length_c 12.59257400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structural... | data_Na2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55608800
_cell_length_b 3.55608800
_cell_length_c 12.59257400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2Cl
_chemical_formula_sum... |
# generated using pymatgen
data_Na2Cl
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 3.55608800
_cell_length_b 3.55608800
_cell_length_c 12.59257400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structural... | data_Na2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55608800
_cell_length_b 3.55608800
_cell_length_c 12.59257400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2Cl
_chemical_formula_sum... |
# generated using pymatgen
data_Na2Cl
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 3.55608800
_cell_length_b 3.55608800
_cell_length_c 12.59257400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structural... | data_Na2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.55608800
_cell_length_b 3.55608800
_cell_length_c 12.59257400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Na2Cl
_chemical_formula_sum... |
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