ground_truth stringclasses 273
values | perturbed stringlengths 728 1.97k |
|---|---|
# generated using pymatgen
data_Mo2C
_symmetry_space_group_name_H-M Pbcn
_cell_length_a 4.72854310
_cell_length_b 6.05260249
_cell_length_c 5.20975702
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 60
_chemical_formula_structural Mo... | data_Mo2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72854310
_cell_length_b 6.05260249
_cell_length_c 5.20975702
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mo2C
_chemical_formula_sum ... |
# generated using pymatgen
data_Mo2C
_symmetry_space_group_name_H-M Pbcn
_cell_length_a 4.72854310
_cell_length_b 6.05260249
_cell_length_c 5.20975702
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 60
_chemical_formula_structural Mo... | data_Mo2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72854310
_cell_length_b 6.05260249
_cell_length_c 5.20975702
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mo2C
_chemical_formula_sum ... |
# generated using pymatgen
data_Mo2C
_symmetry_space_group_name_H-M Pbcn
_cell_length_a 4.72854310
_cell_length_b 6.05260249
_cell_length_c 5.20975702
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 60
_chemical_formula_structural Mo... | data_Mo2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72854310
_cell_length_b 6.05260249
_cell_length_c 5.20975702
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mo2C
_chemical_formula_sum ... |
# generated using pymatgen
data_Mo2C
_symmetry_space_group_name_H-M Pbcn
_cell_length_a 4.72854310
_cell_length_b 6.05260249
_cell_length_c 5.20975702
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 60
_chemical_formula_structural Mo... | data_Mo2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72854310
_cell_length_b 6.05260249
_cell_length_c 5.20975702
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mo2C
_chemical_formula_sum ... |
# generated using pymatgen
data_Mo2C
_symmetry_space_group_name_H-M Pbcn
_cell_length_a 4.72854310
_cell_length_b 6.05260249
_cell_length_c 5.20975702
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 60
_chemical_formula_structural Mo... | data_Mo2C
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.72854310
_cell_length_b 6.05260249
_cell_length_c 5.20975702
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mo2C
_chemical_formula_sum ... |
# generated using pymatgen
data_NaCl
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 5.58812644
_cell_length_b 5.58812644
_cell_length_c 5.58812644
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_NaCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58812644
_cell_length_b 5.58812644
_cell_length_c 5.58812644
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaCl
_chemical_formula_sum ... |
# generated using pymatgen
data_NaCl
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 5.58812644
_cell_length_b 5.58812644
_cell_length_c 5.58812644
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_NaCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58812644
_cell_length_b 5.58812644
_cell_length_c 5.58812644
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaCl
_chemical_formula_sum ... |
# generated using pymatgen
data_NaCl
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 5.58812644
_cell_length_b 5.58812644
_cell_length_c 5.58812644
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_NaCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58812644
_cell_length_b 5.58812644
_cell_length_c 5.58812644
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaCl
_chemical_formula_sum ... |
# generated using pymatgen
data_NaCl
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 5.58812644
_cell_length_b 5.58812644
_cell_length_c 5.58812644
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_NaCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58812644
_cell_length_b 5.58812644
_cell_length_c 5.58812644
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaCl
_chemical_formula_sum ... |
# generated using pymatgen
data_NaCl
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 5.58812644
_cell_length_b 5.58812644
_cell_length_c 5.58812644
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_NaCl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.58812644
_cell_length_b 5.58812644
_cell_length_c 5.58812644
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural NaCl
_chemical_formula_sum ... |
# generated using pymatgen
data_SiC
_symmetry_space_group_name_H-M P6_3mc
_cell_length_a 3.07569415
_cell_length_b 3.07569415
_cell_length_c 10.07064648
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 186
_chemical_formula_structural ... | data_SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07569415
_cell_length_b 3.07569415
_cell_length_c 10.07064648
_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 P6_3mc
_cell_length_a 3.07569415
_cell_length_b 3.07569415
_cell_length_c 10.07064648
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 186
_chemical_formula_structural ... | data_SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07569415
_cell_length_b 3.07569415
_cell_length_c 10.07064648
_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 P6_3mc
_cell_length_a 3.07569415
_cell_length_b 3.07569415
_cell_length_c 10.07064648
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 186
_chemical_formula_structural ... | data_SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07569415
_cell_length_b 3.07569415
_cell_length_c 10.07064648
_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 P6_3mc
_cell_length_a 3.07569415
_cell_length_b 3.07569415
_cell_length_c 10.07064648
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 186
_chemical_formula_structural ... | data_SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07569415
_cell_length_b 3.07569415
_cell_length_c 10.07064648
_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 P6_3mc
_cell_length_a 3.07569415
_cell_length_b 3.07569415
_cell_length_c 10.07064648
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 186
_chemical_formula_structural ... | data_SiC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.07569415
_cell_length_b 3.07569415
_cell_length_c 10.07064648
_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_FeO
_symmetry_space_group_name_H-M C2/m
_cell_length_a 5.34965468
_cell_length_b 3.15462894
_cell_length_c 5.33245142
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.79387025
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 12
_chemical_formula_structural Fe... | data_FeO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34965468
_cell_length_b 3.15462894
_cell_length_c 5.33245142
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.79387025
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeO
_chemical_formula_sum '... |
# generated using pymatgen
data_FeO
_symmetry_space_group_name_H-M C2/m
_cell_length_a 5.34965468
_cell_length_b 3.15462894
_cell_length_c 5.33245142
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.79387025
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 12
_chemical_formula_structural Fe... | data_FeO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34965468
_cell_length_b 3.15462894
_cell_length_c 5.33245142
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.79387025
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeO
_chemical_formula_sum '... |
# generated using pymatgen
data_FeO
_symmetry_space_group_name_H-M C2/m
_cell_length_a 5.34965468
_cell_length_b 3.15462894
_cell_length_c 5.33245142
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.79387025
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 12
_chemical_formula_structural Fe... | data_FeO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34965468
_cell_length_b 3.15462894
_cell_length_c 5.33245142
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.79387025
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeO
_chemical_formula_sum '... |
# generated using pymatgen
data_FeO
_symmetry_space_group_name_H-M C2/m
_cell_length_a 5.34965468
_cell_length_b 3.15462894
_cell_length_c 5.33245142
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.79387025
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 12
_chemical_formula_structural Fe... | data_FeO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34965468
_cell_length_b 3.15462894
_cell_length_c 5.33245142
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.79387025
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeO
_chemical_formula_sum '... |
# generated using pymatgen
data_FeO
_symmetry_space_group_name_H-M C2/m
_cell_length_a 5.34965468
_cell_length_b 3.15462894
_cell_length_c 5.33245142
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.79387025
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 12
_chemical_formula_structural Fe... | data_FeO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.34965468
_cell_length_b 3.15462894
_cell_length_c 5.33245142
_cell_angle_alpha 90.00000000
_cell_angle_beta 108.79387025
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeO
_chemical_formula_sum '... |
# generated using pymatgen
data_Ti2O3
_symmetry_space_group_name_H-M P2_1/m
_cell_length_a 5.15550331
_cell_length_b 3.01496730
_cell_length_c 7.23138802
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.74920298
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 11
_chemical_formula_structural ... | data_Ti2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15550331
_cell_length_b 3.01496730
_cell_length_c 7.23138802
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.74920298
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2O3
_chemical_formula_sum... |
# generated using pymatgen
data_Ti2O3
_symmetry_space_group_name_H-M P2_1/m
_cell_length_a 5.15550331
_cell_length_b 3.01496730
_cell_length_c 7.23138802
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.74920298
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 11
_chemical_formula_structural ... | data_Ti2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15550331
_cell_length_b 3.01496730
_cell_length_c 7.23138802
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.74920298
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2O3
_chemical_formula_sum... |
# generated using pymatgen
data_Ti2O3
_symmetry_space_group_name_H-M P2_1/m
_cell_length_a 5.15550331
_cell_length_b 3.01496730
_cell_length_c 7.23138802
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.74920298
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 11
_chemical_formula_structural ... | data_Ti2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15550331
_cell_length_b 3.01496730
_cell_length_c 7.23138802
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.74920298
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2O3
_chemical_formula_sum... |
# generated using pymatgen
data_Ti2O3
_symmetry_space_group_name_H-M P2_1/m
_cell_length_a 5.15550331
_cell_length_b 3.01496730
_cell_length_c 7.23138802
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.74920298
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 11
_chemical_formula_structural ... | data_Ti2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15550331
_cell_length_b 3.01496730
_cell_length_c 7.23138802
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.74920298
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2O3
_chemical_formula_sum... |
# generated using pymatgen
data_Ti2O3
_symmetry_space_group_name_H-M P2_1/m
_cell_length_a 5.15550331
_cell_length_b 3.01496730
_cell_length_c 7.23138802
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.74920298
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 11
_chemical_formula_structural ... | data_Ti2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.15550331
_cell_length_b 3.01496730
_cell_length_c 7.23138802
_cell_angle_alpha 90.00000000
_cell_angle_beta 101.74920298
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2O3
_chemical_formula_sum... |
# generated using pymatgen
data_MoC
_symmetry_space_group_name_H-M P-6m2
_cell_length_a 2.91199143
_cell_length_b 2.91199143
_cell_length_c 2.82037804
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 187
_chemical_formula_structural ... | data_MoC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91199143
_cell_length_b 2.91199143
_cell_length_c 2.82037804
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MoC
_chemical_formula_sum '... |
# generated using pymatgen
data_MoC
_symmetry_space_group_name_H-M P-6m2
_cell_length_a 2.91199143
_cell_length_b 2.91199143
_cell_length_c 2.82037804
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 187
_chemical_formula_structural ... | data_MoC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91199143
_cell_length_b 2.91199143
_cell_length_c 2.82037804
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MoC
_chemical_formula_sum '... |
# generated using pymatgen
data_MoC
_symmetry_space_group_name_H-M P-6m2
_cell_length_a 2.91199143
_cell_length_b 2.91199143
_cell_length_c 2.82037804
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 187
_chemical_formula_structural ... | data_MoC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91199143
_cell_length_b 2.91199143
_cell_length_c 2.82037804
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MoC
_chemical_formula_sum '... |
# generated using pymatgen
data_MoC
_symmetry_space_group_name_H-M P-6m2
_cell_length_a 2.91199143
_cell_length_b 2.91199143
_cell_length_c 2.82037804
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 187
_chemical_formula_structural ... | data_MoC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91199143
_cell_length_b 2.91199143
_cell_length_c 2.82037804
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MoC
_chemical_formula_sum '... |
# generated using pymatgen
data_MoC
_symmetry_space_group_name_H-M P-6m2
_cell_length_a 2.91199143
_cell_length_b 2.91199143
_cell_length_c 2.82037804
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 187
_chemical_formula_structural ... | data_MoC
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.91199143
_cell_length_b 2.91199143
_cell_length_c 2.82037804
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MoC
_chemical_formula_sum '... |
# generated using pymatgen
data_Fe4S5
_symmetry_space_group_name_H-M P4/n
_cell_length_a 7.85683785
_cell_length_b 7.85683785
_cell_length_c 10.37220200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 85
_chemical_formula_structural ... | data_Fe4S5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.85683785
_cell_length_b 7.85683785
_cell_length_c 10.37220200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe4S5
_chemical_formula_sum... |
# generated using pymatgen
data_Fe4S5
_symmetry_space_group_name_H-M P4/n
_cell_length_a 7.85683785
_cell_length_b 7.85683785
_cell_length_c 10.37220200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 85
_chemical_formula_structural ... | data_Fe4S5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.85683785
_cell_length_b 7.85683785
_cell_length_c 10.37220200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe4S5
_chemical_formula_sum... |
# generated using pymatgen
data_Fe4S5
_symmetry_space_group_name_H-M P4/n
_cell_length_a 7.85683785
_cell_length_b 7.85683785
_cell_length_c 10.37220200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 85
_chemical_formula_structural ... | data_Fe4S5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.85683785
_cell_length_b 7.85683785
_cell_length_c 10.37220200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe4S5
_chemical_formula_sum... |
# generated using pymatgen
data_Fe4S5
_symmetry_space_group_name_H-M P4/n
_cell_length_a 7.85683785
_cell_length_b 7.85683785
_cell_length_c 10.37220200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 85
_chemical_formula_structural ... | data_Fe4S5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.85683785
_cell_length_b 7.85683785
_cell_length_c 10.37220200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe4S5
_chemical_formula_sum... |
# generated using pymatgen
data_Fe4S5
_symmetry_space_group_name_H-M P4/n
_cell_length_a 7.85683785
_cell_length_b 7.85683785
_cell_length_c 10.37220200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 85
_chemical_formula_structural ... | data_Fe4S5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.85683785
_cell_length_b 7.85683785
_cell_length_c 10.37220200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe4S5
_chemical_formula_sum... |
# generated using pymatgen
data_FeCo9
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 5.17924300
_cell_length_b 5.17924300
_cell_length_c 4.85901400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structural ... | data_FeCo9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17924300
_cell_length_b 5.17924300
_cell_length_c 4.85901400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeCo9
_chemical_formula_sum ... |
# generated using pymatgen
data_FeCo9
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 5.17924300
_cell_length_b 5.17924300
_cell_length_c 4.85901400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structural ... | data_FeCo9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17924300
_cell_length_b 5.17924300
_cell_length_c 4.85901400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeCo9
_chemical_formula_sum ... |
# generated using pymatgen
data_FeCo9
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 5.17924300
_cell_length_b 5.17924300
_cell_length_c 4.85901400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structural ... | data_FeCo9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17924300
_cell_length_b 5.17924300
_cell_length_c 4.85901400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeCo9
_chemical_formula_sum ... |
# generated using pymatgen
data_FeCo9
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 5.17924300
_cell_length_b 5.17924300
_cell_length_c 4.85901400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structural ... | data_FeCo9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17924300
_cell_length_b 5.17924300
_cell_length_c 4.85901400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeCo9
_chemical_formula_sum ... |
# generated using pymatgen
data_FeCo9
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 5.17924300
_cell_length_b 5.17924300
_cell_length_c 4.85901400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structural ... | data_FeCo9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.17924300
_cell_length_b 5.17924300
_cell_length_c 4.85901400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeCo9
_chemical_formula_sum ... |
# generated using pymatgen
data_TiO2
_symmetry_space_group_name_H-M R-3m
_cell_length_a 2.99466240
_cell_length_b 2.99466240
_cell_length_c 20.94463318
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 166
_chemical_formula_structural ... | data_TiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.99466240
_cell_length_b 2.99466240
_cell_length_c 20.94463318
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiO2
_chemical_formula_sum ... |
# generated using pymatgen
data_TiO2
_symmetry_space_group_name_H-M R-3m
_cell_length_a 2.99466240
_cell_length_b 2.99466240
_cell_length_c 20.94463318
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 166
_chemical_formula_structural ... | data_TiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.99466240
_cell_length_b 2.99466240
_cell_length_c 20.94463318
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiO2
_chemical_formula_sum ... |
# generated using pymatgen
data_TiO2
_symmetry_space_group_name_H-M R-3m
_cell_length_a 2.99466240
_cell_length_b 2.99466240
_cell_length_c 20.94463318
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 166
_chemical_formula_structural ... | data_TiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.99466240
_cell_length_b 2.99466240
_cell_length_c 20.94463318
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiO2
_chemical_formula_sum ... |
# generated using pymatgen
data_TiO2
_symmetry_space_group_name_H-M R-3m
_cell_length_a 2.99466240
_cell_length_b 2.99466240
_cell_length_c 20.94463318
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 166
_chemical_formula_structural ... | data_TiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.99466240
_cell_length_b 2.99466240
_cell_length_c 20.94463318
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiO2
_chemical_formula_sum ... |
# generated using pymatgen
data_TiO2
_symmetry_space_group_name_H-M R-3m
_cell_length_a 2.99466240
_cell_length_b 2.99466240
_cell_length_c 20.94463318
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 166
_chemical_formula_structural ... | data_TiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.99466240
_cell_length_b 2.99466240
_cell_length_c 20.94463318
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiO2
_chemical_formula_sum ... |
# generated using pymatgen
data_ZnS
_symmetry_space_group_name_H-M P3m1
_cell_length_a 3.80633062
_cell_length_b 3.80633062
_cell_length_c 24.91097672
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 156
_chemical_formula_structural ... | data_ZnS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80633062
_cell_length_b 3.80633062
_cell_length_c 24.91097672
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnS
_chemical_formula_sum ... |
# generated using pymatgen
data_ZnS
_symmetry_space_group_name_H-M P3m1
_cell_length_a 3.80633062
_cell_length_b 3.80633062
_cell_length_c 24.91097672
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 156
_chemical_formula_structural ... | data_ZnS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80633062
_cell_length_b 3.80633062
_cell_length_c 24.91097672
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnS
_chemical_formula_sum ... |
# generated using pymatgen
data_ZnS
_symmetry_space_group_name_H-M P3m1
_cell_length_a 3.80633062
_cell_length_b 3.80633062
_cell_length_c 24.91097672
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 156
_chemical_formula_structural ... | data_ZnS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80633062
_cell_length_b 3.80633062
_cell_length_c 24.91097672
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnS
_chemical_formula_sum ... |
# generated using pymatgen
data_ZnS
_symmetry_space_group_name_H-M P3m1
_cell_length_a 3.80633062
_cell_length_b 3.80633062
_cell_length_c 24.91097672
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 156
_chemical_formula_structural ... | data_ZnS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80633062
_cell_length_b 3.80633062
_cell_length_c 24.91097672
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnS
_chemical_formula_sum ... |
# generated using pymatgen
data_ZnS
_symmetry_space_group_name_H-M P3m1
_cell_length_a 3.80633062
_cell_length_b 3.80633062
_cell_length_c 24.91097672
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 156
_chemical_formula_structural ... | data_ZnS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.80633062
_cell_length_b 3.80633062
_cell_length_c 24.91097672
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnS
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti2O
_symmetry_space_group_name_H-M P-3m1
_cell_length_a 2.95407932
_cell_length_b 2.95407932
_cell_length_c 4.82233863
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 164
_chemical_formula_structural ... | data_Ti2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95407932
_cell_length_b 2.95407932
_cell_length_c 4.82233863
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2O
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti2O
_symmetry_space_group_name_H-M P-3m1
_cell_length_a 2.95407932
_cell_length_b 2.95407932
_cell_length_c 4.82233863
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 164
_chemical_formula_structural ... | data_Ti2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95407932
_cell_length_b 2.95407932
_cell_length_c 4.82233863
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2O
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti2O
_symmetry_space_group_name_H-M P-3m1
_cell_length_a 2.95407932
_cell_length_b 2.95407932
_cell_length_c 4.82233863
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 164
_chemical_formula_structural ... | data_Ti2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95407932
_cell_length_b 2.95407932
_cell_length_c 4.82233863
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2O
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti2O
_symmetry_space_group_name_H-M P-3m1
_cell_length_a 2.95407932
_cell_length_b 2.95407932
_cell_length_c 4.82233863
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 164
_chemical_formula_structural ... | data_Ti2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95407932
_cell_length_b 2.95407932
_cell_length_c 4.82233863
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2O
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti2O
_symmetry_space_group_name_H-M P-3m1
_cell_length_a 2.95407932
_cell_length_b 2.95407932
_cell_length_c 4.82233863
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 164
_chemical_formula_structural ... | data_Ti2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.95407932
_cell_length_b 2.95407932
_cell_length_c 4.82233863
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2O
_chemical_formula_sum ... |
# generated using pymatgen
data_TiO2
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 4.84000000
_cell_length_b 4.84000000
_cell_length_c 4.84000000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_TiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84000000
_cell_length_b 4.84000000
_cell_length_c 4.84000000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiO2
_chemical_formula_sum ... |
# generated using pymatgen
data_TiO2
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 4.84000000
_cell_length_b 4.84000000
_cell_length_c 4.84000000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_TiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84000000
_cell_length_b 4.84000000
_cell_length_c 4.84000000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiO2
_chemical_formula_sum ... |
# generated using pymatgen
data_TiO2
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 4.84000000
_cell_length_b 4.84000000
_cell_length_c 4.84000000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_TiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84000000
_cell_length_b 4.84000000
_cell_length_c 4.84000000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiO2
_chemical_formula_sum ... |
# generated using pymatgen
data_TiO2
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 4.84000000
_cell_length_b 4.84000000
_cell_length_c 4.84000000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_TiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84000000
_cell_length_b 4.84000000
_cell_length_c 4.84000000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiO2
_chemical_formula_sum ... |
# generated using pymatgen
data_TiO2
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 4.84000000
_cell_length_b 4.84000000
_cell_length_c 4.84000000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_TiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84000000
_cell_length_b 4.84000000
_cell_length_c 4.84000000
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural TiO2
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti3N4
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 4.16085000
_cell_length_b 4.16085000
_cell_length_c 8.40939400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_Ti3N4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16085000
_cell_length_b 4.16085000
_cell_length_c 8.40939400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti3N4
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti3N4
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 4.16085000
_cell_length_b 4.16085000
_cell_length_c 8.40939400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_Ti3N4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16085000
_cell_length_b 4.16085000
_cell_length_c 8.40939400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti3N4
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti3N4
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 4.16085000
_cell_length_b 4.16085000
_cell_length_c 8.40939400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_Ti3N4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16085000
_cell_length_b 4.16085000
_cell_length_c 8.40939400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti3N4
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti3N4
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 4.16085000
_cell_length_b 4.16085000
_cell_length_c 8.40939400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_Ti3N4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16085000
_cell_length_b 4.16085000
_cell_length_c 8.40939400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti3N4
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti3N4
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 4.16085000
_cell_length_b 4.16085000
_cell_length_c 8.40939400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_Ti3N4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.16085000
_cell_length_b 4.16085000
_cell_length_c 8.40939400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti3N4
_chemical_formula_sum ... |
# generated using pymatgen
data_MgH3
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 4.70518400
_cell_length_b 4.70518400
_cell_length_c 4.70518400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_MgH3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70518400
_cell_length_b 4.70518400
_cell_length_c 4.70518400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgH3
_chemical_formula_sum ... |
# generated using pymatgen
data_MgH3
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 4.70518400
_cell_length_b 4.70518400
_cell_length_c 4.70518400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_MgH3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70518400
_cell_length_b 4.70518400
_cell_length_c 4.70518400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgH3
_chemical_formula_sum ... |
# generated using pymatgen
data_MgH3
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 4.70518400
_cell_length_b 4.70518400
_cell_length_c 4.70518400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_MgH3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70518400
_cell_length_b 4.70518400
_cell_length_c 4.70518400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgH3
_chemical_formula_sum ... |
# generated using pymatgen
data_MgH3
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 4.70518400
_cell_length_b 4.70518400
_cell_length_c 4.70518400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_MgH3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70518400
_cell_length_b 4.70518400
_cell_length_c 4.70518400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgH3
_chemical_formula_sum ... |
# generated using pymatgen
data_MgH3
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 4.70518400
_cell_length_b 4.70518400
_cell_length_c 4.70518400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_MgH3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.70518400
_cell_length_b 4.70518400
_cell_length_c 4.70518400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgH3
_chemical_formula_sum ... |
# generated using pymatgen
data_GaAs3
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 6.71260400
_cell_length_b 6.71260400
_cell_length_c 6.71260400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_GaAs3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71260400
_cell_length_b 6.71260400
_cell_length_c 6.71260400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaAs3
_chemical_formula_sum ... |
# generated using pymatgen
data_GaAs3
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 6.71260400
_cell_length_b 6.71260400
_cell_length_c 6.71260400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_GaAs3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71260400
_cell_length_b 6.71260400
_cell_length_c 6.71260400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaAs3
_chemical_formula_sum ... |
# generated using pymatgen
data_GaAs3
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 6.71260400
_cell_length_b 6.71260400
_cell_length_c 6.71260400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_GaAs3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71260400
_cell_length_b 6.71260400
_cell_length_c 6.71260400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaAs3
_chemical_formula_sum ... |
# generated using pymatgen
data_GaAs3
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 6.71260400
_cell_length_b 6.71260400
_cell_length_c 6.71260400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_GaAs3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71260400
_cell_length_b 6.71260400
_cell_length_c 6.71260400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaAs3
_chemical_formula_sum ... |
# generated using pymatgen
data_GaAs3
_symmetry_space_group_name_H-M Fm-3m
_cell_length_a 6.71260400
_cell_length_b 6.71260400
_cell_length_c 6.71260400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 225
_chemical_formula_structural ... | data_GaAs3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.71260400
_cell_length_b 6.71260400
_cell_length_c 6.71260400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural GaAs3
_chemical_formula_sum ... |
# generated using pymatgen
data_MoS3
_symmetry_space_group_name_H-M P2_1/m
_cell_length_a 6.10693000
_cell_length_b 4.42516900
_cell_length_c 8.06268438
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.10200057
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 11
_chemical_formula_structural ... | data_MoS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10693000
_cell_length_b 4.42516900
_cell_length_c 8.06268438
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.10200057
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MoS3
_chemical_formula_sum ... |
# generated using pymatgen
data_MoS3
_symmetry_space_group_name_H-M P2_1/m
_cell_length_a 6.10693000
_cell_length_b 4.42516900
_cell_length_c 8.06268438
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.10200057
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 11
_chemical_formula_structural ... | data_MoS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10693000
_cell_length_b 4.42516900
_cell_length_c 8.06268438
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.10200057
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MoS3
_chemical_formula_sum ... |
# generated using pymatgen
data_MoS3
_symmetry_space_group_name_H-M P2_1/m
_cell_length_a 6.10693000
_cell_length_b 4.42516900
_cell_length_c 8.06268438
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.10200057
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 11
_chemical_formula_structural ... | data_MoS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10693000
_cell_length_b 4.42516900
_cell_length_c 8.06268438
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.10200057
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MoS3
_chemical_formula_sum ... |
# generated using pymatgen
data_MoS3
_symmetry_space_group_name_H-M P2_1/m
_cell_length_a 6.10693000
_cell_length_b 4.42516900
_cell_length_c 8.06268438
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.10200057
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 11
_chemical_formula_structural ... | data_MoS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10693000
_cell_length_b 4.42516900
_cell_length_c 8.06268438
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.10200057
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MoS3
_chemical_formula_sum ... |
# generated using pymatgen
data_MoS3
_symmetry_space_group_name_H-M P2_1/m
_cell_length_a 6.10693000
_cell_length_b 4.42516900
_cell_length_c 8.06268438
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.10200057
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 11
_chemical_formula_structural ... | data_MoS3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.10693000
_cell_length_b 4.42516900
_cell_length_c 8.06268438
_cell_angle_alpha 90.00000000
_cell_angle_beta 106.10200057
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural MoS3
_chemical_formula_sum ... |
# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M P6_3/mmc
_cell_length_a 5.00911567
_cell_length_b 5.00911567
_cell_length_c 4.04025638
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 194
_chemical_formula_structur... | data_AlNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00911567
_cell_length_b 5.00911567
_cell_length_c 4.04025638
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlNi3
_chemical_formula_sum... |
# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M P6_3/mmc
_cell_length_a 5.00911567
_cell_length_b 5.00911567
_cell_length_c 4.04025638
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 194
_chemical_formula_structur... | data_AlNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00911567
_cell_length_b 5.00911567
_cell_length_c 4.04025638
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlNi3
_chemical_formula_sum... |
# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M P6_3/mmc
_cell_length_a 5.00911567
_cell_length_b 5.00911567
_cell_length_c 4.04025638
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 194
_chemical_formula_structur... | data_AlNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00911567
_cell_length_b 5.00911567
_cell_length_c 4.04025638
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlNi3
_chemical_formula_sum... |
# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M P6_3/mmc
_cell_length_a 5.00911567
_cell_length_b 5.00911567
_cell_length_c 4.04025638
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 194
_chemical_formula_structur... | data_AlNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00911567
_cell_length_b 5.00911567
_cell_length_c 4.04025638
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlNi3
_chemical_formula_sum... |
# generated using pymatgen
data_AlNi3
_symmetry_space_group_name_H-M P6_3/mmc
_cell_length_a 5.00911567
_cell_length_b 5.00911567
_cell_length_c 4.04025638
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 194
_chemical_formula_structur... | data_AlNi3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.00911567
_cell_length_b 5.00911567
_cell_length_c 4.04025638
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural AlNi3
_chemical_formula_sum... |
# generated using pymatgen
data_ZnO
_symmetry_space_group_name_H-M P4_2/mnm
_cell_length_a 5.51757007
_cell_length_b 5.51757007
_cell_length_c 3.25877877
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 136
_chemical_formula_structural ... | data_ZnO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51757007
_cell_length_b 5.51757007
_cell_length_c 3.25877877
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnO
_chemical_formula_sum 'Z... |
# generated using pymatgen
data_ZnO
_symmetry_space_group_name_H-M P4_2/mnm
_cell_length_a 5.51757007
_cell_length_b 5.51757007
_cell_length_c 3.25877877
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 136
_chemical_formula_structural ... | data_ZnO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51757007
_cell_length_b 5.51757007
_cell_length_c 3.25877877
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnO
_chemical_formula_sum 'Z... |
# generated using pymatgen
data_ZnO
_symmetry_space_group_name_H-M P4_2/mnm
_cell_length_a 5.51757007
_cell_length_b 5.51757007
_cell_length_c 3.25877877
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 136
_chemical_formula_structural ... | data_ZnO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51757007
_cell_length_b 5.51757007
_cell_length_c 3.25877877
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnO
_chemical_formula_sum 'Z... |
# generated using pymatgen
data_ZnO
_symmetry_space_group_name_H-M P4_2/mnm
_cell_length_a 5.51757007
_cell_length_b 5.51757007
_cell_length_c 3.25877877
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 136
_chemical_formula_structural ... | data_ZnO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51757007
_cell_length_b 5.51757007
_cell_length_c 3.25877877
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnO
_chemical_formula_sum 'Z... |
# generated using pymatgen
data_ZnO
_symmetry_space_group_name_H-M P4_2/mnm
_cell_length_a 5.51757007
_cell_length_b 5.51757007
_cell_length_c 3.25877877
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 136
_chemical_formula_structural ... | data_ZnO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.51757007
_cell_length_b 5.51757007
_cell_length_c 3.25877877
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnO
_chemical_formula_sum 'Z... |
# generated using pymatgen
data_FeS
_symmetry_space_group_name_H-M P6_3mc
_cell_length_a 6.73225824
_cell_length_b 6.73225824
_cell_length_c 5.36706500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 186
_chemical_formula_structural ... | data_FeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73225824
_cell_length_b 6.73225824
_cell_length_c 5.36706500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeS
_chemical_formula_sum '... |
# generated using pymatgen
data_FeS
_symmetry_space_group_name_H-M P6_3mc
_cell_length_a 6.73225824
_cell_length_b 6.73225824
_cell_length_c 5.36706500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 186
_chemical_formula_structural ... | data_FeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73225824
_cell_length_b 6.73225824
_cell_length_c 5.36706500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeS
_chemical_formula_sum '... |
# generated using pymatgen
data_FeS
_symmetry_space_group_name_H-M P6_3mc
_cell_length_a 6.73225824
_cell_length_b 6.73225824
_cell_length_c 5.36706500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 186
_chemical_formula_structural ... | data_FeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73225824
_cell_length_b 6.73225824
_cell_length_c 5.36706500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeS
_chemical_formula_sum '... |
# generated using pymatgen
data_FeS
_symmetry_space_group_name_H-M P6_3mc
_cell_length_a 6.73225824
_cell_length_b 6.73225824
_cell_length_c 5.36706500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 186
_chemical_formula_structural ... | data_FeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73225824
_cell_length_b 6.73225824
_cell_length_c 5.36706500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeS
_chemical_formula_sum '... |
# generated using pymatgen
data_FeS
_symmetry_space_group_name_H-M P6_3mc
_cell_length_a 6.73225824
_cell_length_b 6.73225824
_cell_length_c 5.36706500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 186
_chemical_formula_structural ... | data_FeS
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73225824
_cell_length_b 6.73225824
_cell_length_c 5.36706500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeS
_chemical_formula_sum '... |
# generated using pymatgen
data_Ti3N
_symmetry_space_group_name_H-M Pm-3m
_cell_length_a 3.69690600
_cell_length_b 3.69690600
_cell_length_c 3.69690600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 221
_chemical_formula_structural ... | data_Ti3N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69690600
_cell_length_b 3.69690600
_cell_length_c 3.69690600
_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 Pm-3m
_cell_length_a 3.69690600
_cell_length_b 3.69690600
_cell_length_c 3.69690600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 221
_chemical_formula_structural ... | data_Ti3N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69690600
_cell_length_b 3.69690600
_cell_length_c 3.69690600
_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 Pm-3m
_cell_length_a 3.69690600
_cell_length_b 3.69690600
_cell_length_c 3.69690600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 221
_chemical_formula_structural ... | data_Ti3N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69690600
_cell_length_b 3.69690600
_cell_length_c 3.69690600
_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 Pm-3m
_cell_length_a 3.69690600
_cell_length_b 3.69690600
_cell_length_c 3.69690600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 221
_chemical_formula_structural ... | data_Ti3N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69690600
_cell_length_b 3.69690600
_cell_length_c 3.69690600
_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 Pm-3m
_cell_length_a 3.69690600
_cell_length_b 3.69690600
_cell_length_c 3.69690600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 221
_chemical_formula_structural ... | data_Ti3N
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.69690600
_cell_length_b 3.69690600
_cell_length_c 3.69690600
_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 ... |
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