ground_truth stringclasses 273
values | perturbed stringlengths 728 1.97k |
|---|---|
# generated using pymatgen
data_SiC
_symmetry_space_group_name_H-M P3m1
_cell_length_a 3.07652582
_cell_length_b 3.07652582
_cell_length_c 12.58369976
_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 3.07652582
_cell_length_b 3.07652582
_cell_length_c 12.58369976
_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 3.07652582
_cell_length_b 3.07652582
_cell_length_c 12.58369976
_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 3.07652582
_cell_length_b 3.07652582
_cell_length_c 12.58369976
_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 3.07652582
_cell_length_b 3.07652582
_cell_length_c 12.58369976
_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 3.07652582
_cell_length_b 3.07652582
_cell_length_c 12.58369976
_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 3.07652582
_cell_length_b 3.07652582
_cell_length_c 12.58369976
_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 3.07652582
_cell_length_b 3.07652582
_cell_length_c 12.58369976
_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 3.07652582
_cell_length_b 3.07652582
_cell_length_c 12.58369976
_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 3.07652582
_cell_length_b 3.07652582
_cell_length_c 12.58369976
_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_Ti2O
_symmetry_space_group_name_H-M P2/m
_cell_length_a 4.64955075
_cell_length_b 2.93771327
_cell_length_c 8.20313404
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.98889764
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 10
_chemical_formula_structural Ti... | data_Ti2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64955075
_cell_length_b 2.93771327
_cell_length_c 8.20313404
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.98889764
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2O
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti2O
_symmetry_space_group_name_H-M P2/m
_cell_length_a 4.64955075
_cell_length_b 2.93771327
_cell_length_c 8.20313404
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.98889764
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 10
_chemical_formula_structural Ti... | data_Ti2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64955075
_cell_length_b 2.93771327
_cell_length_c 8.20313404
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.98889764
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2O
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti2O
_symmetry_space_group_name_H-M P2/m
_cell_length_a 4.64955075
_cell_length_b 2.93771327
_cell_length_c 8.20313404
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.98889764
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 10
_chemical_formula_structural Ti... | data_Ti2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64955075
_cell_length_b 2.93771327
_cell_length_c 8.20313404
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.98889764
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2O
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti2O
_symmetry_space_group_name_H-M P2/m
_cell_length_a 4.64955075
_cell_length_b 2.93771327
_cell_length_c 8.20313404
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.98889764
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 10
_chemical_formula_structural Ti... | data_Ti2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64955075
_cell_length_b 2.93771327
_cell_length_c 8.20313404
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.98889764
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2O
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti2O
_symmetry_space_group_name_H-M P2/m
_cell_length_a 4.64955075
_cell_length_b 2.93771327
_cell_length_c 8.20313404
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.98889764
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 10
_chemical_formula_structural Ti... | data_Ti2O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.64955075
_cell_length_b 2.93771327
_cell_length_c 8.20313404
_cell_angle_alpha 90.00000000
_cell_angle_beta 91.98889764
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2O
_chemical_formula_sum ... |
# generated using pymatgen
data_CaH2
_symmetry_space_group_name_H-M Pnma
_cell_length_a 5.36071200
_cell_length_b 3.78750200
_cell_length_c 6.68301900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural Ca... | data_CaH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36071200
_cell_length_b 3.78750200
_cell_length_c 6.68301900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaH2
_chemical_formula_sum ... |
# generated using pymatgen
data_CaH2
_symmetry_space_group_name_H-M Pnma
_cell_length_a 5.36071200
_cell_length_b 3.78750200
_cell_length_c 6.68301900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural Ca... | data_CaH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36071200
_cell_length_b 3.78750200
_cell_length_c 6.68301900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaH2
_chemical_formula_sum ... |
# generated using pymatgen
data_CaH2
_symmetry_space_group_name_H-M Pnma
_cell_length_a 5.36071200
_cell_length_b 3.78750200
_cell_length_c 6.68301900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural Ca... | data_CaH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36071200
_cell_length_b 3.78750200
_cell_length_c 6.68301900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaH2
_chemical_formula_sum ... |
# generated using pymatgen
data_CaH2
_symmetry_space_group_name_H-M Pnma
_cell_length_a 5.36071200
_cell_length_b 3.78750200
_cell_length_c 6.68301900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural Ca... | data_CaH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36071200
_cell_length_b 3.78750200
_cell_length_c 6.68301900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaH2
_chemical_formula_sum ... |
# generated using pymatgen
data_CaH2
_symmetry_space_group_name_H-M Pnma
_cell_length_a 5.36071200
_cell_length_b 3.78750200
_cell_length_c 6.68301900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural Ca... | data_CaH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.36071200
_cell_length_b 3.78750200
_cell_length_c 6.68301900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaH2
_chemical_formula_sum ... |
# generated using pymatgen
data_FeS2
_symmetry_space_group_name_H-M Pcca
_cell_length_a 5.76743500
_cell_length_b 6.51549300
_cell_length_c 5.68831900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 54
_chemical_formula_structural Fe... | data_FeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76743500
_cell_length_b 6.51549300
_cell_length_c 5.68831900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeS2
_chemical_formula_sum ... |
# generated using pymatgen
data_FeS2
_symmetry_space_group_name_H-M Pcca
_cell_length_a 5.76743500
_cell_length_b 6.51549300
_cell_length_c 5.68831900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 54
_chemical_formula_structural Fe... | data_FeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76743500
_cell_length_b 6.51549300
_cell_length_c 5.68831900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeS2
_chemical_formula_sum ... |
# generated using pymatgen
data_FeS2
_symmetry_space_group_name_H-M Pcca
_cell_length_a 5.76743500
_cell_length_b 6.51549300
_cell_length_c 5.68831900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 54
_chemical_formula_structural Fe... | data_FeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76743500
_cell_length_b 6.51549300
_cell_length_c 5.68831900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeS2
_chemical_formula_sum ... |
# generated using pymatgen
data_FeS2
_symmetry_space_group_name_H-M Pcca
_cell_length_a 5.76743500
_cell_length_b 6.51549300
_cell_length_c 5.68831900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 54
_chemical_formula_structural Fe... | data_FeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76743500
_cell_length_b 6.51549300
_cell_length_c 5.68831900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeS2
_chemical_formula_sum ... |
# generated using pymatgen
data_FeS2
_symmetry_space_group_name_H-M Pcca
_cell_length_a 5.76743500
_cell_length_b 6.51549300
_cell_length_c 5.68831900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 54
_chemical_formula_structural Fe... | data_FeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.76743500
_cell_length_b 6.51549300
_cell_length_c 5.68831900
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeS2
_chemical_formula_sum ... |
# generated using pymatgen
data_CaF3
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 3.79881400
_cell_length_b 3.79881400
_cell_length_c 6.44536600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_CaF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79881400
_cell_length_b 3.79881400
_cell_length_c 6.44536600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaF3
_chemical_formula_sum ... |
# generated using pymatgen
data_CaF3
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 3.79881400
_cell_length_b 3.79881400
_cell_length_c 6.44536600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_CaF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79881400
_cell_length_b 3.79881400
_cell_length_c 6.44536600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaF3
_chemical_formula_sum ... |
# generated using pymatgen
data_CaF3
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 3.79881400
_cell_length_b 3.79881400
_cell_length_c 6.44536600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_CaF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79881400
_cell_length_b 3.79881400
_cell_length_c 6.44536600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaF3
_chemical_formula_sum ... |
# generated using pymatgen
data_CaF3
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 3.79881400
_cell_length_b 3.79881400
_cell_length_c 6.44536600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_CaF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79881400
_cell_length_b 3.79881400
_cell_length_c 6.44536600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaF3
_chemical_formula_sum ... |
# generated using pymatgen
data_CaF3
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 3.79881400
_cell_length_b 3.79881400
_cell_length_c 6.44536600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_CaF3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.79881400
_cell_length_b 3.79881400
_cell_length_c 6.44536600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaF3
_chemical_formula_sum ... |
# generated using pymatgen
data_CaH2
_symmetry_space_group_name_H-M Pnma
_cell_length_a 5.89884487
_cell_length_b 3.56828652
_cell_length_c 6.77455253
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural Ca... | data_CaH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89884487
_cell_length_b 3.56828652
_cell_length_c 6.77455253
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaH2
_chemical_formula_sum ... |
# generated using pymatgen
data_CaH2
_symmetry_space_group_name_H-M Pnma
_cell_length_a 5.89884487
_cell_length_b 3.56828652
_cell_length_c 6.77455253
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural Ca... | data_CaH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89884487
_cell_length_b 3.56828652
_cell_length_c 6.77455253
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaH2
_chemical_formula_sum ... |
# generated using pymatgen
data_CaH2
_symmetry_space_group_name_H-M Pnma
_cell_length_a 5.89884487
_cell_length_b 3.56828652
_cell_length_c 6.77455253
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural Ca... | data_CaH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89884487
_cell_length_b 3.56828652
_cell_length_c 6.77455253
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaH2
_chemical_formula_sum ... |
# generated using pymatgen
data_CaH2
_symmetry_space_group_name_H-M Pnma
_cell_length_a 5.89884487
_cell_length_b 3.56828652
_cell_length_c 6.77455253
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural Ca... | data_CaH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89884487
_cell_length_b 3.56828652
_cell_length_c 6.77455253
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaH2
_chemical_formula_sum ... |
# generated using pymatgen
data_CaH2
_symmetry_space_group_name_H-M Pnma
_cell_length_a 5.89884487
_cell_length_b 3.56828652
_cell_length_c 6.77455253
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural Ca... | data_CaH2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.89884487
_cell_length_b 3.56828652
_cell_length_c 6.77455253
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaH2
_chemical_formula_sum ... |
# generated using pymatgen
data_PbI2
_symmetry_space_group_name_H-M R-3m
_cell_length_a 4.62659538
_cell_length_b 4.62659538
_cell_length_c 22.04357415
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 166
_chemical_formula_structural ... | data_PbI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62659538
_cell_length_b 4.62659538
_cell_length_c 22.04357415
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PbI2
_chemical_formula_sum ... |
# generated using pymatgen
data_PbI2
_symmetry_space_group_name_H-M R-3m
_cell_length_a 4.62659538
_cell_length_b 4.62659538
_cell_length_c 22.04357415
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 166
_chemical_formula_structural ... | data_PbI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62659538
_cell_length_b 4.62659538
_cell_length_c 22.04357415
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PbI2
_chemical_formula_sum ... |
# generated using pymatgen
data_PbI2
_symmetry_space_group_name_H-M R-3m
_cell_length_a 4.62659538
_cell_length_b 4.62659538
_cell_length_c 22.04357415
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 166
_chemical_formula_structural ... | data_PbI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62659538
_cell_length_b 4.62659538
_cell_length_c 22.04357415
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PbI2
_chemical_formula_sum ... |
# generated using pymatgen
data_PbI2
_symmetry_space_group_name_H-M R-3m
_cell_length_a 4.62659538
_cell_length_b 4.62659538
_cell_length_c 22.04357415
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 166
_chemical_formula_structural ... | data_PbI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62659538
_cell_length_b 4.62659538
_cell_length_c 22.04357415
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PbI2
_chemical_formula_sum ... |
# generated using pymatgen
data_PbI2
_symmetry_space_group_name_H-M R-3m
_cell_length_a 4.62659538
_cell_length_b 4.62659538
_cell_length_c 22.04357415
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 166
_chemical_formula_structural ... | data_PbI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62659538
_cell_length_b 4.62659538
_cell_length_c 22.04357415
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PbI2
_chemical_formula_sum ... |
# generated using pymatgen
data_ZnO2
_symmetry_space_group_name_H-M P-3m1
_cell_length_a 3.13476687
_cell_length_b 3.13476687
_cell_length_c 4.04862700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 164
_chemical_formula_structural ... | data_ZnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.13476687
_cell_length_b 3.13476687
_cell_length_c 4.04862700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnO2
_chemical_formula_sum ... |
# generated using pymatgen
data_ZnO2
_symmetry_space_group_name_H-M P-3m1
_cell_length_a 3.13476687
_cell_length_b 3.13476687
_cell_length_c 4.04862700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 164
_chemical_formula_structural ... | data_ZnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.13476687
_cell_length_b 3.13476687
_cell_length_c 4.04862700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnO2
_chemical_formula_sum ... |
# generated using pymatgen
data_ZnO2
_symmetry_space_group_name_H-M P-3m1
_cell_length_a 3.13476687
_cell_length_b 3.13476687
_cell_length_c 4.04862700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 164
_chemical_formula_structural ... | data_ZnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.13476687
_cell_length_b 3.13476687
_cell_length_c 4.04862700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnO2
_chemical_formula_sum ... |
# generated using pymatgen
data_ZnO2
_symmetry_space_group_name_H-M P-3m1
_cell_length_a 3.13476687
_cell_length_b 3.13476687
_cell_length_c 4.04862700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 164
_chemical_formula_structural ... | data_ZnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.13476687
_cell_length_b 3.13476687
_cell_length_c 4.04862700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnO2
_chemical_formula_sum ... |
# generated using pymatgen
data_ZnO2
_symmetry_space_group_name_H-M P-3m1
_cell_length_a 3.13476687
_cell_length_b 3.13476687
_cell_length_c 4.04862700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 164
_chemical_formula_structural ... | data_ZnO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.13476687
_cell_length_b 3.13476687
_cell_length_c 4.04862700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural ZnO2
_chemical_formula_sum ... |
# generated using pymatgen
data_FeS2
_symmetry_space_group_name_H-M P2/c
_cell_length_a 6.41914264
_cell_length_b 5.67364300
_cell_length_c 5.75574000
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.17737611
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 13
_chemical_formula_structural Fe... | data_FeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41914264
_cell_length_b 5.67364300
_cell_length_c 5.75574000
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.17737611
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeS2
_chemical_formula_sum ... |
# generated using pymatgen
data_FeS2
_symmetry_space_group_name_H-M P2/c
_cell_length_a 6.41914264
_cell_length_b 5.67364300
_cell_length_c 5.75574000
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.17737611
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 13
_chemical_formula_structural Fe... | data_FeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41914264
_cell_length_b 5.67364300
_cell_length_c 5.75574000
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.17737611
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeS2
_chemical_formula_sum ... |
# generated using pymatgen
data_FeS2
_symmetry_space_group_name_H-M P2/c
_cell_length_a 6.41914264
_cell_length_b 5.67364300
_cell_length_c 5.75574000
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.17737611
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 13
_chemical_formula_structural Fe... | data_FeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41914264
_cell_length_b 5.67364300
_cell_length_c 5.75574000
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.17737611
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeS2
_chemical_formula_sum ... |
# generated using pymatgen
data_FeS2
_symmetry_space_group_name_H-M P2/c
_cell_length_a 6.41914264
_cell_length_b 5.67364300
_cell_length_c 5.75574000
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.17737611
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 13
_chemical_formula_structural Fe... | data_FeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41914264
_cell_length_b 5.67364300
_cell_length_c 5.75574000
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.17737611
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeS2
_chemical_formula_sum ... |
# generated using pymatgen
data_FeS2
_symmetry_space_group_name_H-M P2/c
_cell_length_a 6.41914264
_cell_length_b 5.67364300
_cell_length_c 5.75574000
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.17737611
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 13
_chemical_formula_structural Fe... | data_FeS2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.41914264
_cell_length_b 5.67364300
_cell_length_c 5.75574000
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.17737611
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeS2
_chemical_formula_sum ... |
# generated using pymatgen
data_PbI2
_symmetry_space_group_name_H-M P3m1
_cell_length_a 4.62768721
_cell_length_b 4.62768721
_cell_length_c 36.67312773
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 156
_chemical_formula_structural ... | data_PbI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62768721
_cell_length_b 4.62768721
_cell_length_c 36.67312773
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PbI2
_chemical_formula_sum ... |
# generated using pymatgen
data_PbI2
_symmetry_space_group_name_H-M P3m1
_cell_length_a 4.62768721
_cell_length_b 4.62768721
_cell_length_c 36.67312773
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 156
_chemical_formula_structural ... | data_PbI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62768721
_cell_length_b 4.62768721
_cell_length_c 36.67312773
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PbI2
_chemical_formula_sum ... |
# generated using pymatgen
data_PbI2
_symmetry_space_group_name_H-M P3m1
_cell_length_a 4.62768721
_cell_length_b 4.62768721
_cell_length_c 36.67312773
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 156
_chemical_formula_structural ... | data_PbI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62768721
_cell_length_b 4.62768721
_cell_length_c 36.67312773
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PbI2
_chemical_formula_sum ... |
# generated using pymatgen
data_PbI2
_symmetry_space_group_name_H-M P3m1
_cell_length_a 4.62768721
_cell_length_b 4.62768721
_cell_length_c 36.67312773
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 156
_chemical_formula_structural ... | data_PbI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62768721
_cell_length_b 4.62768721
_cell_length_c 36.67312773
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PbI2
_chemical_formula_sum ... |
# generated using pymatgen
data_PbI2
_symmetry_space_group_name_H-M P3m1
_cell_length_a 4.62768721
_cell_length_b 4.62768721
_cell_length_c 36.67312773
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 156
_chemical_formula_structural ... | data_PbI2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.62768721
_cell_length_b 4.62768721
_cell_length_c 36.67312773
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural PbI2
_chemical_formula_sum ... |
# generated using pymatgen
data_Fe3S4
_symmetry_space_group_name_H-M R-3m
_cell_length_a 3.32450602
_cell_length_b 3.32450602
_cell_length_c 33.72152757
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 166
_chemical_formula_structural ... | data_Fe3S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32450602
_cell_length_b 3.32450602
_cell_length_c 33.72152757
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe3S4
_chemical_formula_su... |
# generated using pymatgen
data_Fe3S4
_symmetry_space_group_name_H-M R-3m
_cell_length_a 3.32450602
_cell_length_b 3.32450602
_cell_length_c 33.72152757
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 166
_chemical_formula_structural ... | data_Fe3S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32450602
_cell_length_b 3.32450602
_cell_length_c 33.72152757
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe3S4
_chemical_formula_su... |
# generated using pymatgen
data_Fe3S4
_symmetry_space_group_name_H-M R-3m
_cell_length_a 3.32450602
_cell_length_b 3.32450602
_cell_length_c 33.72152757
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 166
_chemical_formula_structural ... | data_Fe3S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32450602
_cell_length_b 3.32450602
_cell_length_c 33.72152757
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe3S4
_chemical_formula_su... |
# generated using pymatgen
data_Fe3S4
_symmetry_space_group_name_H-M R-3m
_cell_length_a 3.32450602
_cell_length_b 3.32450602
_cell_length_c 33.72152757
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 166
_chemical_formula_structural ... | data_Fe3S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32450602
_cell_length_b 3.32450602
_cell_length_c 33.72152757
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe3S4
_chemical_formula_su... |
# generated using pymatgen
data_Fe3S4
_symmetry_space_group_name_H-M R-3m
_cell_length_a 3.32450602
_cell_length_b 3.32450602
_cell_length_c 33.72152757
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 166
_chemical_formula_structural ... | data_Fe3S4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.32450602
_cell_length_b 3.32450602
_cell_length_c 33.72152757
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Fe3S4
_chemical_formula_su... |
# generated using pymatgen
data_TiO2
_symmetry_space_group_name_H-M Pbca
_cell_length_a 4.84383200
_cell_length_b 9.44241000
_cell_length_c 4.99585600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 61
_chemical_formula_structural Ti... | data_TiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84383200
_cell_length_b 9.44241000
_cell_length_c 4.99585600
_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 Pbca
_cell_length_a 4.84383200
_cell_length_b 9.44241000
_cell_length_c 4.99585600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 61
_chemical_formula_structural Ti... | data_TiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84383200
_cell_length_b 9.44241000
_cell_length_c 4.99585600
_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 Pbca
_cell_length_a 4.84383200
_cell_length_b 9.44241000
_cell_length_c 4.99585600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 61
_chemical_formula_structural Ti... | data_TiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84383200
_cell_length_b 9.44241000
_cell_length_c 4.99585600
_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 Pbca
_cell_length_a 4.84383200
_cell_length_b 9.44241000
_cell_length_c 4.99585600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 61
_chemical_formula_structural Ti... | data_TiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84383200
_cell_length_b 9.44241000
_cell_length_c 4.99585600
_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 Pbca
_cell_length_a 4.84383200
_cell_length_b 9.44241000
_cell_length_c 4.99585600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 61
_chemical_formula_structural Ti... | data_TiO2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.84383200
_cell_length_b 9.44241000
_cell_length_c 4.99585600
_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_CaF2
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 3.74957300
_cell_length_b 3.74957300
_cell_length_c 3.02289400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structural ... | data_CaF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74957300
_cell_length_b 3.74957300
_cell_length_c 3.02289400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaF2
_chemical_formula_sum ... |
# generated using pymatgen
data_CaF2
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 3.74957300
_cell_length_b 3.74957300
_cell_length_c 3.02289400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structural ... | data_CaF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74957300
_cell_length_b 3.74957300
_cell_length_c 3.02289400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaF2
_chemical_formula_sum ... |
# generated using pymatgen
data_CaF2
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 3.74957300
_cell_length_b 3.74957300
_cell_length_c 3.02289400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structural ... | data_CaF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74957300
_cell_length_b 3.74957300
_cell_length_c 3.02289400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaF2
_chemical_formula_sum ... |
# generated using pymatgen
data_CaF2
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 3.74957300
_cell_length_b 3.74957300
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_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structural ... | data_CaF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74957300
_cell_length_b 3.74957300
_cell_length_c 3.02289400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaF2
_chemical_formula_sum ... |
# generated using pymatgen
data_CaF2
_symmetry_space_group_name_H-M P4/mmm
_cell_length_a 3.74957300
_cell_length_b 3.74957300
_cell_length_c 3.02289400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 123
_chemical_formula_structural ... | data_CaF2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.74957300
_cell_length_b 3.74957300
_cell_length_c 3.02289400
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural CaF2
_chemical_formula_sum ... |
# generated using pymatgen
data_TiAl3
_symmetry_space_group_name_H-M Pmm2
_cell_length_a 2.83967700
_cell_length_b 4.68126400
_cell_length_c 4.90074200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 25
_chemical_formula_structural T... | data_TiAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.83967700
_cell_length_b 4.68126400
_cell_length_c 4.90074200
_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 Pmm2
_cell_length_a 2.83967700
_cell_length_b 4.68126400
_cell_length_c 4.90074200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 25
_chemical_formula_structural T... | data_TiAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.83967700
_cell_length_b 4.68126400
_cell_length_c 4.90074200
_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 Pmm2
_cell_length_a 2.83967700
_cell_length_b 4.68126400
_cell_length_c 4.90074200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 25
_chemical_formula_structural T... | data_TiAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.83967700
_cell_length_b 4.68126400
_cell_length_c 4.90074200
_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 Pmm2
_cell_length_a 2.83967700
_cell_length_b 4.68126400
_cell_length_c 4.90074200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 25
_chemical_formula_structural T... | data_TiAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.83967700
_cell_length_b 4.68126400
_cell_length_c 4.90074200
_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 Pmm2
_cell_length_a 2.83967700
_cell_length_b 4.68126400
_cell_length_c 4.90074200
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 25
_chemical_formula_structural T... | data_TiAl3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 2.83967700
_cell_length_b 4.68126400
_cell_length_c 4.90074200
_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_Ti4O3
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 4.26897296
_cell_length_b 4.26897296
_cell_length_c 8.21216628
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_Ti4O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26897296
_cell_length_b 4.26897296
_cell_length_c 8.21216628
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti4O3
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti4O3
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 4.26897296
_cell_length_b 4.26897296
_cell_length_c 8.21216628
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_Ti4O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26897296
_cell_length_b 4.26897296
_cell_length_c 8.21216628
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti4O3
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti4O3
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 4.26897296
_cell_length_b 4.26897296
_cell_length_c 8.21216628
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_Ti4O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26897296
_cell_length_b 4.26897296
_cell_length_c 8.21216628
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti4O3
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti4O3
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 4.26897296
_cell_length_b 4.26897296
_cell_length_c 8.21216628
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_Ti4O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26897296
_cell_length_b 4.26897296
_cell_length_c 8.21216628
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti4O3
_chemical_formula_sum ... |
# generated using pymatgen
data_Ti4O3
_symmetry_space_group_name_H-M I4/mmm
_cell_length_a 4.26897296
_cell_length_b 4.26897296
_cell_length_c 8.21216628
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 139
_chemical_formula_structural ... | data_Ti4O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.26897296
_cell_length_b 4.26897296
_cell_length_c 8.21216628
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti4O3
_chemical_formula_sum ... |
# generated using pymatgen
data_Na2Cl
_symmetry_space_group_name_H-M Cmmm
_cell_length_a 6.43158600
_cell_length_b 13.26373200
_cell_length_c 4.02737700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 65
_chemical_formula_structural ... | data_Na2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43158600
_cell_length_b 13.26373200
_cell_length_c 4.02737700
_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 Cmmm
_cell_length_a 6.43158600
_cell_length_b 13.26373200
_cell_length_c 4.02737700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 65
_chemical_formula_structural ... | data_Na2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43158600
_cell_length_b 13.26373200
_cell_length_c 4.02737700
_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 Cmmm
_cell_length_a 6.43158600
_cell_length_b 13.26373200
_cell_length_c 4.02737700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 65
_chemical_formula_structural ... | data_Na2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43158600
_cell_length_b 13.26373200
_cell_length_c 4.02737700
_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 Cmmm
_cell_length_a 6.43158600
_cell_length_b 13.26373200
_cell_length_c 4.02737700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 65
_chemical_formula_structural ... | data_Na2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43158600
_cell_length_b 13.26373200
_cell_length_c 4.02737700
_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 Cmmm
_cell_length_a 6.43158600
_cell_length_b 13.26373200
_cell_length_c 4.02737700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 65
_chemical_formula_structural ... | data_Na2Cl
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.43158600
_cell_length_b 13.26373200
_cell_length_c 4.02737700
_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_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_Mo2S3
_symmetry_space_group_name_H-M P2_1/m
_cell_length_a 6.17036400
_cell_length_b 3.20985700
_cell_length_c 8.70627230
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.95757357
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 11
_chemical_formula_structural ... | data_Mo2S3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17036400
_cell_length_b 3.20985700
_cell_length_c 8.70627230
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.95757357
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mo2S3
_chemical_formula_sum... |
# generated using pymatgen
data_Mo2S3
_symmetry_space_group_name_H-M P2_1/m
_cell_length_a 6.17036400
_cell_length_b 3.20985700
_cell_length_c 8.70627230
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.95757357
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 11
_chemical_formula_structural ... | data_Mo2S3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17036400
_cell_length_b 3.20985700
_cell_length_c 8.70627230
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.95757357
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mo2S3
_chemical_formula_sum... |
# generated using pymatgen
data_Mo2S3
_symmetry_space_group_name_H-M P2_1/m
_cell_length_a 6.17036400
_cell_length_b 3.20985700
_cell_length_c 8.70627230
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.95757357
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 11
_chemical_formula_structural ... | data_Mo2S3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17036400
_cell_length_b 3.20985700
_cell_length_c 8.70627230
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.95757357
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mo2S3
_chemical_formula_sum... |
# generated using pymatgen
data_Mo2S3
_symmetry_space_group_name_H-M P2_1/m
_cell_length_a 6.17036400
_cell_length_b 3.20985700
_cell_length_c 8.70627230
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.95757357
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 11
_chemical_formula_structural ... | data_Mo2S3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17036400
_cell_length_b 3.20985700
_cell_length_c 8.70627230
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.95757357
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mo2S3
_chemical_formula_sum... |
# generated using pymatgen
data_Mo2S3
_symmetry_space_group_name_H-M P2_1/m
_cell_length_a 6.17036400
_cell_length_b 3.20985700
_cell_length_c 8.70627230
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.95757357
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 11
_chemical_formula_structural ... | data_Mo2S3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.17036400
_cell_length_b 3.20985700
_cell_length_c 8.70627230
_cell_angle_alpha 90.00000000
_cell_angle_beta 102.95757357
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mo2S3
_chemical_formula_sum... |
# generated using pymatgen
data_Ti2O3
_symmetry_space_group_name_H-M Pnma
_cell_length_a 7.82893291
_cell_length_b 2.83804573
_cell_length_c 8.14506917
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural T... | data_Ti2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.82893291
_cell_length_b 2.83804573
_cell_length_c 8.14506917
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_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 Pnma
_cell_length_a 7.82893291
_cell_length_b 2.83804573
_cell_length_c 8.14506917
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural T... | data_Ti2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.82893291
_cell_length_b 2.83804573
_cell_length_c 8.14506917
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_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 Pnma
_cell_length_a 7.82893291
_cell_length_b 2.83804573
_cell_length_c 8.14506917
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural T... | data_Ti2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.82893291
_cell_length_b 2.83804573
_cell_length_c 8.14506917
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_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 Pnma
_cell_length_a 7.82893291
_cell_length_b 2.83804573
_cell_length_c 8.14506917
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural T... | data_Ti2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.82893291
_cell_length_b 2.83804573
_cell_length_c 8.14506917
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_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 Pnma
_cell_length_a 7.82893291
_cell_length_b 2.83804573
_cell_length_c 8.14506917
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 62
_chemical_formula_structural T... | data_Ti2O3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 7.82893291
_cell_length_b 2.83804573
_cell_length_c 8.14506917
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ti2O3
_chemical_formula_sum ... |
# generated using pymatgen
data_FeO
_symmetry_space_group_name_H-M Cc
_cell_length_a 3.42861000
_cell_length_b 5.90425800
_cell_length_c 10.53586739
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.29996508
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 9
_chemical_formula_structural FeO
_... | data_FeO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42861000
_cell_length_b 5.90425800
_cell_length_c 10.53586739
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.29996508
_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 Cc
_cell_length_a 3.42861000
_cell_length_b 5.90425800
_cell_length_c 10.53586739
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.29996508
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 9
_chemical_formula_structural FeO
_... | data_FeO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42861000
_cell_length_b 5.90425800
_cell_length_c 10.53586739
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.29996508
_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 Cc
_cell_length_a 3.42861000
_cell_length_b 5.90425800
_cell_length_c 10.53586739
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.29996508
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 9
_chemical_formula_structural FeO
_... | data_FeO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42861000
_cell_length_b 5.90425800
_cell_length_c 10.53586739
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.29996508
_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 Cc
_cell_length_a 3.42861000
_cell_length_b 5.90425800
_cell_length_c 10.53586739
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.29996508
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 9
_chemical_formula_structural FeO
_... | data_FeO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42861000
_cell_length_b 5.90425800
_cell_length_c 10.53586739
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.29996508
_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 Cc
_cell_length_a 3.42861000
_cell_length_b 5.90425800
_cell_length_c 10.53586739
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.29996508
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 9
_chemical_formula_structural FeO
_... | data_FeO
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 3.42861000
_cell_length_b 5.90425800
_cell_length_c 10.53586739
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.29996508
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural FeO
_chemical_formula_sum '... |
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