LMucko/crystallography-open-database huggingface dataset:
The crystal structures and magnetic susceptibilities of MnNb3S6, FeNb3S6, CoNb3S6 and NiNb3S6
Anzenhofer, K.; van den Berg, J. M.; Cossee, P.; Helle, J. N.; Journal of Physics and Chemistry of Solids 31 (1970) 1057–1067; doi:10.1016/0022-3697(70)90315-X

data_9011967
_publ_section_title
;
 The crystal structures and magnetic susceptibilities of MnNb3S6, FeNb3S6,
 CoNb3S6 and NiNb3S6
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1057
_journal_page_last               1067
_journal_paper_doi               10.1016/0022-3697(70)90315-X
_journal_volume                  31
_journal_year                    1970
_chemical_formula_structural     NiNb3S6
_chemical_formula_sum            'Nb3 Ni S6'
_space_group_IT_number           182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.768
_cell_length_b                   5.768
_cell_length_c                   11.886
_cell_formula_units_Z            2
_cell_volume                     342.466
_database_code_amcsd             0013197
_exptl_crystal_density_diffrn    5.138
_cod_original_formula_sum        'Ni Nb3 S6'
_cod_database_code               9011967
_amcsd_formula_title             NiNb3S6
The crystal structures and magnetic susceptibilities of MnNb3S6, FeNb3S6, CoNb3S6 and NiNb3S6
Anzenhofer, K.; van den Berg, J. M.; Cossee, P.; Helle, J. N.; Journal of Physics and Chemistry of Solids 31 (1970) 1057–1067; doi:10.1016/0022-3697(70)90315-X

data_9011968
_publ_section_title
;
 The crystal structures and magnetic susceptibilities of MnNb3S6, FeNb3S6,
 CoNb3S6 and NiNb3S6
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1057
_journal_page_last               1067
_journal_paper_doi               10.1016/0022-3697(70)90315-X
_journal_volume                  31
_journal_year                    1970
_chemical_formula_structural     CoNb3S6
_chemical_formula_sum            'Co0.95 Nb3 S6'
_space_group_IT_number           182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.768
_cell_length_b                   5.768
_cell_length_c                   11.886
_cell_formula_units_Z            2
_cell_volume                     342.466
_database_code_amcsd             0013198
_exptl_crystal_density_diffrn    5.112
_cod_original_formula_sum        'Co.95 Nb3 S6'
_cod_database_code               9011968
_amcsd_formula_title             CoNb3S6
The crystal structures and magnetic susceptibilities of MnNb3S6, FeNb3S6, CoNb3S6 and NiNb3S6
Anzenhofer, K.; van den Berg, J. M.; Cossee, P.; Helle, J. N.; Journal of Physics and Chemistry of Solids 31 (1970) 1057–1067; doi:10.1016/0022-3697(70)90315-X

data_9011969
_publ_section_title
;
 The crystal structures and magnetic susceptibilities of MnNb3S6, FeNb3S6,
 CoNb3S6 and NiNb3S6
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1057
_journal_page_last               1067
_journal_paper_doi               10.1016/0022-3697(70)90315-X
_journal_volume                  31
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Fe Nb3 S6'
_chemical_name_mineral           Edgarite
_space_group_IT_number           182
_symmetry_space_group_name_Hall  'P 6c 2c'
_symmetry_space_group_name_H-M   'P 63 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   5.761
_cell_length_b                   5.761
_cell_length_c                   12.201
_cell_formula_units_Z            2
_cell_volume                     350.689
_database_code_amcsd             0013199
_exptl_crystal_density_diffrn    4.990
_cod_database_code               9011969
Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 0 GPa
Liu, L.; Journal of Physics and Chemistry of Solids 47 (1986) 1067–1072; doi:10.1016/0022-3697(86)90073-9

data_9011970
_publ_section_title
;
 Compression and polymorphism of potassium to 400 Kbar
 Sample: bcc at P = 0 GPa
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1067
_journal_page_last               1072
_journal_paper_doi               10.1016/0022-3697(86)90073-9
_journal_volume                  47
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            K
_chemical_name_common            Potassium
_chemical_name_mineral           Potassium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.328
_cell_length_b                   5.328
_cell_length_c                   5.328
_cell_formula_units_Z            2
_cell_volume                     151.249
_database_code_amcsd             0013214
_diffrn_ambient_pressure         0
_exptl_crystal_density_diffrn    0.859
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011970
Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = .26 GPa
Liu, L.; Journal of Physics and Chemistry of Solids 47 (1986) 1067–1072; doi:10.1016/0022-3697(86)90073-9

data_9011971
_publ_section_title
;
 Compression and polymorphism of potassium to 400 Kbar
 Sample: bcc at P = .26 GPa
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1067
_journal_page_last               1072
_journal_paper_doi               10.1016/0022-3697(86)90073-9
_journal_volume                  47
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            K
_chemical_name_common            Potassium
_chemical_name_mineral           Potassium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.286
_cell_length_b                   5.286
_cell_length_c                   5.286
_cell_formula_units_Z            2
_cell_volume                     147.700
_database_code_amcsd             0013215
_diffrn_ambient_pressure         2.6e+05
_exptl_crystal_density_diffrn    0.879
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011971
Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 1.2 GPa
Liu, L.; Journal of Physics and Chemistry of Solids 47 (1986) 1067–1072; doi:10.1016/0022-3697(86)90073-9

data_9011972
_publ_section_title
;
 Compression and polymorphism of potassium to 400 Kbar
 Sample: bcc at P = 1.2 GPa
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1067
_journal_page_last               1072
_journal_paper_doi               10.1016/0022-3697(86)90073-9
_journal_volume                  47
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            K
_chemical_name_common            Potassium
_chemical_name_mineral           Potassium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.936
_cell_length_b                   4.936
_cell_length_c                   4.936
_cell_formula_units_Z            2
_cell_volume                     120.261
_database_code_amcsd             0013216
_diffrn_ambient_pressure         1.2e+06
_exptl_crystal_density_diffrn    1.080
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011972
Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 2.1 GPa
Liu, L.; Journal of Physics and Chemistry of Solids 47 (1986) 1067–1072; doi:10.1016/0022-3697(86)90073-9

data_9011973
_publ_section_title
;
 Compression and polymorphism of potassium to 400 Kbar
 Sample: bcc at P = 2.1 GPa
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1067
_journal_page_last               1072
_journal_paper_doi               10.1016/0022-3697(86)90073-9
_journal_volume                  47
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            K
_chemical_name_common            Potassium
_chemical_name_mineral           Potassium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.725
_cell_length_b                   4.725
_cell_length_c                   4.725
_cell_formula_units_Z            2
_cell_volume                     105.489
_database_code_amcsd             0013217
_diffrn_ambient_pressure         2.1e+06
_exptl_crystal_density_diffrn    1.231
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011973
Compression and polymorphism of potassium to 400 Kbar Sample: bcc. at P = 3 GPa
Liu, L.; Journal of Physics and Chemistry of Solids 47 (1986) 1067–1072; doi:10.1016/0022-3697(86)90073-9

data_9011974
_publ_section_title
;
 Compression and polymorphism of potassium to 400 Kbar
 Sample: bcc. at P = 3 GPa
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1067
_journal_page_last               1072
_journal_paper_doi               10.1016/0022-3697(86)90073-9
_journal_volume                  47
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            K
_chemical_name_common            Potassium
_chemical_name_mineral           Potassium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.622
_cell_length_b                   4.622
_cell_length_c                   4.622
_cell_formula_units_Z            2
_cell_volume                     98.739
_database_code_amcsd             0013218
_diffrn_ambient_pressure         3e+06
_exptl_crystal_density_diffrn    1.315
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011974
Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 4 GPa
Liu, L.; Journal of Physics and Chemistry of Solids 47 (1986) 1067–1072; doi:10.1016/0022-3697(86)90073-9

data_9011975
_publ_section_title
;
 Compression and polymorphism of potassium to 400 Kbar
 Sample: bcc at P = 4 GPa
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1067
_journal_page_last               1072
_journal_paper_doi               10.1016/0022-3697(86)90073-9
_journal_volume                  47
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            K
_chemical_name_common            Potassium
_chemical_name_mineral           Potassium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.511
_cell_length_b                   4.511
_cell_length_c                   4.511
_cell_formula_units_Z            2
_cell_volume                     91.795
_database_code_amcsd             0013219
_diffrn_ambient_pressure         4e+06
_exptl_crystal_density_diffrn    1.415
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011975
Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 5.3 GPa
Liu, L.; Journal of Physics and Chemistry of Solids 47 (1986) 1067–1072; doi:10.1016/0022-3697(86)90073-9

data_9011976
_publ_section_title
;
 Compression and polymorphism of potassium to 400 Kbar
 Sample: bcc at P = 5.3 GPa
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1067
_journal_page_last               1072
_journal_paper_doi               10.1016/0022-3697(86)90073-9
_journal_volume                  47
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            K
_chemical_name_common            Potassium
_chemical_name_mineral           Potassium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.476
_cell_length_b                   4.476
_cell_length_c                   4.476
_cell_formula_units_Z            2
_cell_volume                     89.675
_database_code_amcsd             0013220
_diffrn_ambient_pressure         5.3e+06
_exptl_crystal_density_diffrn    1.448
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011976
Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 6.7 GPa
Liu, L.; Journal of Physics and Chemistry of Solids 47 (1986) 1067–1072; doi:10.1016/0022-3697(86)90073-9

data_9011977
_publ_section_title
;
 Compression and polymorphism of potassium to 400 Kbar
 Sample: bcc at P = 6.7 GPa
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1067
_journal_page_last               1072
_journal_paper_doi               10.1016/0022-3697(86)90073-9
_journal_volume                  47
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            K
_chemical_name_common            Potassium
_chemical_name_mineral           Potassium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.313
_cell_length_b                   4.313
_cell_length_c                   4.313
_cell_formula_units_Z            2
_cell_volume                     80.230
_database_code_amcsd             0013221
_diffrn_ambient_pressure         6.7e+06
_exptl_crystal_density_diffrn    1.618
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011977
Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 7 GPa
Liu, L.; Journal of Physics and Chemistry of Solids 47 (1986) 1067–1072; doi:10.1016/0022-3697(86)90073-9

data_9011978
_publ_section_title
;
 Compression and polymorphism of potassium to 400 Kbar
 Sample: bcc at P = 7 GPa
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1067
_journal_page_last               1072
_journal_paper_doi               10.1016/0022-3697(86)90073-9
_journal_volume                  47
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            K
_chemical_name_common            Potassium
_chemical_name_mineral           Potassium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.305
_cell_length_b                   4.305
_cell_length_c                   4.305
_cell_formula_units_Z            2
_cell_volume                     79.785
_database_code_amcsd             0013222
_diffrn_ambient_pressure         7e+06
_exptl_crystal_density_diffrn    1.627
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011978
Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 9.2 GPa
Liu, L.; Journal of Physics and Chemistry of Solids 47 (1986) 1067–1072; doi:10.1016/0022-3697(86)90073-9

data_9011979
_publ_section_title
;
 Compression and polymorphism of potassium to 400 Kbar
 Sample: bcc at P = 9.2 GPa
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1067
_journal_page_last               1072
_journal_paper_doi               10.1016/0022-3697(86)90073-9
_journal_volume                  47
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            K
_chemical_name_common            Potassium
_chemical_name_mineral           Potassium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.224
_cell_length_b                   4.224
_cell_length_c                   4.224
_cell_formula_units_Z            2
_cell_volume                     75.365
_database_code_amcsd             0013223
_diffrn_ambient_pressure         9.2e+06
_exptl_crystal_density_diffrn    1.723
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011979
Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 9.9 GPa
Liu, L.; Journal of Physics and Chemistry of Solids 47 (1986) 1067–1072; doi:10.1016/0022-3697(86)90073-9

data_9011980
_publ_section_title
;
 Compression and polymorphism of potassium to 400 Kbar
 Sample: bcc at P = 9.9 GPa
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1067
_journal_page_last               1072
_journal_paper_doi               10.1016/0022-3697(86)90073-9
_journal_volume                  47
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            K
_chemical_name_common            Potassium
_chemical_name_mineral           Potassium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.185
_cell_length_b                   4.185
_cell_length_c                   4.185
_cell_formula_units_Z            2
_cell_volume                     73.297
_database_code_amcsd             0013224
_diffrn_ambient_pressure         9.9e+06
_exptl_crystal_density_diffrn    1.772
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011980
Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 10 GPa
Liu, L.; Journal of Physics and Chemistry of Solids 47 (1986) 1067–1072; doi:10.1016/0022-3697(86)90073-9

data_9011981
_publ_section_title
;
 Compression and polymorphism of potassium to 400 Kbar
 Sample: bcc at P = 10 GPa
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1067
_journal_page_last               1072
_journal_paper_doi               10.1016/0022-3697(86)90073-9
_journal_volume                  47
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            K
_chemical_name_common            Potassium
_chemical_name_mineral           Potassium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.182
_cell_length_b                   4.182
_cell_length_c                   4.182
_cell_formula_units_Z            2
_cell_volume                     73.140
_database_code_amcsd             0013225
_diffrn_ambient_pressure         1e+07
_exptl_crystal_density_diffrn    1.775
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011981
Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 11.3 GPa
Liu, L.; Journal of Physics and Chemistry of Solids 47 (1986) 1067–1072; doi:10.1016/0022-3697(86)90073-9

data_9011982
_publ_section_title
;
 Compression and polymorphism of potassium to 400 Kbar
 Sample: bcc at P = 11.3 GPa
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1067
_journal_page_last               1072
_journal_paper_doi               10.1016/0022-3697(86)90073-9
_journal_volume                  47
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            K
_chemical_name_common            Potassium
_chemical_name_mineral           Potassium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.147
_cell_length_b                   4.147
_cell_length_c                   4.147
_cell_formula_units_Z            2
_cell_volume                     71.318
_database_code_amcsd             0013226
_diffrn_ambient_pressure         1.13e+07
_exptl_crystal_density_diffrn    1.821
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011982
Compression and polymorphism of potassium to 400 Kbar Sample: bcc at P = 12 GPa
Liu, L.; Journal of Physics and Chemistry of Solids 47 (1986) 1067–1072; doi:10.1016/0022-3697(86)90073-9

data_9011983
_publ_section_title
;
 Compression and polymorphism of potassium to 400 Kbar
 Sample: bcc at P = 12 GPa
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1067
_journal_page_last               1072
_journal_paper_doi               10.1016/0022-3697(86)90073-9
_journal_volume                  47
_journal_year                    1986
_chemical_compound_source        Synthetic
_chemical_formula_sum            K
_chemical_name_common            Potassium
_chemical_name_mineral           Potassium
_space_group_IT_number           229
_symmetry_space_group_name_Hall  '-I 4 2 3'
_symmetry_space_group_name_H-M   'I m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.130
_cell_length_b                   4.130
_cell_length_c                   4.130
_cell_formula_units_Z            2
_cell_volume                     70.445
_database_code_amcsd             0013227
_diffrn_ambient_pressure         1.2e+07
_exptl_crystal_density_diffrn    1.843
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011983