LMucko/crystallography-open-database huggingface dataset:
Effect of pressure on the atom positions in Se and Te Note: known as alpha phase with trigonal structure
Keller, R.; Holzapfel, W. B.; Schulz, H.; Physical Review B 16 (1977) 4404–4412; doi:10.1103/PhysRevB.16.4404

data_9011648
_publ_section_title
;
 Effect of pressure on the atom positions in Se and Te
 Note: known as alpha phase with trigonal structure
;
_journal_name_full               'Physical Review B'
_journal_page_first              4404
_journal_page_last               4412
_journal_paper_doi               10.1103/PhysRevB.16.4404
_journal_volume                  16
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.368
_cell_length_b                   4.368
_cell_length_c                   4.958
_cell_formula_units_Z            3
_cell_volume                     81.922
_database_code_amcsd             0015161
_exptl_crystal_density_diffrn    4.801
_cod_database_code               9011648
Effect of pressure on the atom positions in Se and Te Sample: at P = 2.58 GPa Note: known as alpha phase with trigonal structure
Keller, R.; Holzapfel, W. B.; Schulz, H.; Physical Review B 16 (1977) 4404–4412; doi:10.1103/PhysRevB.16.4404

data_9011649
_publ_section_title
;
 Effect of pressure on the atom positions in Se and Te
 Sample: at P = 2.58 GPa
 Note: known as alpha phase with trigonal structure
;
_journal_name_full               'Physical Review B'
_journal_page_first              4404
_journal_page_last               4412
_journal_paper_doi               10.1103/PhysRevB.16.4404
_journal_volume                  16
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.052
_cell_length_b                   4.052
_cell_length_c                   5.038
_cell_formula_units_Z            3
_cell_volume                     71.635
_database_code_amcsd             0015162
_diffrn_ambient_pressure         2.58e+06
_exptl_crystal_density_diffrn    5.491
_cod_database_code               9011649
Effect of pressure on the atom positions in Se and Te Sample: at P = 4.15 GPa Note: known as alpha phase with trigonal structure
Keller, R.; Holzapfel, W. B.; Schulz, H.; Physical Review B 16 (1977) 4404–4412; doi:10.1103/PhysRevB.16.4404

data_9011650
_publ_section_title
;
 Effect of pressure on the atom positions in Se and Te
 Sample: at P = 4.15 GPa
 Note: known as alpha phase with trigonal structure
;
_journal_name_full               'Physical Review B'
_journal_page_first              4404
_journal_page_last               4412
_journal_paper_doi               10.1103/PhysRevB.16.4404
_journal_volume                  16
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.956
_cell_length_b                   3.956
_cell_length_c                   5.069
_cell_formula_units_Z            3
_cell_volume                     68.701
_database_code_amcsd             0015163
_diffrn_ambient_pressure         4.15e+06
_exptl_crystal_density_diffrn    5.725
_cod_database_code               9011650
Effect of pressure on the atom positions in Se and Te Sample: at P = 4.99 GPa Note: known as alpha phase with trigonal structure
Keller, R.; Holzapfel, W. B.; Schulz, H.; Physical Review B 16 (1977) 4404–4412; doi:10.1103/PhysRevB.16.4404

data_9011651
_publ_section_title
;
 Effect of pressure on the atom positions in Se and Te
 Sample: at P = 4.99 GPa
 Note: known as alpha phase with trigonal structure
;
_journal_name_full               'Physical Review B'
_journal_page_first              4404
_journal_page_last               4412
_journal_paper_doi               10.1103/PhysRevB.16.4404
_journal_volume                  16
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.910
_cell_length_b                   3.910
_cell_length_c                   5.080
_cell_formula_units_Z            3
_cell_volume                     67.259
_database_code_amcsd             0015164
_diffrn_ambient_pressure         4.99e+06
_exptl_crystal_density_diffrn    5.848
_cod_database_code               9011651
Effect of pressure on the atom positions in Se and Te Sample: at P = 6.57 GPa Note: known as alpha phase with trigonal structure
Keller, R.; Holzapfel, W. B.; Schulz, H.; Physical Review B 16 (1977) 4404–4412; doi:10.1103/PhysRevB.16.4404

data_9011652
_publ_section_title
;
 Effect of pressure on the atom positions in Se and Te
 Sample: at P = 6.57 GPa
 Note: known as alpha phase with trigonal structure
;
_journal_name_full               'Physical Review B'
_journal_page_first              4404
_journal_page_last               4412
_journal_paper_doi               10.1103/PhysRevB.16.4404
_journal_volume                  16
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.846
_cell_length_b                   3.846
_cell_length_c                   5.095
_cell_formula_units_Z            3
_cell_volume                     65.267
_database_code_amcsd             0015165
_diffrn_ambient_pressure         6.57e+06
_exptl_crystal_density_diffrn    6.027
_cod_database_code               9011652
Effect of pressure on the atom positions in Se and Te Sample: at P = 7.70 GPa Note: known as alpha phase with trigonal structure
Keller, R.; Holzapfel, W. B.; Schulz, H.; Physical Review B 16 (1977) 4404–4412; doi:10.1103/PhysRevB.16.4404

data_9011653
_publ_section_title
;
 Effect of pressure on the atom positions in Se and Te
 Sample: at P = 7.70 GPa
 Note: known as alpha phase with trigonal structure
;
_journal_name_full               'Physical Review B'
_journal_page_first              4404
_journal_page_last               4412
_journal_paper_doi               10.1103/PhysRevB.16.4404
_journal_volume                  16
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.810
_cell_length_b                   3.810
_cell_length_c                   5.110
_cell_formula_units_Z            3
_cell_volume                     64.239
_database_code_amcsd             0015166
_diffrn_ambient_pressure         7.7e+06
_exptl_crystal_density_diffrn    6.123
_cod_database_code               9011653
Effect of pressure on the atom positions in Se and Te Sample: at P = 8.64 GPa Note: known as alpha phase with trigonal structure
Keller, R.; Holzapfel, W. B.; Schulz, H.; Physical Review B 16 (1977) 4404–4412; doi:10.1103/PhysRevB.16.4404

data_9011654
_publ_section_title
;
 Effect of pressure on the atom positions in Se and Te
 Sample: at P = 8.64 GPa
 Note: known as alpha phase with trigonal structure
;
_journal_name_full               'Physical Review B'
_journal_page_first              4404
_journal_page_last               4412
_journal_paper_doi               10.1103/PhysRevB.16.4404
_journal_volume                  16
_journal_year                    1977
_chemical_compound_source        Synthetic
_chemical_formula_sum            Se
_chemical_name_common            Selenium
_chemical_name_mineral           Selenium
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.779
_cell_length_b                   3.779
_cell_length_c                   5.109
_cell_formula_units_Z            3
_cell_volume                     63.186
_database_code_amcsd             0015167
_diffrn_ambient_pressure         8.64e+06
_exptl_crystal_density_diffrn    6.225
_cod_database_code               9011654
High-pressure phase transformation in scandium Sample: at P = 33.5 GPa
Vohra, Y. K.; Grosshans, W.; Holzapfel, W. B.; Physical Review B 25 (1982) 6019–6021; doi:10.1103/PhysRevB.25.6019

data_9011655
_publ_section_title
;
 High-pressure phase transformation in scandium
 Sample: at P = 33.5 GPa
;
_journal_name_full               'Physical Review B'
_journal_page_first              6019
_journal_page_last               6021
_journal_paper_doi               10.1103/PhysRevB.25.6019
_journal_volume                  25
_journal_year                    1982
_chemical_compound_source        Synthetic
_chemical_formula_sum            Sc
_chemical_name_common            Scandium
_chemical_name_mineral           Scandium
_space_group_IT_number           129
_symmetry_space_group_name_Hall  'P 4ab 2ab -1ab'
_symmetry_space_group_name_H-M   'P 4/n m m :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.73
_cell_length_b                   4.73
_cell_length_c                   3.18
_cell_formula_units_Z            4
_cell_volume                     71.146
_database_code_amcsd             0015168
_diffrn_ambient_pressure         3.35e+07
_exptl_crystal_density_diffrn    4.197
_cod_original_sg_symbol_H-M      'P 4/n m m'
_cod_database_code               9011655
New high-pressure phase of Si Sample: structure exists between 13 GPa to 18 GPa Note: intermediate structure between those of Si II and Si V
McMahon, M. I.; Nelmes, R. J.; Physical Review B 47 (1993) 8337–8340; doi:10.1103/PhysRevB.47.8337

data_9011656
_publ_section_title
;
 New high-pressure phase of Si
 Sample: structure exists between 13 GPa to 18 GPa
 Note: intermediate structure between those of Si II and Si V
;
_journal_name_full               'Physical Review B'
_journal_page_first              8337
_journal_page_last               8340
_journal_paper_doi               10.1103/PhysRevB.47.8337
_journal_volume                  47
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            Si
_chemical_name_common            Silicon
_chemical_name_mineral           Silicon
_space_group_IT_number           74
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.737
_cell_length_b                   4.502
_cell_length_c                   2.550
_cell_formula_units_Z            4
_cell_volume                     54.381
_database_code_amcsd             0015170
_exptl_crystal_density_diffrn    3.430
_cod_database_code               9011656
Electronic, optical, and structural properties of some wurtzite crystals
Xu, Y. N.; Ching, W. Y.; Physical Review B 48 (1993) 4335–4351; doi:10.1103/PhysRevB.48.4335

data_9011657
_publ_section_title
;
 Electronic, optical, and structural properties of some wurtzite crystals
;
_journal_name_full               'Physical Review B'
_journal_page_first              4335
_journal_page_last               4351
_journal_paper_doi               10.1103/PhysRevB.48.4335
_journal_volume                  48
_journal_year                    1993
_chemical_formula_structural     AlN
_chemical_formula_sum            'Al N'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.110
_cell_length_b                   3.110
_cell_length_c                   4.980
_cell_formula_units_Z            2
_cell_volume                     41.714
_database_code_amcsd             0015171
_exptl_crystal_density_diffrn    3.263
_cod_database_code               9011657
_amcsd_formula_title             AlN
Electronic, optical, and structural properties of some wurtzite crystals
Xu, Y. N.; Ching, W. Y.; Physical Review B 48 (1993) 4335–4351; doi:10.1103/PhysRevB.48.4335

data_9011658
_publ_section_title
;
 Electronic, optical, and structural properties of some wurtzite crystals
;
_journal_name_full               'Physical Review B'
_journal_page_first              4335
_journal_page_last               4351
_journal_paper_doi               10.1103/PhysRevB.48.4335
_journal_volume                  48
_journal_year                    1993
_chemical_formula_structural     GaN
_chemical_formula_sum            'Ga N'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.190
_cell_length_b                   3.190
_cell_length_c                   5.189
_cell_formula_units_Z            2
_cell_volume                     45.729
_database_code_amcsd             0015172
_exptl_crystal_density_diffrn    6.081
_cod_database_code               9011658
_amcsd_formula_title             GaN
Electronic, optical, and structural properties of some wurtzite crystals
Xu, Y. N.; Ching, W. Y.; Physical Review B 48 (1993) 4335–4351; doi:10.1103/PhysRevB.48.4335

data_9011659
_publ_section_title
;
 Electronic, optical, and structural properties of some wurtzite crystals
;
_journal_name_full               'Physical Review B'
_journal_page_first              4335
_journal_page_last               4351
_journal_paper_doi               10.1103/PhysRevB.48.4335
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            'Be O'
_chemical_name_mineral           Bromellite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.698
_cell_length_b                   2.698
_cell_length_c                   4.380
_cell_formula_units_Z            2
_cell_volume                     27.611
_database_code_amcsd             0015173
_exptl_crystal_density_diffrn    3.008
_cod_database_code               9011659
Electronic, optical, and structural properties of some wurtzite crystals
Xu, Y. N.; Ching, W. Y.; Physical Review B 48 (1993) 4335–4351; doi:10.1103/PhysRevB.48.4335

data_9011660
_publ_section_title
;
 Electronic, optical, and structural properties of some wurtzite crystals
;
_journal_name_full               'Physical Review B'
_journal_page_first              4335
_journal_page_last               4351
_journal_paper_doi               10.1103/PhysRevB.48.4335
_journal_volume                  48
_journal_year                    1993
_chemical_formula_structural     BN
_chemical_formula_sum            'B N'
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   2.536
_cell_length_b                   2.536
_cell_length_c                   4.199
_cell_formula_units_Z            2
_cell_volume                     23.387
_database_code_amcsd             0015174
_exptl_crystal_density_diffrn    3.524
_cod_database_code               9011660
_amcsd_formula_title             BN
Electronic, optical, and structural properties of some wurtzite crystals
Xu, Y. N.; Ching, W. Y.; Physical Review B 48 (1993) 4335–4351; doi:10.1103/PhysRevB.48.4335

data_9011661
_publ_section_title
;
 Electronic, optical, and structural properties of some wurtzite crystals
;
_journal_name_full               'Physical Review B'
_journal_page_first              4335
_journal_page_last               4351
_journal_paper_doi               10.1103/PhysRevB.48.4335
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            'C Si'
_chemical_name_mineral           Moissanite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.076
_cell_length_b                   3.076
_cell_length_c                   5.048
_cell_formula_units_Z            2
_cell_volume                     41.364
_database_code_amcsd             0015175
_exptl_crystal_density_diffrn    3.219
_cod_original_formula_sum        'Si C'
_cod_database_code               9011661
Electronic, optical, and structural properties of some wurtzite crystals
Xu, Y. N.; Ching, W. Y.; Physical Review B 48 (1993) 4335–4351; doi:10.1103/PhysRevB.48.4335

data_9011662
_publ_section_title
;
 Electronic, optical, and structural properties of some wurtzite crystals
;
_journal_name_full               'Physical Review B'
_journal_page_first              4335
_journal_page_last               4351
_journal_paper_doi               10.1103/PhysRevB.48.4335
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            'O Zn'
_chemical_name_mineral           Zincite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.249
_cell_length_b                   3.249
_cell_length_c                   5.207
_cell_formula_units_Z            2
_cell_volume                     47.601
_database_code_amcsd             0015176
_exptl_crystal_density_diffrn    5.678
_cod_original_formula_sum        'Zn O'
_cod_database_code               9011662
Electronic, optical, and structural properties of some wurtzite crystals
Xu, Y. N.; Ching, W. Y.; Physical Review B 48 (1993) 4335–4351; doi:10.1103/PhysRevB.48.4335

data_9011663
_publ_section_title
;
 Electronic, optical, and structural properties of some wurtzite crystals
;
_journal_name_full               'Physical Review B'
_journal_page_first              4335
_journal_page_last               4351
_journal_paper_doi               10.1103/PhysRevB.48.4335
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            'Cd S'
_chemical_name_mineral           Greenockite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.137
_cell_length_b                   4.137
_cell_length_c                   6.7144
_cell_formula_units_Z            2
_cell_volume                     99.520
_database_code_amcsd             0015177
_exptl_crystal_density_diffrn    4.821
_cod_database_code               9011663
Electronic, optical, and structural properties of some wurtzite crystals
Xu, Y. N.; Ching, W. Y.; Physical Review B 48 (1993) 4335–4351; doi:10.1103/PhysRevB.48.4335

data_9011664
_publ_section_title
;
 Electronic, optical, and structural properties of some wurtzite crystals
;
_journal_name_full               'Physical Review B'
_journal_page_first              4335
_journal_page_last               4351
_journal_paper_doi               10.1103/PhysRevB.48.4335
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            'Cd Se'
_chemical_name_mineral           Cadmoselite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.2985
_cell_length_b                   4.2985
_cell_length_c                   7.0152
_cell_formula_units_Z            2
_cell_volume                     112.255
_database_code_amcsd             0015178
_exptl_crystal_density_diffrn    5.662
_cod_database_code               9011664
Electronic, optical, and structural properties of some wurtzite crystals Note: 2H polytype
Xu, Y. N.; Ching, W. Y.; Physical Review B 48 (1993) 4335–4351; doi:10.1103/PhysRevB.48.4335

data_9011665
_publ_section_title
;
 Electronic, optical, and structural properties of some wurtzite crystals
 Note: 2H polytype
;
_journal_name_full               'Physical Review B'
_journal_page_first              4335
_journal_page_last               4351
_journal_paper_doi               10.1103/PhysRevB.48.4335
_journal_volume                  48
_journal_year                    1993
_chemical_formula_sum            'S Zn'
_chemical_name_mineral           Wurtzite
_space_group_IT_number           186
_symmetry_space_group_name_Hall  'P 6c -2c'
_symmetry_space_group_name_H-M   'P 63 m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.811
_cell_length_b                   3.811
_cell_formula_units_Z            2
_cell_length_c                   6.234
_cell_volume                     78.411
_database_code_amcsd             0015179
_exptl_crystal_density_diffrn    4.128
_cod_original_formula_sum        'Zn S'
_cod_database_code               9011665