LMucko/crystallography-open-database huggingface dataset:
Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 46 K Note: beta phase
Schuch, A. F.; Mills, R. L.; Journal of Chemical Physics 52 (1970) 6000–6008; doi:10.1063/1.1672899

data_9012476
_publ_section_title
;
 Crystal structures of the three modifications of nitrogen 14 and
 nitrogen 15 at high pressure
 Sample: at T = 46 K
 Note: beta phase
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              6000
_journal_page_last               6008
_journal_paper_doi               10.1063/1.1672899
_journal_volume                  52
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            N2
_chemical_name_common            Nitrogen
_chemical_name_mineral           Nitrogen
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.050
_cell_length_b                   4.050
_cell_length_c                   6.604
_cell_formula_units_Z            2
_cell_volume                     93.810
_database_code_amcsd             0012997
_diffrn_ambient_temperature      46
_exptl_crystal_density_diffrn    0.992
_cod_database_code               9012476
Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 46.5 K and P = .1484 GPa Note: beta phase
Schuch, A. F.; Mills, R. L.; Journal of Chemical Physics 52 (1970) 6000–6008; doi:10.1063/1.1672899

data_9012477
_publ_section_title
;
 Crystal structures of the three modifications of nitrogen 14 and
 nitrogen 15 at high pressure
 Sample: at T = 46.5 K and P = .1484 GPa
 Note: beta phase
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              6000
_journal_page_last               6008
_journal_paper_doi               10.1063/1.1672899
_journal_volume                  52
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            N2
_chemical_name_common            Nitrogen
_chemical_name_mineral           Nitrogen
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.967
_cell_length_b                   3.967
_cell_length_c                   6.496
_cell_formula_units_Z            2
_cell_volume                     88.532
_database_code_amcsd             0012998
_diffrn_ambient_pressure         1.484e+05
_diffrn_ambient_temperature      46.5
_exptl_crystal_density_diffrn    1.051
_cod_database_code               9012477
Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 49 K and P = .2818 GPa Note: beta phase
Schuch, A. F.; Mills, R. L.; Journal of Chemical Physics 52 (1970) 6000–6008; doi:10.1063/1.1672899

data_9012478
_publ_section_title
;
 Crystal structures of the three modifications of nitrogen 14 and
 nitrogen 15 at high pressure
 Sample: at T = 49 K and P = .2818 GPa
 Note: beta phase
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              6000
_journal_page_last               6008
_journal_paper_doi               10.1063/1.1672899
_journal_volume                  52
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            N2
_chemical_name_common            Nitrogen
_chemical_name_mineral           Nitrogen
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.924
_cell_length_b                   3.924
_cell_length_c                   6.356
_cell_formula_units_Z            2
_cell_volume                     84.756
_database_code_amcsd             0012999
_diffrn_ambient_pressure         2.818e+05
_diffrn_ambient_temperature      49
_exptl_crystal_density_diffrn    1.098
_cod_database_code               9012478
Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 49 K and P = .4180 GPa Note: beta phase
Schuch, A. F.; Mills, R. L.; Journal of Chemical Physics 52 (1970) 6000–6008; doi:10.1063/1.1672899

data_9012479
_publ_section_title
;
 Crystal structures of the three modifications of nitrogen 14 and
 nitrogen 15 at high pressure
 Sample: at T = 49 K and P = .4180 GPa
 Note: beta phase
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              6000
_journal_page_last               6008
_journal_paper_doi               10.1063/1.1672899
_journal_volume                  52
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            N2
_chemical_name_common            Nitrogen
_chemical_name_mineral           Nitrogen
_space_group_IT_number           194
_symmetry_space_group_name_Hall  '-P 6c 2c'
_symmetry_space_group_name_H-M   'P 63/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.861
_cell_length_b                   3.861
_cell_length_c                   6.265
_cell_formula_units_Z            2
_cell_volume                     80.882
_database_code_amcsd             0013000
_diffrn_ambient_pressure         4.18e+05
_diffrn_ambient_temperature      49
_exptl_crystal_density_diffrn    1.150
_cod_database_code               9012479
Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 20 K Note: alpha phase
Schuch, A. F.; Mills, R. L.; Journal of Chemical Physics 52 (1970) 6000–6008; doi:10.1063/1.1672899

data_9012480
_publ_section_title
;
 Crystal structures of the three modifications of nitrogen 14 and
 nitrogen 15 at high pressure
 Sample: at T = 20 K
 Note: alpha phase
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              6000
_journal_page_last               6008
_journal_paper_doi               10.1063/1.1672899
_journal_volume                  52
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            N
_chemical_name_common            Nitrogen
_chemical_name_mineral           Nitrogen
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.649
_cell_length_b                   5.649
_cell_length_c                   5.649
_cell_formula_units_Z            4
_cell_volume                     180.266
_database_code_amcsd             0013001
_diffrn_ambient_temperature      20
_exptl_crystal_density_diffrn    0.516
_cod_database_code               9012480
Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 20 K and P = .2690 GPa Note: alpha phase
Schuch, A. F.; Mills, R. L.; Journal of Chemical Physics 52 (1970) 6000–6008; doi:10.1063/1.1672899

data_9012481
_publ_section_title
;
 Crystal structures of the three modifications of nitrogen 14 and
 nitrogen 15 at high pressure
 Sample: at T = 20 K and P = .2690 GPa
 Note: alpha phase
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              6000
_journal_page_last               6008
_journal_paper_doi               10.1063/1.1672899
_journal_volume                  52
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            N
_chemical_name_common            Nitrogen
_chemical_name_mineral           Nitrogen
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.495
_cell_length_b                   5.495
_cell_length_c                   5.495
_cell_formula_units_Z            4
_cell_volume                     165.922
_database_code_amcsd             0013002
_diffrn_ambient_pressure         2.69e+05
_diffrn_ambient_temperature      20
_exptl_crystal_density_diffrn    0.561
_cod_database_code               9012481
Crystal structures of the three modifications of nitrogen 14 and nitrogen 15 at high pressure Sample: at T = 19.6 K and P = .3835 GPa Note: alpha phase
Schuch, A. F.; Mills, R. L.; Journal of Chemical Physics 52 (1970) 6000–6008; doi:10.1063/1.1672899

data_9012482
_publ_section_title
;
 Crystal structures of the three modifications of nitrogen 14 and
 nitrogen 15 at high pressure
 Sample: at T = 19.6 K and P = .3835 GPa
 Note: alpha phase
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              6000
_journal_page_last               6008
_journal_paper_doi               10.1063/1.1672899
_journal_volume                  52
_journal_year                    1970
_chemical_compound_source        Synthetic
_chemical_formula_sum            N
_chemical_name_common            Nitrogen
_chemical_name_mineral           Nitrogen
_space_group_IT_number           198
_symmetry_space_group_name_Hall  'P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P 21 3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.433
_cell_length_b                   5.433
_cell_length_c                   5.433
_cell_formula_units_Z            4
_cell_volume                     160.369
_database_code_amcsd             0013003
_diffrn_ambient_pressure         3.835e+05
_diffrn_ambient_temperature      19.6
_exptl_crystal_density_diffrn    0.580
_cod_database_code               9012482
Crystal structures of Ga(II) and Ga(III) Sample: at P = 2.8 GPa, T = 298 K Note: structure known as Ga(III) phase
Bosio, L.; Journal of Chemical Physics 68 (1978) 1221–1223; doi:10.1063/1.435841

data_9012483
_publ_section_title
;
 Crystal structures of Ga(II) and Ga(III)
 Sample: at P = 2.8 GPa, T = 298 K
 Note: structure known as Ga(III) phase
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              1221
_journal_page_last               1223
_journal_paper_doi               10.1063/1.435841
_journal_volume                  68
_journal_year                    1978
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ga
_chemical_name_common            Gallium
_chemical_name_mineral           Gallium
_space_group_IT_number           139
_symmetry_space_group_name_Hall  '-I 4 2'
_symmetry_space_group_name_H-M   'I 4/m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.813
_cell_length_b                   2.813
_cell_length_c                   4.452
_cell_formula_units_Z            2
_cell_volume                     35.229
_database_code_amcsd             0013006
_diffrn_ambient_pressure         2.8e+06
_diffrn_ambient_temperature      298
_exptl_crystal_density_diffrn    6.573
_cod_database_code               9012483
Crystal structures of Ga(II) and Ga(III) Loclailty: synthetic Sample: at P = 2.6 GPa, T = 313 K Note: structure known as Ga(II) phase
Bosio, L.; Journal of Chemical Physics 68 (1978) 1221–1223; doi:10.1063/1.435841

data_9012484
_publ_section_title
;
 Crystal structures of Ga(II) and Ga(III)
 Loclailty: synthetic
 Sample: at P = 2.6 GPa, T = 313 K
 Note: structure known as Ga(II) phase
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              1221
_journal_page_last               1223
_journal_paper_doi               10.1063/1.435841
_journal_volume                  68
_journal_year                    1978
_chemical_formula_sum            Ga
_chemical_name_common            Gallium
_chemical_name_mineral           Gallium
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.951
_cell_length_b                   5.951
_cell_length_c                   5.951
_cell_formula_units_Z            12
_cell_volume                     210.751
_database_code_amcsd             0013007
_diffrn_ambient_pressure         2.6e+06
_diffrn_ambient_temperature      313
_exptl_crystal_density_diffrn    6.592
_cod_database_code               9012484
Structure atomique d'une phase cristalline du gallium, instable a la pression atmospherique Locality: synthetic Sample: at T = 256.85 K
Curien, H.; Rimsky, A.; Defrain, A.; Bulletin de la Societe Francaise de Mineralogie et de Cristallographie 84 (1961) 260–264; doi:

data_9012485
_publ_section_title
;
 Structure atomique d'une phase cristalline du gallium, instable
 a la pression atmospherique
 Locality: synthetic
 Sample: at T = 256.85 K
;
_journal_name_full
'Bulletin de la Societe Francaise de Mineralogie et de Cristallographie'
_journal_page_first              260
_journal_page_last               264
_journal_volume                  84
_journal_year                    1961
_chemical_formula_sum            Ga
_chemical_name_common            Gallium
_space_group_IT_number           63
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   2.90
_cell_length_b                   8.13
_cell_length_c                   3.17
_cell_formula_units_Z            4
_cell_volume                     74.739
_diffrn_ambient_temperature      256.85
_exptl_crystal_density_diffrn    6.196
_cod_database_code               9012485
_database_code_amcsd 0012115
Effect of pressure on bonding in black phosphorus Locality: synthetic Note: pressures calculated from the measured unit cell volume
Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.; Journal of Chemical Physics 71 (1979) 1718–1721; doi:10.1063/1.438523

data_9012486
_publ_section_title
;
 Effect of pressure on bonding in black phosphorus
 Locality: synthetic
 Note: pressures calculated from the measured unit cell volume
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              1718
_journal_page_last               1721
_journal_paper_doi               10.1063/1.438523
_journal_volume                  71
_journal_year                    1979
_chemical_formula_sum            P
_chemical_name_common            Phosphorus
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.3133
_cell_length_b                   10.473
_cell_length_c                   4.374
_cell_formula_units_Z            8
_cell_volume                     151.779
_exptl_crystal_density_diffrn    2.711
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9012486
_database_code_amcsd 0013008
Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = .41 GPa Note: pressures calculated from the measured unit cell volume
Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.; Journal of Chemical Physics 71 (1979) 1718–1721; doi:10.1063/1.438523

data_9012487
_publ_section_title
;
 Effect of pressure on bonding in black phosphorus
 Locality: synthetic
 Sample: at P = .41 GPa
 Note: pressures calculated from the measured unit cell volume
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              1718
_journal_page_last               1721
_journal_paper_doi               10.1063/1.438523
_journal_volume                  71
_journal_year                    1979
_chemical_formula_sum            P
_chemical_name_common            Phosphorus
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.3121
_cell_length_b                   10.408
_cell_formula_units_Z            8
_cell_length_c                   4.350
_cell_volume                     149.955
_diffrn_ambient_pressure         4.1e+05
_exptl_crystal_density_diffrn    2.744
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9012487
_database_code_amcsd 0013009
Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = .71 GPa Note: pressures calculated from the measured unit cell volume
Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.; Journal of Chemical Physics 71 (1979) 1718–1721; doi:10.1063/1.438523

data_9012488
_publ_section_title
;
 Effect of pressure on bonding in black phosphorus
 Locality: synthetic
 Sample: at P = .71 GPa
 Note: pressures calculated from the measured unit cell volume
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              1718
_journal_page_last               1721
_journal_paper_doi               10.1063/1.438523
_journal_volume                  71
_journal_year                    1979
_chemical_formula_sum            P
_chemical_name_common            Phosphorus
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.3105
_cell_length_b                   10.363
_cell_formula_units_Z            8
_cell_length_c                   4.335
_cell_volume                     148.720
_diffrn_ambient_pressure         7.1e+05
_exptl_crystal_density_diffrn    2.767
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9012488
_database_code_amcsd 0013010
Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.02 GPa Note: pressures calculated from the measured unit cell volume
Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.; Journal of Chemical Physics 71 (1979) 1718–1721; doi:10.1063/1.438523

data_9012489
_publ_section_title
;
 Effect of pressure on bonding in black phosphorus
 Locality: synthetic
 Sample: at P = 1.02 GPa
 Note: pressures calculated from the measured unit cell volume
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              1718
_journal_page_last               1721
_journal_paper_doi               10.1063/1.438523
_journal_volume                  71
_journal_year                    1979
_chemical_formula_sum            P
_chemical_name_common            Phosphorus
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.3109
_cell_length_b                   10.319
_cell_formula_units_Z            8
_cell_length_c                   4.317
_cell_volume                     147.491
_diffrn_ambient_pressure         1.02e+06
_exptl_crystal_density_diffrn    2.790
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9012489
_database_code_amcsd 0013011
Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.27 GPa Note: pressures calculated from the measured unit cell volume
Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.; Journal of Chemical Physics 71 (1979) 1718–1721; doi:10.1063/1.438523

data_9012490
_publ_section_title
;
 Effect of pressure on bonding in black phosphorus
 Locality: synthetic
 Sample: at P = 1.27 GPa
 Note: pressures calculated from the measured unit cell volume
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              1718
_journal_page_last               1721
_journal_paper_doi               10.1063/1.438523
_journal_volume                  71
_journal_year                    1979
_chemical_formula_sum            P
_chemical_name_common            Phosphorus
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.3109
_cell_length_b                   10.209
_cell_formula_units_Z            8
_cell_length_c                   4.302
_cell_volume                     145.412
_diffrn_ambient_pressure         1.27e+06
_exptl_crystal_density_diffrn    2.830
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9012490
_database_code_amcsd 0013012
Effect of pressure on bonding in black phosphorus Locality: synthetic Sample: at P = 1.51 GPa Note: pressures calculated from the measured unit cell volume
Cartz, L.; Srinivasa, S. R.; Riedner, R. J.; Jorgensen, J. D.; Worlton, T. G.; Journal of Chemical Physics 71 (1979) 1718–1721; doi:10.1063/1.438523

data_9012491
_publ_section_title
;
 Effect of pressure on bonding in black phosphorus
 Locality: synthetic
 Sample: at P = 1.51 GPa
 Note: pressures calculated from the measured unit cell volume
;
_journal_name_full               'Journal of Chemical Physics'
_journal_page_first              1718
_journal_page_last               1721
_journal_paper_doi               10.1063/1.438523
_journal_volume                  71
_journal_year                    1979
_chemical_formula_sum            P
_chemical_name_common            Phosphorus
_space_group_IT_number           64
_space_group_name_Hall           '-C 2ac 2'
_space_group_name_H-M_alt        'C m c e'
_symmetry_space_group_name_Hall  '-C 2ac 2'
_symmetry_space_group_name_H-M   'C m c e'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.3116
_cell_length_b                   10.260
_cell_formula_units_Z            8
_cell_length_c                   4.289
_cell_volume                     145.727
_diffrn_ambient_pressure         1.51e+06
_exptl_crystal_density_diffrn    2.824
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9012491
_database_code_amcsd 0013013