LMucko/crystallography-open-database huggingface dataset:
Structure of the alpha and beta forms of solid He Sample: at T = 1.9 K & P = .01 GPa Note: structure known as the alpha form
Schuch, A. F.; Grilly, E. R.; Mills, R. L.; Physical Review 110 (1958) 775–775; doi:10.1103/PhysRev.110.775

data_9011631
_publ_section_title
;
 Structure of the alpha and beta forms of solid He
 Sample: at T = 1.9 K & P = .01 GPa
 Note: structure known as the alpha form
;
_journal_name_full               'Physical Review'
_journal_page_first              775
_journal_page_last               775
_journal_paper_doi               10.1103/PhysRev.110.775
_journal_volume                  110
_journal_year                    1958
_chemical_compound_source        Synthetic
_chemical_formula_sum            He
_chemical_name_common            Helium
_chemical_name_mineral           Helium
_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                   4.01
_cell_length_b                   4.01
_cell_length_c                   4.01
_cell_formula_units_Z            2
_cell_volume                     64.481
_database_code_amcsd             0015153
_diffrn_ambient_pressure         10000
_diffrn_ambient_temperature      1.9
_exptl_crystal_density_diffrn    0.206
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011631
Structure of the alpha and beta forms of solid He Sample: at T = 3.3 K & P = .018 GPa Note: structure known as the beta form
Schuch, A. F.; Grilly, E. R.; Mills, R. L.; Physical Review 110 (1958) 775–775; doi:10.1103/PhysRev.110.775

data_9011632
_publ_section_title
;
 Structure of the alpha and beta forms of solid He
 Sample: at T = 3.3 K & P = .018 GPa
 Note: structure known as the beta form
;
_journal_name_full               'Physical Review'
_journal_page_first              775
_journal_page_last               775
_journal_paper_doi               10.1103/PhysRev.110.775
_journal_volume                  110
_journal_year                    1958
_chemical_compound_source        Synthetic
_chemical_formula_sum            He
_chemical_name_common            Helium
_chemical_name_mineral           Helium
_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                   3.46
_cell_length_b                   3.46
_cell_length_c                   5.60
_cell_formula_units_Z            2
_cell_volume                     58.059
_database_code_amcsd             0015154
_diffrn_ambient_pressure         18000
_diffrn_ambient_temperature      3.3
_exptl_crystal_density_diffrn    0.229
_cod_database_code               9011632
Measurement of the lattice constants of neon isotopes in the temperature range 4-24 K Locality: synthetic Sample: at T = 4.2 K Note: this is isotope 20 Ne
Bolz, L. H.; Mauer, F. A.; Physical Review 111 (1962) 242–249; doi:

data_9011633
_publ_section_title
;Measurement of the lattice constants of neon isotopes in the temperature
 range 4-24 K Locality: synthetic Sample: at T = 4.2 K Note: this is isotope
 20 Ne
;
_journal_name_full               'Physical Review'
_journal_page_first              242
_journal_page_last               249
_journal_volume                  111
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ne
_chemical_name_common            Neon
_chemical_name_mineral           Neon
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.462
_cell_length_b                   4.462
_cell_length_c                   4.462
_cell_formula_units_Z            4
_cell_volume                     88.836
_database_code_amcsd             0015156
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    1.509
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9011633
Measurement of the lattice constants of neon isotopes in the temperature range 4-24 K Locality: synthetic Sample: at T = 4.2 K Note: this is isotope 22 Ne
Bolz, L. H.; Mauer, F. A.; Physical Review 111 (1962) 242–249; doi:

data_9011634
_publ_section_title
;Measurement of the lattice constants of neon isotopes in the temperature
 range 4-24 K Locality: synthetic Sample: at T = 4.2 K Note: this is isotope
 22 Ne
;
_journal_name_full               'Physical Review'
_journal_page_first              242
_journal_page_last               249
_journal_volume                  111
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ne
_chemical_name_common            Neon
_chemical_name_mineral           Neon
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.454
_cell_length_b                   4.454
_cell_length_c                   4.454
_cell_formula_units_Z            4
_cell_volume                     88.359
_database_code_amcsd             0015157
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    1.517
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9011634
Atomic distribution in liquid and solid neon and solid argon by neutron diffraction Locality: synthetic Sample: at T = 4.2 K
Henshaw, D. G.; Physical Review 111 (1958) 1470–1475; doi:10.1103/PhysRev.111.1470

data_9011635
_publ_section_title
;Atomic distribution in liquid and solid neon and solid argon by neutron
 diffraction Locality: synthetic Sample: at T = 4.2 K
;
_journal_name_full               'Physical Review'
_journal_page_first              1470
_journal_page_last               1475
_journal_paper_doi               10.1103/PhysRev.111.1470
_journal_volume                  111
_journal_year                    1958
_chemical_compound_source        Synthetic
_chemical_formula_sum            Ar
_chemical_name_common            Argon
_chemical_name_mineral           Argon
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.25
_cell_length_b                   5.25
_cell_length_c                   5.25
_cell_formula_units_Z            4
_cell_volume                     144.703
_database_code_amcsd             0015155
_diffrn_ambient_temperature      4.2
_exptl_crystal_density_diffrn    1.834
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9011635
New allotropic form of He3 Sample: at T = 18.76 K & P = .171 GPa
Schuch, A. F.; Mills, R. L.; Physical Review Letters 6 (1961) 596–597; doi:10.1103/PhysRevLett.6.596

data_9011636
_publ_section_title
;
 New allotropic form of He3
 Sample: at T = 18.76 K & P = .171 GPa
;
_journal_name_full               'Physical Review Letters'
_journal_page_first              596
_journal_page_last               597
_journal_paper_doi               10.1103/PhysRevLett.6.596
_journal_volume                  6
_journal_year                    1961
_chemical_compound_source        Synthetic
_chemical_formula_sum            He
_chemical_name_common            Helium
_chemical_name_mineral           Helium
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.242
_cell_length_b                   4.242
_cell_length_c                   4.242
_cell_formula_units_Z            4
_cell_volume                     76.333
_database_code_amcsd             0015271
_diffrn_ambient_pressure         1.71e+05
_diffrn_ambient_temperature      18.76
_exptl_crystal_density_diffrn    0.348
_cod_original_sg_symbol_H-M      'F m 3 m'
_cod_database_code               9011636
New allotropic form of He3 Sample: at T = 15.98 K & P = .136 GPa
Schuch, A. F.; Mills, R. L.; Physical Review Letters 6 (1961) 596–597; doi:10.1103/PhysRevLett.6.596

data_9011637
_publ_section_title
;
 New allotropic form of He3
 Sample: at T = 15.98 K & P = .136 GPa
;
_journal_name_full               'Physical Review Letters'
_journal_page_first              596
_journal_page_last               597
_journal_paper_doi               10.1103/PhysRevLett.6.596
_journal_volume                  6
_journal_year                    1961
_chemical_compound_source        Synthetic
_chemical_formula_sum            He
_chemical_name_common            Helium
_chemical_name_mineral           Helium
_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                   3.046
_cell_length_b                   3.046
_cell_length_c                   4.986
_cell_formula_units_Z            2
_cell_volume                     40.063
_database_code_amcsd             0015272
_diffrn_ambient_pressure         1.36e+05
_diffrn_ambient_temperature      15.98
_exptl_crystal_density_diffrn    0.332
_cod_database_code               9011637
Structure of the gamma form of solid He4 Sample: at T = 1.73 K & P = .003 GPa Note: structure known as gamma phase
Schuch, A. F.; Mills, R. L.; Physical Review Letters 8 (1962) 469–470; doi:10.1103/PhysRevLett.8.469

data_9011638
_publ_section_title
;
 Structure of the gamma form of solid He4
 Sample: at T = 1.73 K & P = .003 GPa
 Note: structure known as gamma phase
;
_journal_name_full               'Physical Review Letters'
_journal_page_first              469
_journal_page_last               470
_journal_paper_doi               10.1103/PhysRevLett.8.469
_journal_volume                  8
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            He
_chemical_name_common            Helium
_chemical_name_mineral           Helium
_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                   4.11
_cell_length_b                   4.11
_cell_length_c                   4.11
_cell_formula_units_Z            2
_cell_volume                     69.427
_database_code_amcsd             0015273
_diffrn_ambient_pressure         3000
_diffrn_ambient_temperature      1.73
_exptl_crystal_density_diffrn    0.191
_cod_original_sg_symbol_H-M      'I m 3 m'
_cod_database_code               9011638
Structure of the gamma form of solid He4 Sample: at T = 1.73 K & P = .003 GPa
Schuch, A. F.; Mills, R. L.; Physical Review Letters 8 (1962) 469–470; doi:10.1103/PhysRevLett.8.469

data_9011639
_publ_section_title
;
 Structure of the gamma form of solid He4
 Sample: at T = 1.73 K & P = .003 GPa
;
_journal_name_full               'Physical Review Letters'
_journal_page_first              469
_journal_page_last               470
_journal_paper_doi               10.1103/PhysRevLett.8.469
_journal_volume                  8
_journal_year                    1962
_chemical_compound_source        Synthetic
_chemical_formula_sum            He
_chemical_name_common            Helium
_chemical_name_mineral           Helium
_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                   3.650
_cell_length_b                   3.650
_cell_length_c                   5.945
_cell_formula_units_Z            2
_cell_volume                     68.591
_database_code_amcsd             0015274
_diffrn_ambient_pressure         3000
_diffrn_ambient_temperature      1.73
_exptl_crystal_density_diffrn    0.194
_cod_database_code               9011639
Beta-Po phase of sulfur at 162 GPa: X-ray diffraction study to 212 GPa Sample: at P = 206.5 GPa Note: this is known as the Beta-Po phase of sulfur, stable above 162 GPa
Luo, H.; Greene, R. G.; Ruoff, A. L.; Physical Review Letters 71 (1993) 2943–2946; doi:10.1103/PhysRevLett.71.2943

data_9011640
_publ_section_title
;
 Beta-Po phase of sulfur at 162 GPa: X-ray diffraction study to 212 GPa
 Sample: at P = 206.5 GPa
 Note: this is known as the Beta-Po phase of sulfur, stable above 162 GPa
;
_journal_name_full               'Physical Review Letters'
_journal_page_first              2943
_journal_page_last               2946
_journal_paper_doi               10.1103/PhysRevLett.71.2943
_journal_volume                  71
_journal_year                    1993
_chemical_compound_source        Synthetic
_chemical_formula_sum            S
_chemical_name_common            Sulfur
_chemical_name_mineral           Sulfur
_space_group_IT_number           166
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   3.277
_cell_length_b                   3.277
_cell_length_c                   2.584
_cell_formula_units_Z            3
_cell_volume                     24.031
_database_code_amcsd             0015277
_diffrn_ambient_pressure         2.065e+08
_exptl_crystal_density_diffrn    6.647
_cod_original_sg_symbol_H-M      'R -3 m'
_cod_database_code               9011640
Crystal structure of cesium-V Locality: synthetic Sample: at P = 12 GPa Note: phase V
Schwarz, U.; Takemura, K.; Hanfland, M.; Syassen, K.; Physical Review Letters 81 (1998) 2711–2714; doi:10.1103/PhysRevLett.81.2711

data_9011641
_publ_section_title
;
 Crystal structure of cesium-V
 Locality: synthetic
 Sample: at P = 12 GPa
 Note: phase V
;
_journal_name_full               'Physical Review Letters'
_journal_page_first              2711
_journal_page_last               2714
_journal_paper_doi               10.1103/PhysRevLett.81.2711
_journal_volume                  81
_journal_year                    1998
_chemical_formula_sum            Cs
_chemical_name_common            Cesium
_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                   11.205
_cell_length_b                   6.626
_cell_length_c                   6.595
_cell_formula_units_Z            16
_cell_volume                     489.641
_diffrn_ambient_pressure         1.2e+07
_exptl_crystal_density_diffrn    7.212
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9011641
_database_code_amcsd 0015278
Crystal structure of cesium-V Locality: synthetic Sample: at P = 19.6 GPa Note: phase V
Schwarz, U.; Takemura, K.; Hanfland, M.; Syassen, K.; Physical Review Letters 81 (1998) 2711–2714; doi:10.1103/PhysRevLett.81.2711

data_9011642
_publ_section_title
;
 Crystal structure of cesium-V
 Locality: synthetic
 Sample: at P = 19.6 GPa
 Note: phase V
;
_journal_name_full               'Physical Review Letters'
_journal_page_first              2711
_journal_page_last               2714
_journal_paper_doi               10.1103/PhysRevLett.81.2711
_journal_volume                  81
_journal_year                    1998
_chemical_formula_sum            Cs
_chemical_name_common            Cesium
_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                   10.879
_cell_length_b                   6.443
_cell_length_c                   6.389
_cell_formula_units_Z            16
_cell_volume                     447.827
_diffrn_ambient_pressure         1.96e+07
_exptl_crystal_density_diffrn    7.885
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9011642
_database_code_amcsd 0015279
Crystal structure of cesium-V Locality: synthetic Sample: at P = 25.8 GPa Note: phase V
Schwarz, U.; Takemura, K.; Hanfland, M.; Syassen, K.; Physical Review Letters 81 (1998) 2711–2714; doi:10.1103/PhysRevLett.81.2711

data_9011643
_publ_section_title
;
 Crystal structure of cesium-V
 Locality: synthetic
 Sample: at P = 25.8 GPa
 Note: phase V
;
_journal_name_full               'Physical Review Letters'
_journal_page_first              2711
_journal_page_last               2714
_journal_paper_doi               10.1103/PhysRevLett.81.2711
_journal_volume                  81
_journal_year                    1998
_chemical_formula_sum            Cs
_chemical_name_common            Cesium
_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_formula_units_Z            16
_cell_length_a                   10.641
_cell_length_b                   6.278
_cell_length_c                   6.249
_cell_volume                     417.459
_diffrn_ambient_pressure         2.58e+07
_exptl_crystal_density_diffrn    8.459
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9011643
Crystal structure of the high-pressure phase silicon VI Locality: synthetic Sample: at P = 38.4 GPa Note: phase VI
Hanfland, M.; Schwarz, U.; Syassen, K.; Takemura, K.; Physical Review Letters 82 (1999) 1197–1200; doi:10.1103/PhysRevLett.82.1197

data_9011644
_publ_section_title
;
 Crystal structure of the high-pressure phase silicon VI
 Locality: synthetic
 Sample: at P = 38.4 GPa
 Note: phase VI
;
_journal_name_full               'Physical Review Letters'
_journal_page_first              1197
_journal_page_last               1200
_journal_paper_doi               10.1103/PhysRevLett.82.1197
_journal_volume                  82
_journal_year                    1999
_chemical_formula_sum            Si
_chemical_name_common            Silicon
_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                   8.0242
_cell_length_b                   4.7961
_cell_length_c                   4.7760
_cell_formula_units_Z            16
_cell_volume                     183.804
_diffrn_ambient_pressure         3.84e+07
_exptl_crystal_density_diffrn    4.060
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9011644
_database_code_amcsd 0015281
Crystal structure of the high-pressure phase silicon VI Locality: synthetic Sample: at P = 42.5 GPa Note: phase VI
Hanfland, M.; Schwarz, U.; Syassen, K.; Takemura, K.; Physical Review Letters 82 (1999) 1197–1200; doi:10.1103/PhysRevLett.82.1197

data_9011645
_publ_section_title
;
 Crystal structure of the high-pressure phase silicon VI
 Locality: synthetic
 Sample: at P = 42.5 GPa
 Note: phase VI
;
_journal_name_full               'Physical Review Letters'
_journal_page_first              1197
_journal_page_last               1200
_journal_paper_doi               10.1103/PhysRevLett.82.1197
_journal_volume                  82
_journal_year                    1999
_chemical_formula_sum            Si
_chemical_name_common            Silicon
_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                   7.9686
_cell_length_b                   4.7759
_cell_length_c                   4.7546
_cell_formula_units_Z            16
_cell_volume                     180.947
_diffrn_ambient_pressure         4.25e+07
_exptl_crystal_density_diffrn    4.124
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9011645
_database_code_amcsd 0015282
Crystal structure of the high-pressure phase silicon VI Locality: synthetic Sample: at P = 45.5 GPa Note: phase VI
Hanfland, M.; Schwarz, U.; Syassen, K.; Takemura, K.; Physical Review Letters 82 (1999) 1197–1200; doi:10.1103/PhysRevLett.82.1197

data_9011646
_publ_section_title
;
 Crystal structure of the high-pressure phase silicon VI
 Locality: synthetic
 Sample: at P = 45.5 GPa
 Note: phase VI
;
_journal_name_full               'Physical Review Letters'
_journal_page_first              1197
_journal_page_last               1200
_journal_paper_doi               10.1103/PhysRevLett.82.1197
_journal_volume                  82
_journal_year                    1999
_chemical_formula_sum            Si
_chemical_name_common            Silicon
_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                   7.9200
_cell_length_b                   4.7586
_cell_length_c                   4.7361
_cell_formula_units_Z            16
_cell_volume                     178.495
_diffrn_ambient_pressure         4.55e+07
_exptl_crystal_density_diffrn    4.180
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               9011646
_database_code_amcsd 0015283
Neutron-Diffraction determination of the crystal structure and magnetic form factor of gamma-oxygen Sample: at T = 46 K Note: gamma phase, stable between 44 K & 55 K
Cox, D. E.; Samuelsen, E. J.; Ceckurts, K. H.; Physical Review B 7 (1973) 3102–3111; doi:10.1103/PhysRevB.7.3102

data_9011647
_publ_section_title
;
 Neutron-Diffraction determination of the crystal structure and magnetic form
 factor of gamma-oxygen
 Sample: at T = 46 K
 Note: gamma phase, stable between 44 K & 55 K
;
_journal_name_full               'Physical Review B'
_journal_page_first              3102
_journal_page_last               3111
_journal_paper_doi               10.1103/PhysRevB.7.3102
_journal_volume                  7
_journal_year                    1973
_chemical_compound_source        Synthetic
_chemical_formula_sum            O2
_chemical_name_common            Oxygen
_chemical_name_mineral           Oxygen
_space_group_IT_number           223
_symmetry_space_group_name_Hall  '-P 4n 2 3'
_symmetry_space_group_name_H-M   'P m -3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   6.78
_cell_length_b                   6.78
_cell_length_c                   6.78
_cell_formula_units_Z            8
_cell_volume                     311.666
_database_code_amcsd             0015160
_diffrn_ambient_temperature      46
_exptl_crystal_density_diffrn    1.364
_cod_original_sg_symbol_H-M      'P m 3 n'
_cod_original_formula_sum        O.25
_cod_database_code               9011647