LMucko/crystallography-open-database huggingface dataset:
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Abrahams, S. C.; Acta Crystallographica Section B 52 (1996) 790–805; doi:10.1107/S0108768196004594

data_2101575
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'C4 Br0.3 D6 K2 N4 O3 Pt'
_space_group_IT_number           99
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   9.897(6)
_cell_length_b                   9.897(6)
_cell_length_c                   5.784(4)
_cell_volume                     566.5(6)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            an0527.cif
_cod_data_source_block           AN0527a
_cod_original_formula_sum        'C4 D6 Br0.3 K2 N4 O3 Pt'
_cod_database_code               2101575
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Abrahams, S. C.; Acta Crystallographica Section B 52 (1996) 790–805; doi:10.1107/S0108768196004594

data_2101576
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Ba Cu Fe O5 Y'
_space_group_IT_number           99
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   3.8650(10)
_cell_length_b                   3.8650(10)
_cell_length_c                   7.6425(8)
_cell_volume                     114.17(4)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            an0527.cif
_cod_data_source_block           AN0527b
_cod_database_code               2101576
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Abrahams, S. C.; Acta Crystallographica Section B 52 (1996) 790–805; doi:10.1107/S0108768196004594

data_2101577
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Ba2 O8 Si2 Ti'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   8.5270(10)
_cell_length_b                   8.5270(10)
_cell_length_c                   5.2104(9)
_cell_volume                     378.85(9)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            an0527.cif
_cod_data_source_block           AN0527c
_cod_database_code               2101577
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Abrahams, S. C.; Acta Crystallographica Section B 52 (1996) 790–805; doi:10.1107/S0108768196004594

data_2101578
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'N2 S4'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4n -2n'
_symmetry_space_group_name_H-M   'P 42 n m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   11.146(4)
_cell_length_b                   11.146(4)
_cell_length_c                   3.7730(10)
_cell_volume                     468.7(3)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            an0527.cif
_cod_data_source_block           AN0527d
_cod_database_code               2101578
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Abrahams, S. C.; Acta Crystallographica Section B 52 (1996) 790–805; doi:10.1107/S0108768196004594

data_2101579
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'As2 Ba Ge2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4c -2'
_symmetry_space_group_name_H-M   'P 42 m c'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   7.618(5)
_cell_length_b                   7.618(5)
_cell_length_c                   8.500(5)
_cell_volume                     493.3(5)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            an0527.cif
_cod_data_source_block           AN0527e
_cod_original_formula_sum        'As2 Ba1 Ge2'
_cod_database_code               2101579
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Abrahams, S. C.; Acta Crystallographica Section B 52 (1996) 790–805; doi:10.1107/S0108768196004594

data_2101580
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Pu S2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   3.943(5)
_cell_length_b                   3.943(5)
_cell_length_c                   7.962(5)
_cell_volume                     123.8(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            an0527.cif
_cod_data_source_block           AN0527f
_cod_original_formula_sum        'Pu1 S2'
_cod_database_code               2101580
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Abrahams, S. C.; Acta Crystallographica Section B 52 (1996) 790–805; doi:10.1107/S0108768196004594

data_2101581
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Cl3 Cs Eu'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   5.588(4)
_cell_length_b                   5.588(4)
_cell_length_c                   5.619(8)
_cell_volume                     175.5(3)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            an0527.cif
_cod_data_source_block           AN0527g
_cod_original_formula_sum        'Cl3 Cs1 Eu1'
_cod_database_code               2101581
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Abrahams, S. C.; Acta Crystallographica Section B 52 (1996) 790–805; doi:10.1107/S0108768196004594

data_2101582
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Nd0.33 O3 Ta'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   7.822(2)
_cell_length_b                   7.822(2)
_cell_length_c                   3.883(2)
_cell_volume                     237.58(15)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            an0527.cif
_cod_data_source_block           AN0527h
_cod_original_formula_sum        'Nd0.33 O3 Ta1'
_cod_database_code               2101582
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Abrahams, S. C.; Acta Crystallographica Section B 52 (1996) 790–805; doi:10.1107/S0108768196004594

data_2101583
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Mn0.04 Ni0.04 O3 Pb Ti0.04 Zr0.44'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2'
_symmetry_space_group_name_H-M   'P 4 m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   4.03820(10)
_cell_length_b                   4.03820(10)
_cell_length_c                   4.1057(3)
_cell_volume                     66.952(5)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            an0527.cif
_cod_data_source_block           AN0527i
_cod_original_formula_sum        'Mn0.04 Ni0.04 O3 Pb1 Ti0.04 Zr0.44'
_cod_database_code               2101583
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Abrahams, S. C.; Acta Crystallographica Section B 52 (1996) 790–805; doi:10.1107/S0108768196004594

data_2101584
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Ba Cl Cu K O7 V2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   8.8581(13)
_cell_length_b                   8.8581(13)
_cell_length_c                   5.4711(11)
_cell_volume                     429.29(12)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            an0527.cif
_cod_data_source_block           AN0527j
_cod_original_formula_sum        'Ba1 Cl1 Cu1 K1 O7 V2'
_cod_database_code               2101584
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Abrahams, S. C.; Acta Crystallographica Section B 52 (1996) 790–805; doi:10.1107/S0108768196004594

data_2101585
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Ba6 Co Nb9 O30'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   12.589
_cell_length_b                   12.589
_cell_length_c                   4.009
_cell_volume                     635.358
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            an0527.cif
_cod_data_source_block           AN0527k
_cod_original_formula_sum        'Ba6 Co1 Nb9 O30'
_cod_database_code               2101585
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Abrahams, S. C.; Acta Crystallographica Section B 52 (1996) 790–805; doi:10.1107/S0108768196004594

data_2101586
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'K2 Nb2 O14 Si4'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   8.7404(8)
_cell_length_b                   8.7404(8)
_cell_length_c                   8.136
_cell_volume                     621.55(8)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            an0527.cif
_cod_data_source_block           AN0527l
_cod_database_code               2101586
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Abrahams, S. C.; Acta Crystallographica Section B 52 (1996) 790–805; doi:10.1107/S0108768196004594

data_2101587
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Cr N Nb'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2ab'
_symmetry_space_group_name_H-M   'P 4 b m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   4.283
_cell_length_b                   4.283
_cell_length_c                   7.360
_cell_volume                     135.012
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            an0527.cif
_cod_data_source_block           AN0527m
_cod_original_formula_sum        'Cr1 N1 Nb1'
_cod_database_code               2101587
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Abrahams, S. C.; Acta Crystallographica Section B 52 (1996) 790–805; doi:10.1107/S0108768196004594

data_2101588
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'K2 O7 Zn6'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4n -2n'
_symmetry_space_group_name_H-M   'P 42 n m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   10.912
_cell_length_b                   10.912
_cell_length_c                   3.325
_cell_volume                     395.914
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            an0527.cif
_cod_data_source_block           AN0527n
_cod_database_code               2101588
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Abrahams, S. C.; Acta Crystallographica Section B 52 (1996) 790–805; doi:10.1107/S0108768196004594

data_2101589
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'O6 Se2 V'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4 -2c'
_symmetry_space_group_name_H-M   'P 4 c c'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   11.22(6)
_cell_length_b                   11.22(6)
_cell_length_c                   7.86(4)
_cell_volume                     989(9)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            an0527.cif
_cod_data_source_block           AN0527o
_cod_original_formula_sum        'O6 Se2 V1'
_cod_database_code               2101589
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Abrahams, S. C.; Acta Crystallographica Section B 52 (1996) 790–805; doi:10.1107/S0108768196004594

data_2101590
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'H3 Na O3 Zn'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'P 4c -2ab'
_symmetry_space_group_name_H-M   'P 42 b c'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   10.839(6)
_cell_length_b                   10.839(6)
_cell_length_c                   5.308(4)
_cell_volume                     623.6(7)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            an0527.cif
_cod_data_source_block           AN0527p
_cod_original_formula_sum        'H3 Na1 O3 Zn1'
_cod_database_code               2101590
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Abrahams, S. C.; Acta Crystallographica Section B 52 (1996) 790–805; doi:10.1107/S0108768196004594

data_2101591
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Mn O6 Sb Sr2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4 -2'
_symmetry_space_group_name_H-M   'I 4 m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   5.5260(10)
_cell_length_b                   5.5260(10)
_cell_length_c                   8.0390(10)
_cell_volume                     245.48(7)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            an0527.cif
_cod_data_source_block           AN0527q
_cod_original_formula_sum        'Mn1 O6 Sb1 Sr2'
_cod_database_code               2101591
New ferroelectric inorganic materials predicted in point group 4<i>mm</i>
Abrahams, S. C.; Acta Crystallographica Section B 52 (1996) 790–805; doi:10.1107/S0108768196004594

data_2101592
_publ_section_title
;
 New ferroelectric inorganic materials predicted in point group
 4<i>mm</i>
;
_journal_issue                   5
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              790
_journal_page_last               805
_journal_paper_doi               10.1107/S0108768196004594
_journal_volume                  52
_journal_year                    1996
_chemical_formula_sum            'Cu K Na2 O2'
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  'I 4 -2'
_symmetry_space_group_name_H-M   'I 4 m m'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_length_a                   4.327(3)
_cell_length_b                   4.327(3)
_cell_length_c                   10.891(5)
_cell_volume                     203.9(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_cod_data_source_file            an0527.cif
_cod_data_source_block           AN0527r
_cod_original_formula_sum        'Cu1 K1 Na2 O2'
_cod_database_code               2101592