LMucko/crystallography-open-database huggingface dataset:
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000506
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H14 Li2'
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 109.6780931179
_cell_angle_gamma                90.0000000000
_cell_length_a                   5.8034362601
_cell_length_b                   3.3272184838
_cell_length_c                   5.7772720026
_cell_volume                     105.040
_cod_database_code               3000506
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000507
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H15 Li2'
_space_group_name_Hall           '-C 2c 2'
_space_group_name_H-M_alt        'C m c m'
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 90.0000000000
_cell_angle_gamma                90.0000000000
_cell_length_a                   3.8576169297
_cell_length_b                   10.0079109442
_cell_length_c                   5.5533020220
_cell_volume                     214.395
_cod_database_code               3000507
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000508
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H16 Li2'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                85.4824055231
_cell_angle_beta                 85.4832831124
_cell_angle_gamma                62.2246124373
_cell_length_a                   3.2864299731
_cell_length_b                   3.2935254612
_cell_length_c                   6.0428269859
_cell_volume                     57.626
_cod_database_code               3000508
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000509
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H17 Li2'
_space_group_name_Hall           'P 3 -2"'
_space_group_name_H-M_alt        'P 3 m 1'
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 90.0000000000
_cell_angle_gamma                120.0000000000
_cell_length_a                   3.2457701792
_cell_length_b                   3.2457701792
_cell_length_c                   6.4519585000
_cell_volume                     58.865
_cod_database_code               3000509
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000510
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H18 Li2'
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_cell_angle_alpha                93.4129676445
_cell_angle_beta                 92.6741807599
_cell_angle_gamma                118.0008341338
_cell_length_a                   3.1780245546
_cell_length_b                   3.3129682368
_cell_length_c                   6.6924093442
_cell_volume                     61.881
_cod_database_code               3000510
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000511
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H19 Li2'
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_cell_angle_alpha                104.6011036618
_cell_angle_beta                 92.4237581021
_cell_angle_gamma                91.0214447333
_cell_length_a                   4.3150742623
_cell_length_b                   5.3890398642
_cell_length_c                   5.6313982288
_cell_volume                     126.556
_cod_database_code               3000511
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000512
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H20 Li2'
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 112.1972805618
_cell_angle_gamma                90.0000000000
_cell_length_a                   8.2539141710
_cell_length_b                   5.2237817354
_cell_length_c                   3.2626816010
_cell_volume                     130.250
_cod_database_code               3000512
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000513
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H10 Li2'
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 90.4192663896
_cell_angle_gamma                90.0000000000
_cell_length_a                   9.1217604128
_cell_length_b                   3.0050931446
_cell_length_c                   2.5517059000
_cell_volume                     69.945
_cod_database_code               3000513
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000514
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H11 Li2'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                80.4388891375
_cell_angle_beta                 73.3125435233
_cell_angle_gamma                77.8528986786
_cell_length_a                   3.3641408071
_cell_length_b                   4.5296552921
_cell_length_c                   5.0790519700
_cell_volume                     72.014
_cod_database_code               3000514
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000515
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H12 Li2'
_space_group_name_Hall           '-P 2yb'
_space_group_name_H-M_alt        'P 1 21/m 1'
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 96.0404460877
_cell_angle_gamma                90.0000000000
_cell_length_a                   2.8095242286
_cell_length_b                   3.1151525000
_cell_length_c                   8.7980094650
_cell_volume                     76.574
_cod_database_code               3000515
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000516
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H13 Li2'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                77.6523748800
_cell_angle_beta                 86.2504694758
_cell_angle_gamma                78.4451275314
_cell_length_a                   3.3622512551
_cell_length_b                   3.3797386459
_cell_length_c                   7.2479800914
_cell_volume                     78.805
_cod_database_code               3000516
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000517
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H14 Li2'
_space_group_name_Hall           'P 2ac -2'
_space_group_name_H-M_alt        'P m n 21'
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 90.0000000000
_cell_angle_gamma                90.0000000000
_cell_length_a                   3.2144010023
_cell_length_b                   2.6988172627
_cell_length_c                   9.4693509838
_cell_volume                     82.147
_cod_database_code               3000517
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000518
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H15 Li2'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                69.3704906721
_cell_angle_beta                 87.8437847173
_cell_angle_gamma                87.2988146994
_cell_length_a                   3.2473690430
_cell_length_b                   4.7834629405
_cell_length_c                   5.9344354713
_cell_volume                     86.155
_cod_database_code               3000518
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000519
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H16 Li2'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                89.9255654461
_cell_angle_beta                 89.6979311332
_cell_angle_gamma                71.7403219729
_cell_length_a                   3.8771608241
_cell_length_b                   4.8696054472
_cell_length_c                   4.9060876647
_cell_volume                     87.963
_cod_database_code               3000519
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000520
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H17 Li2'
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 123.7972027075
_cell_angle_gamma                90.0000000000
_cell_length_a                   8.5724180820
_cell_length_b                   5.0030549467
_cell_length_c                   5.0554089632
_cell_volume                     180.178
_cod_database_code               3000520
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000521
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H18 Li2'
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 90.5912087452
_cell_angle_gamma                90.0000000000
_cell_length_a                   5.3212847455
_cell_length_b                   2.9565761409
_cell_length_c                   6.0844790991
_cell_volume                     95.721
_cod_database_code               3000521
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000522
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H19 Li2'
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_cell_angle_alpha                75.2483236395
_cell_angle_beta                 89.8770337511
_cell_angle_gamma                88.8350617356
_cell_length_a                   3.9604020260
_cell_length_b                   5.0028828882
_cell_length_c                   5.1492912723
_cell_volume                     98.641
_cod_database_code               3000522
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000523
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H20 Li2'
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 112.2287084117
_cell_angle_gamma                90.0000000000
_cell_length_a                   7.5950187936
_cell_length_b                   4.8491606860
_cell_length_c                   3.0055606875
_cell_volume                     102.467
_cod_database_code               3000523
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000524
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H10 Li2'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                106.4174608807
_cell_angle_beta                 101.3377547671
_cell_angle_gamma                98.3602411735
_cell_length_a                   2.6313028390
_cell_length_b                   4.5638111038
_cell_length_c                   5.4189031674
_cell_volume                     59.790
_cod_database_code               3000524
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000525
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H12 Li2'
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 100.2659103723
_cell_angle_gamma                90.0000000000
_cell_length_a                   3.1727086175
_cell_length_b                   9.1790133000
_cell_length_c                   4.5444484736
_cell_volume                     130.226
_cod_database_code               3000525
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000526
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H13 Li2'
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_cell_angle_alpha                85.4132719985
_cell_angle_beta                 74.7995311255
_cell_angle_gamma                71.0440559429
_cell_length_a                   3.2011889273
_cell_length_b                   3.9298681526
_cell_length_c                   5.9369852475
_cell_volume                     68.166
_cod_database_code               3000526
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000527
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H14 Li2'
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_cell_angle_alpha                89.9755272591
_cell_angle_beta                 71.0846661280
_cell_angle_gamma                89.3736644650
_cell_length_a                   3.3322711007
_cell_length_b                   4.7121240929
_cell_length_c                   4.7300852396
_cell_volume                     70.257
_cod_database_code               3000527
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000528
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H15 Li2'
_space_group_name_Hall           'P 1'
_space_group_name_H-M_alt        'P 1'
_cell_angle_alpha                90.7335637768
_cell_angle_beta                 119.4388891747
_cell_angle_gamma                119.4556829275
_cell_length_a                   4.6523687480
_cell_length_b                   4.6765226714
_cell_length_c                   4.6796281591
_cell_volume                     72.729
_cod_database_code               3000528
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000529
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H18 Li2'
_space_group_name_Hall           'A 2 -2b'
_space_group_name_H-M_alt        'A e m 2'
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 90.0000000000
_cell_angle_gamma                90.0000000000
_cell_length_a                   3.9924453000
_cell_length_b                   4.8553660000
_cell_length_c                   8.4194306000
_cell_volume                     163.209
_cod_database_code               3000529
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000530
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H19 Li2'
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_cell_angle_alpha                97.6721634520
_cell_angle_beta                 102.0563652552
_cell_angle_gamma                90.8499555102
_cell_length_a                   3.0425759362
_cell_length_b                   4.7144674481
_cell_length_c                   6.0906114062
_cell_volume                     84.590
_cod_database_code               3000530
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000531
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H20 Li2'
_space_group_name_Hall           '-I 2 2'
_space_group_name_H-M_alt        'I m m m'
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 90.0000000000
_cell_angle_gamma                90.0000000000
_cell_length_a                   4.6275503048
_cell_length_b                   6.6666517823
_cell_length_c                   2.8634423232
_cell_volume                     88.338
_cod_database_code               3000531
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Morgan Redington; To be published in Chemistry of Materials  () –; doi:

data_3000532
_journal_name_full               'To be published in Chemistry of Materials'
_chemical_formula_sum            'Ca H16 Li2'
_space_group_name_Hall           'C -2y'
_space_group_name_H-M_alt        'C 1 m 1'
_cell_angle_alpha                90.0000000000
_cell_angle_beta                 125.0398547706
_cell_angle_gamma                90.0000000000
_cell_length_a                   8.1978112023
_cell_length_b                   4.7138911000
_cell_length_c                   4.7627312230
_cell_volume                     150.691
_cod_database_code               3000532
_cod_hold_until_date             2024-11-17
_cod_depositor_requested_release_date 2024-11-17
Georgia Cametti; To be published  () –; doi:

data_3000533
_journal_name_full               'To be published'
_chemical_formula_sum            'Al4 Na4.28 O36.07 Si8'
_chemical_name_common            Na-CHA
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   13.8312(4)
_cell_length_b                   13.8312(4)
_cell_length_c                   15.1620(6)
_cell_measurement_temperature    293(2)
_cell_volume                     2511.93(14)
_diffrn_ambient_temperature      293(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.086
_refine_ls_R_factor_all          0.0480
_refine_ls_R_factor_gt           0.0428
_refine_ls_wR_factor_gt          0.1422
_refine_ls_wR_factor_ref         0.1459
_cod_database_code               3000533
_cod_hold_until_date             2024-11-29
_cod_depositor_requested_release_date 2024-11-29
Georgia Cametti; To be published  () –; doi:

data_3000534
_journal_name_full               'To be published'
_chemical_formula_sum            'Al8 Na7.62 O51.45 Si16'
_chemical_name_common            Na-CHA
_space_group_name_Hall           '-I 2y'
_space_group_name_H-M_alt        'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.754(2)
_cell_angle_gamma                90
_cell_length_a                   18.2741(4)
_cell_length_b                   13.7711(4)
_cell_length_c                   11.9077(4)
_cell_measurement_temperature    373(2)
_cell_volume                     2922.69(15)
_diffrn_ambient_temperature      373(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.073
_refine_ls_R_factor_all          0.0703
_refine_ls_R_factor_gt           0.0598
_refine_ls_wR_factor_gt          0.1742
_refine_ls_wR_factor_ref         0.1797
_cod_database_code               3000534
_cod_hold_until_date             2024-11-29
_cod_depositor_requested_release_date 2024-11-29
Georgia Cametti; To be published  () –; doi:

data_3000535
_journal_name_full               'To be published'
_chemical_formula_sum            'Al16 Na16.07 O96 Si32'
_space_group_name_Hall           '-I 2y'
_space_group_name_H-M_alt        'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.995(3)
_cell_angle_gamma                90
_cell_length_a                   18.2506(3)
_cell_length_b                   13.8793(2)
_cell_length_c                   11.8929(4)
_cell_measurement_temperature    473(2)
_cell_volume                     2935.39(12)
_diffrn_ambient_temperature      473(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_R_factor_all          0.0537
_refine_ls_R_factor_gt           0.0412
_refine_ls_wR_factor_gt          0.1164
_refine_ls_wR_factor_ref         0.1222
_cod_database_code               3000535
_cod_hold_until_date             2024-11-29
_cod_depositor_requested_release_date 2024-11-29
Georgia Cametti; To be published  () –; doi:

data_3000536
_journal_name_full               'To be published'
_chemical_formula_sum            'Al8 Na7.93 O48 Si16'
_chemical_name_common            Na-CHA
_space_group_name_Hall           '-I 2y'
_space_group_name_H-M_alt        'I 1 2/m 1'
_cell_angle_alpha                90
_cell_angle_beta                 102.890(3)
_cell_angle_gamma                90
_cell_length_a                   18.2789(6)
_cell_length_b                   13.8795(3)
_cell_length_c                   11.9023(3)
_cell_measurement_temperature    573(2)
_cell_volume                     2943.54(14)
_diffrn_ambient_temperature      573(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_refine_ls_goodness_of_fit_ref   1.054
_refine_ls_R_factor_all          0.0558
_refine_ls_R_factor_gt           0.0427
_refine_ls_wR_factor_gt          0.1223
_refine_ls_wR_factor_ref         0.1277
_cod_database_code               3000536
_cod_hold_until_date             2025-03-29
_cod_depositor_requested_release_date 2025-03-29