action_type stringclasses 13
values | problem_id stringlengths 36 36 | mp_id stringlengths 6 10 | action_prompt stringlengths 39 448 | input stringlengths 1.11k 8.33k | output stringlengths 595 61.6k |
|---|---|---|---|---|---|
MoveSelectedAtomsAction | 47f0af97-264b-49d7-8349-8451058ba4ea | mp-771918 | Move atoms at indices [34, 13, 12, 28, 61, 69, 44, 10, 18, 56, 68, 59, 4, 7, 22, 52, 0, 33, 9, 6, 39, 64, 63, 53, 15, 14, 3, 21, 58, 31, 16, 43, 27, 30, 24, 35, 70, 48, 41, 49, 29, 17, 62, 23, 36, 1, 5, 8, 26, 47, 20, 11, 37, 65, 45, 19, 71, 2, 50, 54, 51, 67, 25, 32, 40, 46, 60, 55, 42, 57, 38, 66] by [-0.123 -2.608 -... | data_image0
_chemical_formula_structural Li16Mn8P8O32F8
_chemical_formula_sum "Li16 Mn8 P8 O32 F8"
_cell_length_a 5.140871
_cell_length_b 13.176346
_cell_length_c 13.18498818
_cell_angle_alpha 60.45596281000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Li16Mn8P8O32F8
_chemical_formula_sum "Li16 Mn8 P8 O32 F8"
_cell_length_a 5.140871
_cell_length_b 13.176346
_cell_length_c 13.18498818
_cell_angle_alpha 60.45596281000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
MoveSelectedAtomsAction | 7201b7e1-6358-4394-8422-90e070b4f9fd | mp-570684 | Move atoms at indices [10, 6, 7, 8, 11] by [-1.066 -0.013 2.94 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Os8
_chemical_formula_sum "Zr4 Os8"
_cell_length_a 5.2087459
_cell_length_b 5.20874741
_cell_length_c 8.58838303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000971999998
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zr4Os8
_chemical_formula_sum "Zr4 Os8"
_cell_length_a 5.2087459
_cell_length_b 5.20874741
_cell_length_c 8.58838303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000971999998
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 89e61cba-b478-40b9-bd72-81fb7c317421 | mp-1198663 | Move atoms at indices [41, 14, 29, 32, 10, 5, 9, 0, 34, 26, 37, 22, 25, 7, 20, 11, 27, 40, 24, 8, 28, 35, 36, 30, 1, 12, 44, 21, 23, 46, 33, 19, 18, 38, 15, 6, 4, 31, 39, 45, 13, 42, 2, 47, 17, 43] by [ 0.832 0.171 -0.088] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveSelectedAtomsAction | e306f9d4-899a-4c98-afe1-35a5b62800dd | mp-758066 | Move atoms at indices [12, 15, 4, 13, 28, 10, 16, 22, 27, 18, 41, 5, 45, 33, 3, 2, 11, 26, 32] by [ 2.438 1.895 -3.309] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V6P8O28
_chemical_formula_sum "Li4 V6 P8 O28"
_cell_length_a 5.338507
_cell_length_b 6.625273469999999
_cell_length_c 16.03223444
_cell_angle_alpha 81.67600264000001
_cell_angle_beta 83.46847737
_cell_angle_gamma 72.26610188
_sp... | data_image0
_chemical_formula_structural Li4V6P8O28
_chemical_formula_sum "Li4 V6 P8 O28"
_cell_length_a 5.338507
_cell_length_b 6.625273469999999
_cell_length_c 16.03223444
_cell_angle_alpha 81.67600264000001
_cell_angle_beta 83.46847737
_cell_angle_gamma 72.26610188
_sp... |
MoveSelectedAtomsAction | 2b132657-f857-4dfb-b545-5fd021db5d25 | mp-753702 | Move atoms at indices [17, 14, 25, 18, 23, 12, 9, 21, 7, 26, 19, 5, 3, 24, 4, 1, 13, 0, 27, 16] by [ 3.065 2.164 -0.535] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V4Si4O16
_chemical_formula_sum "Li4 V4 Si4 O16"
_cell_length_a 4.97352403
_cell_length_b 9.243516709999998
_cell_length_c 6.241561
_cell_angle_alpha 89.99882645000001
_cell_angle_beta 90.00073469
_cell_angle_gamma 97.01219666
_s... | data_image0
_chemical_formula_structural Li4V4Si4O16
_chemical_formula_sum "Li4 V4 Si4 O16"
_cell_length_a 4.97352403
_cell_length_b 9.243516709999998
_cell_length_c 6.241561
_cell_angle_alpha 89.99882645000001
_cell_angle_beta 90.00073469
_cell_angle_gamma 97.01219666
_s... |
MoveSelectedAtomsAction | 451d2d6a-7e68-4946-8781-682fc67f44a5 | mp-696283 | Move atoms at indices [16, 0, 13] by [0.809 1.096 2.657] angstrom in the cif file. | data_image0
_chemical_formula_structural H8S8N12O2
_chemical_formula_sum "H8 S8 N12 O2"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_group_name... | data_image0
_chemical_formula_structural H8S8N12O2
_chemical_formula_sum "H8 S8 N12 O2"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_group_name... |
MoveSelectedAtomsAction | 1a921ab3-3f53-46d3-a1c5-6baa09f83e6d | mp-1096809 | Move atoms at indices [7, 18, 14, 11, 17, 8, 9, 6, 25, 0, 13, 19, 22, 26, 15, 10, 21, 2, 27, 16] by [1.546 1.965 1.308] angstrom in the cif file. | data_image0
_chemical_formula_structural Al8Zn4S16
_chemical_formula_sum "Al8 Zn4 S16"
_cell_length_a 5.910544
_cell_length_b 7.22181
_cell_length_c 12.474986
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Al8Zn4S16
_chemical_formula_sum "Al8 Zn4 S16"
_cell_length_a 5.910544
_cell_length_b 7.22181
_cell_length_c 12.474986
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveSelectedAtomsAction | d91a8563-f246-40e1-9ebe-900bc767bdcd | mp-754713 | Move atoms at indices [23, 6, 29, 15, 25, 9, 19, 17, 2, 18, 24, 3, 27, 13, 21, 12, 10] by [ 0.494 1.262 -2.652] angstrom in the cif file. | data_image0
_chemical_formula_structural Al8Cr4O20
_chemical_formula_sum "Al8 Cr4 O20"
_cell_length_a 5.05828776
_cell_length_b 7.185476969999999
_cell_length_c 10.24938235
_cell_angle_alpha 74.62419369000001
_cell_angle_beta 82.79878355
_cell_angle_gamma 110.2480265400000... | data_image0
_chemical_formula_structural Al8Cr4O20
_chemical_formula_sum "Al8 Cr4 O20"
_cell_length_a 5.05828776
_cell_length_b 7.185476969999999
_cell_length_c 10.24938235
_cell_angle_alpha 74.62419369000001
_cell_angle_beta 82.79878355
_cell_angle_gamma 110.2480265400000... |
MoveSelectedAtomsAction | bf4ec298-48a1-485d-93ab-a605dab834bd | mp-2240560 | Move atoms at indices [2, 6, 8, 1] by [ 0.483 -0.429 2.234] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... |
MoveSelectedAtomsAction | e5c5ed2b-dbd6-459f-9f23-1b55a60cd6fe | mp-1320208 | Move atoms at indices [8, 13, 12, 5, 14, 15, 24, 23, 17] by [-0.312 2.053 -0.398] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Y2Cr6O14
_chemical_formula_sum "Ba4 Y2 Cr6 O14"
_cell_length_a 5.62234459
_cell_length_b 12.448562939999999
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta 91.54529385000001
_cell_angle_gamma 102.69469371... | data_image0
_chemical_formula_structural Ba4Y2Cr6O14
_chemical_formula_sum "Ba4 Y2 Cr6 O14"
_cell_length_a 5.62234459
_cell_length_b 12.448562939999999
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta 91.54529385000001
_cell_angle_gamma 102.69469371... |
MoveSelectedAtomsAction | 06a193cc-c962-42d0-95f0-e3682790c7e5 | mp-556409 | Move atoms at indices [22, 23, 14, 18] by [0.226 4.451 1.566] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20
_chemical_formula_sum "Ba7 Ca2 Mn5 O20"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.1467... | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20
_chemical_formula_sum "Ba7 Ca2 Mn5 O20"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.1467... |
MoveSelectedAtomsAction | 905aa606-2462-4c0f-bb00-554827e6a7d7 | mp-768771 | Move atoms at indices [36, 46, 40, 6, 33, 9, 13, 47, 39, 18, 15, 19, 34, 1, 45] by [ 2.69 -0.449 1.451] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Bi4B8O24
_chemical_formula_sum "Li12 Bi4 B8 O24"
_cell_length_a 9.188294
_cell_length_b 5.32128
_cell_length_c 12.005007730000003
_cell_angle_alpha 65.01187173
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li12Bi4B8O24
_chemical_formula_sum "Li12 Bi4 B8 O24"
_cell_length_a 9.188294
_cell_length_b 5.32128
_cell_length_c 12.005007730000003
_cell_angle_alpha 65.01187173
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 7eb05611-bbb4-4920-b399-3993fe181164 | mp-1377792 | Move atoms at indices [11, 19, 4, 6, 1, 18, 16, 15, 17, 8, 12, 2, 0, 7, 5, 3, 10, 9] by [ 0.066 -1.674 -1.043] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4V2Ir2O12
_chemical_formula_sum "Mg4 V2 Ir2 O12"
_cell_length_a 5.275469
_cell_length_b 5.115261
_cell_length_c 9.03851202
_cell_angle_alpha 55.72667628
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg4V2Ir2O12
_chemical_formula_sum "Mg4 V2 Ir2 O12"
_cell_length_a 5.275469
_cell_length_b 5.115261
_cell_length_c 9.03851202
_cell_angle_alpha 55.72667628
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 1198d60d-09e7-4987-bf41-6ae264b30439 | mp-764815 | Move atoms at indices [9, 17, 23, 2, 26, 19, 22, 5, 7, 15] by [-2.664 -0.138 2.01 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Fe8B8O24
_chemical_formula_sum "Li3 Fe8 B8 O24"
_cell_length_a 5.255842
_cell_length_b 5.27095882
_cell_length_c 20.07931436
_cell_angle_alpha 90.31009899
_cell_angle_beta 90.40631797
_cell_angle_gamma 119.25181349
_space_group_... | data_image0
_chemical_formula_structural Li3Fe8B8O24
_chemical_formula_sum "Li3 Fe8 B8 O24"
_cell_length_a 5.255842
_cell_length_b 5.27095882
_cell_length_c 20.07931436
_cell_angle_alpha 90.31009899
_cell_angle_beta 90.40631797
_cell_angle_gamma 119.25181349
_space_group_... |
MoveSelectedAtomsAction | 33cedcd0-1c76-4694-b436-9eacbdce97df | mp-3887 | Move atoms at indices [4, 39, 45, 6, 20, 2, 1, 43, 42, 0, 24, 3, 30, 35, 36, 29, 18, 17, 5, 31, 9, 11, 34, 41, 7, 37, 38, 15, 26, 22, 8, 44, 12, 23, 16, 27, 14, 19, 47, 13, 46, 21, 25, 32, 40, 10, 28, 33] by [ 2.482 0.393 -0.458] angstrom in the cif file. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... |
MoveSelectedAtomsAction | a79f1757-b69d-432f-8f62-c609b442d6d5 | mp-1210568 | Move atoms at indices [7, 11, 0, 13, 10, 16, 17, 9, 6, 14, 4, 1, 15, 8, 2, 5] by [ 1.32 -4.429 -1.257] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu12Co4Sn2
_chemical_formula_sum "Lu12 Co4 Sn2"
_cell_length_a 8.12214077
_cell_length_b 8.12212615
_cell_length_c 8.12215372
_cell_angle_alpha 111.34907923
_cell_angle_beta 109.57515188
_cell_angle_gamma 107.51213659
_space_group_... | data_image0
_chemical_formula_structural Lu12Co4Sn2
_chemical_formula_sum "Lu12 Co4 Sn2"
_cell_length_a 8.12214077
_cell_length_b 8.12212615
_cell_length_c 8.12215372
_cell_angle_alpha 111.34907923
_cell_angle_beta 109.57515188
_cell_angle_gamma 107.51213659
_space_group_... |
MoveSelectedAtomsAction | 3ac99bd1-e19b-41df-b033-6287bedd14e9 | mp-1356795 | Move atoms at indices [11, 15, 28, 21, 9, 17, 25, 33, 35, 7, 16, 10, 18, 0, 23, 5, 30, 34, 8, 14, 24, 13, 19, 22, 20, 27] by [ 3.155 0.925 -0.664] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn6Bi4P4O24
_chemical_formula_sum "Zn6 Bi4 P4 O24"
_cell_length_a 5.253354
_cell_length_b 7.938561
_cell_length_c 12.044391
_cell_angle_alpha 88.87129292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zn6Bi4P4O24
_chemical_formula_sum "Zn6 Bi4 P4 O24"
_cell_length_a 5.253354
_cell_length_b 7.938561
_cell_length_c 12.044391
_cell_angle_alpha 88.87129292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 2cf25cfb-b2fc-4ca3-a3c9-c37eaab6bc78 | mp-1027815 | Move atoms at indices [10, 12, 0, 3, 7, 11, 14, 1, 6, 5] by [ 2.352 -1.09 0.591] angstrom in the cif file. | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 22ccc022-c06a-4453-b080-21c2d775983d | mp-18292 | Move atoms at indices [18, 21, 7, 13, 6, 15, 19, 17] by [0.883 2.233 1.363] angstrom in the cif file. | data_image0
_chemical_formula_structural La8Mn2S12O2
_chemical_formula_sum "La8 Mn2 S12 O2"
_cell_length_a 9.5080546
_cell_length_b 9.5080546
_cell_length_c 6.865941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000419000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural La8Mn2S12O2
_chemical_formula_sum "La8 Mn2 S12 O2"
_cell_length_a 9.5080546
_cell_length_b 9.5080546
_cell_length_c 6.865941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000419000001
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | af3b1887-7138-4a48-8c44-9a5fd2105949 | mp-1210133 | Move atoms at indices [8, 16, 22, 32, 31, 19, 24, 0, 38, 11, 27, 35, 6, 9, 17, 42, 12, 13, 36, 25, 33, 5, 18, 10, 39, 29] by [ 2.359 -2.105 -5.557] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 1545385b-9d0a-4b19-8096-3c20b2ad514a | mp-1233053 | Move atoms at indices [7, 16] by [ 0.719 1.411 -0.951] angstrom in the cif file. | data_image0
_chemical_formula_structural MgV8O8F8
_chemical_formula_sum "Mg1 V8 O8 F8"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_grou... | data_image0
_chemical_formula_structural MgV8O8F8
_chemical_formula_sum "Mg1 V8 O8 F8"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_grou... |
MoveSelectedAtomsAction | d00548b7-c4c5-4dba-b933-3f481102edb2 | mp-27888 | Move atoms at indices [10] by [-1.241 0.866 0.716] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr3GeO8
_chemical_formula_sum "Zr3 Ge1 O8"
_cell_length_a 5.01459289
_cell_length_b 5.01458845
_cell_length_c 6.33418319
_cell_angle_alpha 113.31969382
_cell_angle_beta 113.32013782
_cell_angle_gamma 90.00120143000001
_space_group_... | data_image0
_chemical_formula_structural Zr3GeO8
_chemical_formula_sum "Zr3 Ge1 O8"
_cell_length_a 5.01459289
_cell_length_b 5.01458845
_cell_length_c 6.33418319
_cell_angle_alpha 113.31969382
_cell_angle_beta 113.32013782
_cell_angle_gamma 90.00120143000001
_space_group_... |
MoveSelectedAtomsAction | d8609d3f-325a-4479-9d3b-4939d2c00f41 | mp-1176929 | Move atoms at indices [7, 63, 71, 14, 64, 83, 89, 28, 16, 34] by [ 1.681 -2.755 0.867] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227000000... | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227000000... |
MoveSelectedAtomsAction | 76cabb39-ea0c-440e-8298-96fd2068d639 | mp-639682 | Move atoms at indices [28, 12, 8, 3, 5, 25, 23] by [-2.359 -0.166 -0.955] angstrom in the cif file. | data_image0
_chemical_formula_structural Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 7.19367919
_cell_length_b 7.19367919
_cell_length_c 12.12717244
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 7.19367919
_cell_length_b 7.19367919
_cell_length_c 12.12717244
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveSelectedAtomsAction | ff3f65d0-88f7-41c3-97c0-0a5652236a88 | mp-757139 | Move atoms at indices [28, 3, 16, 14, 39, 21] by [ 1.66 1.176 -1.101] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6TiMn3P6O24
_chemical_formula_sum "Li6 Ti1 Mn3 P6 O24"
_cell_length_a 8.620037
_cell_length_b 8.65660093
_cell_length_c 8.76631981
_cell_angle_alpha 61.44259836
_cell_angle_beta 61.38097025
_cell_angle_gamma 61.406440620000005
_s... | data_image0
_chemical_formula_structural Li6TiMn3P6O24
_chemical_formula_sum "Li6 Ti1 Mn3 P6 O24"
_cell_length_a 8.620037
_cell_length_b 8.65660093
_cell_length_c 8.76631981
_cell_angle_alpha 61.44259836
_cell_angle_beta 61.38097025
_cell_angle_gamma 61.406440620000005
_s... |
MoveSelectedAtomsAction | ff3e339f-a7e7-4d43-be9d-94c916c8f67a | mp-1099221 | Move atoms at indices [6, 7, 0, 4, 13, 8, 3, 5] by [ 0.123 2.217 -0.842] angstrom in the cif file. | data_image0
_chemical_formula_structural CsMg6BO7
_chemical_formula_sum "Cs1 Mg6 B1 O7"
_cell_length_a 4.876208
_cell_length_b 4.876208
_cell_length_c 7.931088
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural CsMg6BO7
_chemical_formula_sum "Cs1 Mg6 B1 O7"
_cell_length_a 4.876208
_cell_length_b 4.876208
_cell_length_c 7.931088
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
MoveSelectedAtomsAction | 8466021e-191c-49fd-a83b-efb8daa911c4 | mp-1043461 | Move atoms at indices [49, 50, 9, 24, 26, 7, 6, 51, 1, 45, 41, 32, 46, 0, 20, 30, 22, 19, 42, 23, 43, 10, 13, 17, 21, 33, 16, 25, 39, 40, 3, 28, 12, 4, 15, 27, 34, 36, 11, 14, 5, 2, 44, 29, 37, 18, 8, 35, 48, 47] by [ 0.149 -0.444 -0.049] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni4Sb4P8O36
_chemical_formula_sum "Ni4 Sb4 P8 O36"
_cell_length_a 6.398521
_cell_length_b 7.881027
_cell_length_c 14.069832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ni4Sb4P8O36
_chemical_formula_sum "Ni4 Sb4 P8 O36"
_cell_length_a 6.398521
_cell_length_b 7.881027
_cell_length_c 14.069832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveSelectedAtomsAction | bc7b35bd-5da4-4ab6-b1cd-2b7deaec0c15 | mp-2231769 | Move atoms at indices [3, 6, 0, 17, 16, 1, 9, 5, 15, 13, 18, 11] by [ 1.199 0.04 -1.001] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn2Se4O12
_chemical_formula_sum "Mg1 Mn2 Se4 O12"
_cell_length_a 5.44462449
_cell_length_b 6.89465889
_cell_length_c 7.89161823
_cell_angle_alpha 88.69789064999999
_cell_angle_beta 93.2494109
_cell_angle_gamma 83.75586802
_space_... | data_image0
_chemical_formula_structural MgMn2Se4O12
_chemical_formula_sum "Mg1 Mn2 Se4 O12"
_cell_length_a 5.44462449
_cell_length_b 6.89465889
_cell_length_c 7.89161823
_cell_angle_alpha 88.69789064999999
_cell_angle_beta 93.2494109
_cell_angle_gamma 83.75586802
_space_... |
MoveSelectedAtomsAction | 4e6c8dc8-174c-4424-82cb-32ed817fe255 | mp-1213688 | Move atoms at indices [0, 14, 4, 9, 12, 15, 2, 6] by [ 1.782 0.023 -1.648] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Ca4I12
_chemical_formula_sum "Cs4 Ca4 I12"
_cell_length_a 8.57588159
_cell_length_b 8.78260577
_cell_length_c 12.28814489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Cs4Ca4I12
_chemical_formula_sum "Cs4 Ca4 I12"
_cell_length_a 8.57588159
_cell_length_b 8.78260577
_cell_length_c 12.28814489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | f4df9549-655c-46da-823a-020abbfefb9b | mp-1227253 | Move atoms at indices [25, 34, 23, 4, 11, 33, 5, 7, 3, 9, 32, 18, 30, 17, 35, 22, 31, 29, 16, 21, 2, 6, 1, 0, 12] by [-1.429 -2.887 -0.732] angstrom in the cif file. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... |
MoveSelectedAtomsAction | cfb94e22-03a9-4aef-baa3-c241d775c98b | mp-561179 | Move atoms at indices [21, 8, 22] by [2.951 3.893 1.568] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Cu4I4O8
_chemical_formula_sum "Ba8 Cu4 I4 O8"
_cell_length_a 4.44409499
_cell_length_b 11.08544927
_cell_length_c 14.130622020000002
_cell_angle_alpha 88.26392371999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Ba8Cu4I4O8
_chemical_formula_sum "Ba8 Cu4 I4 O8"
_cell_length_a 4.44409499
_cell_length_b 11.08544927
_cell_length_c 14.130622020000002
_cell_angle_alpha 88.26392371999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
MoveSelectedAtomsAction | cd437792-6679-4986-baa4-c71e9b6b5004 | mp-559041 | Move atoms at indices [18, 9, 13, 1, 21, 22, 17, 12, 0, 14, 2, 3, 23, 16, 6, 10, 11, 4, 19, 8, 20] by [ 3.362 -1.414 4.948] angstrom in the cif file. | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4
_chemical_formula_sum "Tl2 Mo4 Cl14 O4"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space_grou... | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4
_chemical_formula_sum "Tl2 Mo4 Cl14 O4"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space_grou... |
MoveSelectedAtomsAction | fcd5dc91-87d0-4e6c-b1db-034d7bf04edb | mp-761710 | Move atoms at indices [9, 4, 8, 1, 10, 13, 6, 3, 11, 2] by [-2.238 -1.797 -2.849] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2Co2O8
_chemical_formula_sum "Li2 Fe2 Co2 O8"
_cell_length_a 5.84785554
_cell_length_b 5.847855770000001
_cell_length_c 5.84785554
_cell_angle_alpha 89.97011905
_cell_angle_beta 119.157337
_cell_angle_gamma 59.184920010000006
... | data_image0
_chemical_formula_structural Li2Fe2Co2O8
_chemical_formula_sum "Li2 Fe2 Co2 O8"
_cell_length_a 5.84785554
_cell_length_b 5.847855770000001
_cell_length_c 5.84785554
_cell_angle_alpha 89.97011905
_cell_angle_beta 119.157337
_cell_angle_gamma 59.184920010000006
... |
MoveSelectedAtomsAction | 063e7a9c-577f-4911-b007-c6cfab55d42b | mp-22385 | Move atoms at indices [1, 0, 2, 4, 3, 12, 8] by [-0.803 2.371 -2.087] angstrom in the cif file. | data_image0
_chemical_formula_structural NpAl8Fe4
_chemical_formula_sum "Np1 Al8 Fe4"
_cell_length_a 6.67251209
_cell_length_b 6.67251209
_cell_length_c 6.67251209
_cell_angle_alpha 98.01214626999999
_cell_angle_beta 98.01214626999999
_cell_angle_gamma 136.15645146
_space... | data_image0
_chemical_formula_structural NpAl8Fe4
_chemical_formula_sum "Np1 Al8 Fe4"
_cell_length_a 6.67251209
_cell_length_b 6.67251209
_cell_length_c 6.67251209
_cell_angle_alpha 98.01214626999999
_cell_angle_beta 98.01214626999999
_cell_angle_gamma 136.15645146
_space... |
MoveSelectedAtomsAction | 8230712a-6933-432d-b04e-4422f05cd271 | mp-2713621 | Move atoms at indices [28, 33, 62, 11, 3, 32, 23, 49, 12, 7, 78, 63, 20, 39, 56, 57, 69, 24, 9, 72, 4, 27, 50, 77, 64, 21, 34, 25, 14, 53, 60, 76, 70, 41, 54, 0, 51, 35, 79, 65, 48, 8, 17, 75, 10, 2, 58, 38, 18, 22, 30, 29, 67, 26, 71, 1, 44, 66, 68, 36, 55, 5, 47, 73, 40, 52, 45, 43] by [ 0.315 -2.882 -1.071] angstrom... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... |
MoveSelectedAtomsAction | 7466dc29-6418-4a1c-b9f7-dc61b2ca4fc4 | mp-759955 | Move atoms at indices [26, 13, 16, 35, 24, 23, 34, 15, 42, 37, 33, 30, 10, 9, 40, 11, 32, 41, 20, 25, 14, 38, 22, 6, 31, 19, 36, 27, 12, 5, 0, 29, 43] by [ 0.362 -0.76 -2.325] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.937069
_cell_length_b 6.03219996
_cell_length_c 15.07458003
_cell_angle_alpha 80.25103232000001
_cell_angle_beta 85.17375532
_cell_angle_gamma 60.75174218
_space_g... | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.937069
_cell_length_b 6.03219996
_cell_length_c 15.07458003
_cell_angle_alpha 80.25103232000001
_cell_angle_beta 85.17375532
_cell_angle_gamma 60.75174218
_space_g... |
MoveSelectedAtomsAction | 1f8f5458-6107-4057-9f15-e3a1c757a466 | mp-1377792 | Move atoms at indices [16, 11, 14] by [-2.721 0.269 -1.969] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4V2Ir2O12
_chemical_formula_sum "Mg4 V2 Ir2 O12"
_cell_length_a 5.275469
_cell_length_b 5.115261
_cell_length_c 9.03851202
_cell_angle_alpha 55.72667628
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg4V2Ir2O12
_chemical_formula_sum "Mg4 V2 Ir2 O12"
_cell_length_a 5.275469
_cell_length_b 5.115261
_cell_length_c 9.03851202
_cell_angle_alpha 55.72667628
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 12215884-c6ce-4fb5-8ce3-6320f7cabe82 | mp-1174544 | Move atoms at indices [8, 1, 3, 0, 18] by [-0.751 -1.162 0.218] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 2.944711
_cell_length_b 5.1004160800000005
_cell_length_c 17.2736048
_cell_angle_alpha 95.32903194999999
_cell_angle_beta 88.82123337
_cell_angle_gamma 105.12908574... | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 2.944711
_cell_length_b 5.1004160800000005
_cell_length_c 17.2736048
_cell_angle_alpha 95.32903194999999
_cell_angle_beta 88.82123337
_cell_angle_gamma 105.12908574... |
MoveSelectedAtomsAction | a679facd-5ba5-4675-81d2-749768864f8f | mp-733581 | Move atoms at indices [49, 79, 48, 22, 15, 74, 37, 0, 44, 64, 71, 50, 61, 4, 10, 54, 21, 41] by [-0.892 0.947 0.655] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr8H8Se16O48
_chemical_formula_sum "Pr8 H8 Se16 O48"
_cell_length_a 7.08154831
_cell_length_b 8.41853341
_cell_length_c 18.8842553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Pr8H8Se16O48
_chemical_formula_sum "Pr8 H8 Se16 O48"
_cell_length_a 7.08154831
_cell_length_b 8.41853341
_cell_length_c 18.8842553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 6c84af8c-6668-4b58-94b6-cd97041537d4 | mp-532718 | Move atoms at indices [53, 26, 50, 36, 41, 47, 34, 46, 17, 35, 2, 56, 51, 16, 29, 54, 12, 55, 9, 27, 19, 44, 0, 37, 3, 20, 13, 14, 15, 32, 39, 21, 42, 40, 24, 10, 57, 28, 18, 6, 52, 8, 43, 7, 33, 45, 30, 25, 5, 59, 38, 31, 23, 22, 49] by [-0.877 2.56 -1.494] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Nd6Mn12O36
_chemical_formula_sum "Ca6 Nd6 Mn12 O36"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca6Nd6Mn12O36
_chemical_formula_sum "Ca6 Nd6 Mn12 O36"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | a02419db-27f9-415d-a0a3-0c4e6563e61d | mp-756218 | Move atoms at indices [5, 11] by [ 3.312 -1.349 -0.637] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V2Cr2O8
_chemical_formula_sum "Li2 V2 Cr2 O8"
_cell_length_a 5.84010577
_cell_length_b 5.83504027
_cell_length_c 5.77845652
_cell_angle_alpha 91.6471868
_cell_angle_beta 120.44420644
_cell_angle_gamma 59.70630936
_space_group_na... | data_image0
_chemical_formula_structural Li2V2Cr2O8
_chemical_formula_sum "Li2 V2 Cr2 O8"
_cell_length_a 5.84010577
_cell_length_b 5.83504027
_cell_length_c 5.77845652
_cell_angle_alpha 91.6471868
_cell_angle_beta 120.44420644
_cell_angle_gamma 59.70630936
_space_group_na... |
MoveSelectedAtomsAction | 0f4939d7-612d-4071-90f1-8db750ea3b27 | mp-23792 | Move atoms at indices [15, 13, 20, 4] by [ 0.097 -2.213 0.951] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... |
MoveSelectedAtomsAction | eaa6c9b4-d30d-4ae1-a283-d4e395f7fe22 | mp-754356 | Move atoms at indices [41, 16, 30, 20, 9, 2, 14, 0, 18, 8, 7, 3, 38, 44, 27, 35, 33, 22, 11, 19, 5, 37, 24, 21, 49, 28, 23, 6, 4, 15, 17, 48] by [-2.594 -0.202 -1.172] angstrom in the cif file. | data_image0
_chemical_formula_structural Na10Mn4P4C4O28
_chemical_formula_sum "Na10 Mn4 P4 C4 O28"
_cell_length_a 6.63058431
_cell_length_b 10.56808174
_cell_length_c 10.433935000000002
_cell_angle_alpha 119.59234913
_cell_angle_beta 88.81323704
_cell_angle_gamma 90.146987... | data_image0
_chemical_formula_structural Na10Mn4P4C4O28
_chemical_formula_sum "Na10 Mn4 P4 C4 O28"
_cell_length_a 6.63058431
_cell_length_b 10.56808174
_cell_length_c 10.433935000000002
_cell_angle_alpha 119.59234913
_cell_angle_beta 88.81323704
_cell_angle_gamma 90.146987... |
MoveSelectedAtomsAction | b0f913ba-8867-4c32-bd11-fc14444aabff | mp-1213037 | Move atoms at indices [0, 7, 2, 9, 3, 10, 11] by [0.099 2.005 0.952] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Li4As4
_chemical_formula_sum "K4 Li4 As4"
_cell_length_a 4.311587
_cell_length_b 12.867966
_cell_length_c 14.594449
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural K4Li4As4
_chemical_formula_sum "K4 Li4 As4"
_cell_length_a 4.311587
_cell_length_b 12.867966
_cell_length_c 14.594449
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveSelectedAtomsAction | b619bed8-5766-4a18-ae03-bf7cbbdd1417 | mp-1193391 | Move atoms at indices [15, 3, 14, 22, 25, 17, 6, 13, 8, 9, 5, 12] by [ 0.382 -2.963 4.427] angstrom in the cif file. | data_image0
_chemical_formula_structural Co2P2N2O20
_chemical_formula_sum "Co2 P2 N2 O20"
_cell_length_a 7.846009
_cell_length_b 4.907373
_cell_length_c 12.329286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Co2P2N2O20
_chemical_formula_sum "Co2 P2 N2 O20"
_cell_length_a 7.846009
_cell_length_b 4.907373
_cell_length_c 12.329286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveSelectedAtomsAction | 2c959308-c0c4-454a-b59c-429126b587b4 | mp-759392 | Move atoms at indices [1, 7, 13, 25, 16, 21] by [0.712 0.715 0.626] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn4F20
_chemical_formula_sum "Li8 Mn4 F20"
_cell_length_a 5.136198
_cell_length_b 7.41645
_cell_length_c 9.929168740000001
_cell_angle_alpha 70.28427604000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Mn4F20
_chemical_formula_sum "Li8 Mn4 F20"
_cell_length_a 5.136198
_cell_length_b 7.41645
_cell_length_c 9.929168740000001
_cell_angle_alpha 70.28427604000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | d3602f54-4ada-4555-9a9c-25fe5bb20d30 | mp-755952 | Move atoms at indices [9, 4, 0, 20, 19, 3, 11, 6, 21, 14] by [0.032 1.137 1.022] angstrom in the cif file. | data_image0
_chemical_formula_structural VCu3P4O16
_chemical_formula_sum "V1 Cu3 P4 O16"
_cell_length_a 5.911984
_cell_length_b 4.853885
_cell_length_c 9.78967238
_cell_angle_alpha 89.39078934
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural VCu3P4O16
_chemical_formula_sum "V1 Cu3 P4 O16"
_cell_length_a 5.911984
_cell_length_b 4.853885
_cell_length_c 9.78967238
_cell_angle_alpha 89.39078934
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 042406c3-4a3b-4081-8da7-77fdcaea5a3b | mp-1172905 | Move atoms at indices [6, 1, 11, 5, 7, 8] by [ 4.026 -2.093 2.789] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 142df017-d19f-46d9-874d-9ff49688549c | mp-1198564 | Move atoms at indices [0, 21, 17, 13, 26, 15, 3, 7, 18, 1, 5, 10, 24, 14, 20, 28, 2, 30, 11, 32, 27, 6, 12, 9, 8, 25, 33, 4, 31, 16, 29, 34] by [-2.556 1.902 1.252] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu12Cu12Ge12
_chemical_formula_sum "Eu12 Cu12 Ge12"
_cell_length_a 4.500955
_cell_length_b 7.637562
_cell_length_c 22.479168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Eu12Cu12Ge12
_chemical_formula_sum "Eu12 Cu12 Ge12"
_cell_length_a 4.500955
_cell_length_b 7.637562
_cell_length_c 22.479168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | 39aca21f-cf6a-47ad-9c7f-c08e08e978b7 | mp-1033833 | Move atoms at indices [7, 2, 9, 10] by [4.137 0.531 2.887] angstrom in the cif file. | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... |
MoveSelectedAtomsAction | 5222b446-8f28-409e-b517-d015276c6184 | mp-1220828 | Move atoms at indices [76, 11, 55, 2, 16, 1, 56, 33, 10, 58, 45, 9, 18, 65, 66, 13, 21, 17, 70, 79, 35, 46, 69, 77, 57, 24, 40, 14, 53, 36, 25, 51, 23, 19, 41, 50, 26, 42, 64, 31, 81, 74, 49, 5, 75, 0, 48, 82, 30, 44, 62, 6] by [ 0.663 2.166 -0.57 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... |
MoveSelectedAtomsAction | 1fa97dee-9506-442d-bbcf-2e57e1c30662 | mp-1197275 | Move atoms at indices [5, 10, 38, 37, 54, 6, 63] by [-3.564 -2.284 0.677] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb8Fe56C4
_chemical_formula_sum "Tb8 Fe56 C4"
_cell_length_a 8.729041
_cell_length_b 8.729041
_cell_length_c 11.772369
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Tb8Fe56C4
_chemical_formula_sum "Tb8 Fe56 C4"
_cell_length_a 8.729041
_cell_length_b 8.729041
_cell_length_c 11.772369
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
MoveSelectedAtomsAction | 3ac7ffe8-67e5-41f2-a6e7-b43a4a1525e4 | mp-1039781 | Move atoms at indices [16, 38, 49, 9, 30, 46, 63, 17, 12, 58, 13, 44, 24, 15, 53, 32, 5, 11, 6, 0] by [0.49 1.261 2.192] angstrom in the cif file. | data_image0
_chemical_formula_structural NaMg30WO32
_chemical_formula_sum "Na1 Mg30 W1 O32"
_cell_length_a 8.565666
_cell_length_b 8.565666
_cell_length_c 8.56018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural NaMg30WO32
_chemical_formula_sum "Na1 Mg30 W1 O32"
_cell_length_a 8.565666
_cell_length_b 8.565666
_cell_length_c 8.56018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveSelectedAtomsAction | f52e0cba-3f38-4adf-b5d7-979bf9998ab7 | mp-866658 | Move atoms at indices [21, 18, 15, 10, 11, 7, 5, 30, 8, 13, 17, 23, 20, 12, 22, 1, 29, 3, 4, 6, 2, 26, 9, 27, 25, 24, 14] by [-0.641 -1.075 -1.646] angstrom in the cif file. | data_image0
_chemical_formula_structural H16RhN5Cl6O3
_chemical_formula_sum "H16 Rh1 N5 Cl6 O3"
_cell_length_a 9.33784635
_cell_length_b 9.33784635
_cell_length_c 9.33784639
_cell_angle_alpha 43.55420994000001
_cell_angle_beta 43.55420994
_cell_angle_gamma 43.5542098099999... | data_image0
_chemical_formula_structural H16RhN5Cl6O3
_chemical_formula_sum "H16 Rh1 N5 Cl6 O3"
_cell_length_a 9.33784635
_cell_length_b 9.33784635
_cell_length_c 9.33784639
_cell_angle_alpha 43.55420994000001
_cell_angle_beta 43.55420994
_cell_angle_gamma 43.5542098099999... |
MoveSelectedAtomsAction | 4f515f55-128c-414e-8c9a-464cce7b28fa | mp-1224552 | Move atoms at indices [6, 12, 0, 9, 7, 5, 4] by [ 1.582 -0.059 1.272] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho4NiSn8
_chemical_formula_sum "Ho4 Ni1 Sn8"
_cell_length_a 4.390995
_cell_length_b 4.397435
_cell_length_c 16.888049
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Ho4NiSn8
_chemical_formula_sum "Ho4 Ni1 Sn8"
_cell_length_a 4.390995
_cell_length_b 4.397435
_cell_length_c 16.888049
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveSelectedAtomsAction | 16a24279-8728-4fe7-bc13-0086d34f3409 | mp-1200515 | Move atoms at indices [7, 29, 22, 14, 32, 15, 31, 27, 23, 3] by [-0.977 1.387 -1.613] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb20Si16
_chemical_formula_sum "Tb20 Si16"
_cell_length_a 7.48899009
_cell_length_b 7.70841404
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 90.00552247
_cell_angle_gamma 89.99549034
_space_group_n... | data_image0
_chemical_formula_structural Tb20Si16
_chemical_formula_sum "Tb20 Si16"
_cell_length_a 7.48899009
_cell_length_b 7.70841404
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 90.00552247
_cell_angle_gamma 89.99549034
_space_group_n... |
MoveSelectedAtomsAction | e983bd3e-ef50-4ebe-b837-206c52570f25 | mp-1205091 | Move atoms at indices [6, 26, 20, 13, 42, 9, 27, 16, 50, 10, 19, 46, 49, 36, 17, 0, 7, 21, 51, 33, 25, 2, 11, 32, 22, 40, 31, 38, 14, 24, 29, 1, 41, 35, 45, 48, 3, 15, 18, 44, 37, 8, 28, 34, 12, 30] by [-1.486 -3.362 -0.094] angstrom in the cif file. | data_image0
_chemical_formula_structural K4B24F24
_chemical_formula_sum "K4 B24 F24"
_cell_length_a 8.36979153
_cell_length_b 8.36979153
_cell_length_c 11.53401593
_cell_angle_alpha 88.54504346999998
_cell_angle_beta 88.54504346999998
_cell_angle_gamma 120.21922669999998
... | data_image0
_chemical_formula_structural K4B24F24
_chemical_formula_sum "K4 B24 F24"
_cell_length_a 8.36979153
_cell_length_b 8.36979153
_cell_length_c 11.53401593
_cell_angle_alpha 88.54504346999998
_cell_angle_beta 88.54504346999998
_cell_angle_gamma 120.21922669999998
... |
MoveSelectedAtomsAction | ac304e96-f36c-465f-bee3-18e801c9ca12 | mp-621667 | Move atoms at indices [2, 4, 8, 0] by [ 2.127 1.19 -0.052] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu6Ag4
_chemical_formula_sum "Eu6 Ag4"
_cell_length_a 4.3545106
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Eu6Ag4
_chemical_formula_sum "Eu6 Ag4"
_cell_length_a 4.3545106
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveSelectedAtomsAction | 890107cf-c2b3-4788-b83e-5afe19aac679 | mp-1305321 | Move atoms at indices [2, 0] by [-1.705 -3.212 -0.952] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn4O8F4
_chemical_formula_sum "Li8 Mn4 O8 F4"
_cell_length_a 3.05235613
_cell_length_b 14.693265340000002
_cell_length_c 5.06606481
_cell_angle_alpha 81.73800875
_cell_angle_beta 86.33348749
_cell_angle_gamma 86.62612284000001
_... | data_image0
_chemical_formula_structural Li8Mn4O8F4
_chemical_formula_sum "Li8 Mn4 O8 F4"
_cell_length_a 3.05235613
_cell_length_b 14.693265340000002
_cell_length_c 5.06606481
_cell_angle_alpha 81.73800875
_cell_angle_beta 86.33348749
_cell_angle_gamma 86.62612284000001
_... |
MoveSelectedAtomsAction | 831f3b20-a53b-4f76-9f88-107cc3b9df8a | mp-1042364 | Move atoms at indices [39, 28, 37, 50, 59, 46, 21, 45, 20, 1, 49, 23, 42, 7, 54, 43, 3, 55, 26, 33, 31, 17, 9, 10, 32] by [ 0.097 -0.663 4.337] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Ta8Bi8O40
_chemical_formula_sum "Ca8 Ta8 Bi8 O40"
_cell_length_a 5.630171
_cell_length_b 11.515526
_cell_length_c 16.534408
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Ca8Ta8Bi8O40
_chemical_formula_sum "Ca8 Ta8 Bi8 O40"
_cell_length_a 5.630171
_cell_length_b 11.515526
_cell_length_c 16.534408
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | 1d8cf685-55c1-4b8b-89f3-8bc18c835d0c | mp-1218449 | Move atoms at indices [11, 15, 3, 0, 5, 17, 7, 10, 2, 4, 9, 18, 6] by [-1.885 -2.997 0.19 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... |
MoveSelectedAtomsAction | ab932c39-b6c3-431c-8c26-7054bf6858d2 | mp-2219699 | Move atoms at indices [11] by [-0.689 1.733 0.611] angstrom in the cif file. | data_image0
_chemical_formula_structural K2MgRe2O8
_chemical_formula_sum "K2 Mg1 Re2 O8"
_cell_length_a 5.54549561
_cell_length_b 6.37898571
_cell_length_c 7.9827836
_cell_angle_alpha 113.78128377
_cell_angle_beta 110.25819822000001
_cell_angle_gamma 90.07065235
_space_gr... | data_image0
_chemical_formula_structural K2MgRe2O8
_chemical_formula_sum "K2 Mg1 Re2 O8"
_cell_length_a 5.54549561
_cell_length_b 6.37898571
_cell_length_c 7.9827836
_cell_angle_alpha 113.78128377
_cell_angle_beta 110.25819822000001
_cell_angle_gamma 90.07065235
_space_gr... |
MoveSelectedAtomsAction | b7674b87-48b2-44c7-9555-aa8903291709 | mp-777965 | Move atoms at indices [38, 25, 31, 3, 33, 18, 9, 21, 29, 34, 1, 10, 20, 30, 16, 14, 23, 28, 36, 19, 11, 7, 22, 37, 5, 15, 6, 12, 35, 8, 0, 26, 24, 32] by [-1.546 2.044 -2.895] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ti11O24
_chemical_formula_sum "Na4 Ti11 O24"
_cell_length_a 10.50339217
_cell_length_b 10.50339217
_cell_length_c 6.15520938
_cell_angle_alpha 73.95641705
_cell_angle_beta 73.95641705
_cell_angle_gamma 119.97407326000001
_space_... | data_image0
_chemical_formula_structural Na4Ti11O24
_chemical_formula_sum "Na4 Ti11 O24"
_cell_length_a 10.50339217
_cell_length_b 10.50339217
_cell_length_c 6.15520938
_cell_angle_alpha 73.95641705
_cell_angle_beta 73.95641705
_cell_angle_gamma 119.97407326000001
_space_... |
MoveSelectedAtomsAction | 7b22650b-1ff8-421a-b43d-73506a66f867 | mp-1218473 | Move atoms at indices [9, 8, 3, 5] by [ 0.052 2.304 -0. ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr3CaCu2O6
_chemical_formula_sum "Sr3 Ca1 Cu2 O6"
_cell_length_a 6.80543418
_cell_length_b 6.80543418
_cell_length_c 6.96655439
_cell_angle_alpha 75.182527
_cell_angle_beta 75.182527
_cell_angle_gamma 33.62898998999999
_space_group... | data_image0
_chemical_formula_structural Sr3CaCu2O6
_chemical_formula_sum "Sr3 Ca1 Cu2 O6"
_cell_length_a 6.80543418
_cell_length_b 6.80543418
_cell_length_c 6.96655439
_cell_angle_alpha 75.182527
_cell_angle_beta 75.182527
_cell_angle_gamma 33.62898998999999
_space_group... |
MoveSelectedAtomsAction | be39ff9f-5012-426e-8736-9d1d8209a54e | mp-2230615 | Move atoms at indices [2, 17, 16, 4, 9, 18, 11, 14, 7, 3, 5, 10, 13] by [-0.7 0.335 -0.891] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCo5SnO12
_chemical_formula_sum "Mg1 Co5 Sn1 O12"
_cell_length_a 5.16798225
_cell_length_b 5.06228585
_cell_length_c 10.05426768
_cell_angle_alpha 93.92568172
_cell_angle_beta 97.56611219000001
_cell_angle_gamma 59.34081011
_space... | data_image0
_chemical_formula_structural MgCo5SnO12
_chemical_formula_sum "Mg1 Co5 Sn1 O12"
_cell_length_a 5.16798225
_cell_length_b 5.06228585
_cell_length_c 10.05426768
_cell_angle_alpha 93.92568172
_cell_angle_beta 97.56611219000001
_cell_angle_gamma 59.34081011
_space... |
MoveSelectedAtomsAction | 552ddb04-f342-4fc2-85d1-0418faebbf17 | mp-1209541 | Move atoms at indices [3, 8, 10, 7, 9] by [-0.392 -1.631 -2.6 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Se3N3O12
_chemical_formula_sum "Se3 N3 O12"
_cell_length_a 9.26032011
_cell_length_b 9.26032011
_cell_length_c 5.68882602
_cell_angle_alpha 82.87290882000002
_cell_angle_beta 82.87290882000002
_cell_angle_gamma 53.16993631
_space_g... | data_image0
_chemical_formula_structural Se3N3O12
_chemical_formula_sum "Se3 N3 O12"
_cell_length_a 9.26032011
_cell_length_b 9.26032011
_cell_length_c 5.68882602
_cell_angle_alpha 82.87290882000002
_cell_angle_beta 82.87290882000002
_cell_angle_gamma 53.16993631
_space_g... |
MoveSelectedAtomsAction | 2ffb1d26-c36c-445d-a096-1777b6bf8018 | mp-1209106 | Move atoms at indices [19, 7, 6, 8, 0, 11, 9, 3, 4, 1, 10, 17, 5, 15, 13, 12, 21] by [-1.716 -0.641 1.14 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb8Cl2O12
_chemical_formula_sum "Sb8 Cl2 O12"
_cell_length_a 9.8282001
_cell_length_b 9.8282001
_cell_length_c 10.9813657
_cell_angle_alpha 69.18075124000002
_cell_angle_beta 69.18075124000002
_cell_angle_gamma 24.235533709999995
_... | data_image0
_chemical_formula_structural Sb8Cl2O12
_chemical_formula_sum "Sb8 Cl2 O12"
_cell_length_a 9.8282001
_cell_length_b 9.8282001
_cell_length_c 10.9813657
_cell_angle_alpha 69.18075124000002
_cell_angle_beta 69.18075124000002
_cell_angle_gamma 24.235533709999995
_... |
MoveSelectedAtomsAction | f0faa156-f476-4ddc-99ff-52c290e15422 | mp-1518830 | Move atoms at indices [13, 24, 22, 15, 11, 30] by [-1.274 0.993 -1.206] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Ba4Tb4Bi4O24
_chemical_formula_sum "K4 Ba4 Tb4 Bi4 O24"
_cell_length_a 8.74178874
_cell_length_b 8.70938544
_cell_length_c 8.75197493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Ba4Tb4Bi4O24
_chemical_formula_sum "K4 Ba4 Tb4 Bi4 O24"
_cell_length_a 8.74178874
_cell_length_b 8.70938544
_cell_length_c 8.75197493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | e2e28297-27c3-4b0e-9056-535f82ec0f43 | mp-1047828 | Move atoms at indices [0, 8, 21, 26, 19, 11] by [-0.278 1.256 -2.677] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Mn8O18
_chemical_formula_sum "Mg2 Mn8 O18"
_cell_length_a 8.490018
_cell_length_b 8.490018
_cell_length_c 4.787582
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Mg2Mn8O18
_chemical_formula_sum "Mg2 Mn8 O18"
_cell_length_a 8.490018
_cell_length_b 8.490018
_cell_length_c 4.787582
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveSelectedAtomsAction | 653facce-96df-42a3-a99b-f46c669e47ac | mp-1205734 | Move atoms at indices [8, 2] by [ 0.713 -0.633 3.515] angstrom in the cif file. | data_image0
_chemical_formula_structural Y2Re4Si2C2
_chemical_formula_sum "Y2 Re4 Si2 C2"
_cell_length_a 5.80737617
_cell_length_b 5.807376170000001
_cell_length_c 7.317291
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.13848847999995
_space_group_name... | data_image0
_chemical_formula_structural Y2Re4Si2C2
_chemical_formula_sum "Y2 Re4 Si2 C2"
_cell_length_a 5.80737617
_cell_length_b 5.807376170000001
_cell_length_c 7.317291
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.13848847999995
_space_group_name... |
MoveSelectedAtomsAction | 23c8f5c2-aca8-47f4-956a-e50e1be71fbd | mp-559790 | Move atoms at indices [28, 17, 21, 33, 27, 2, 24] by [-0.528 -1.957 -0.728] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Nb6Cl14O10
_chemical_formula_sum "K4 Nb6 Cl14 O10"
_cell_length_a 9.65668465
_cell_length_b 9.65668465
_cell_length_c 11.31733892
_cell_angle_alpha 69.91254741
_cell_angle_beta 69.91254741
_cell_angle_gamma 55.54566693999999
_spa... | data_image0
_chemical_formula_structural K4Nb6Cl14O10
_chemical_formula_sum "K4 Nb6 Cl14 O10"
_cell_length_a 9.65668465
_cell_length_b 9.65668465
_cell_length_c 11.31733892
_cell_angle_alpha 69.91254741
_cell_angle_beta 69.91254741
_cell_angle_gamma 55.54566693999999
_spa... |
MoveSelectedAtomsAction | 3466f428-0704-49a2-9177-a88305760875 | mp-2209216 | Move atoms at indices [23, 8, 7, 19, 4, 12, 22, 10, 14, 18, 11, 1, 25, 0, 17, 5, 21, 24, 9] by [ 0.885 0.674 -0.097] angstrom in the cif file. | data_image0
_chemical_formula_structural Li16Zn4Ge6
_chemical_formula_sum "Li16 Zn4 Ge6"
_cell_length_a 9.14862888
_cell_length_b 9.14862888
_cell_length_c 9.14862899
_cell_angle_alpha 48.211775040000006
_cell_angle_beta 48.211775040000006
_cell_angle_gamma 48.21177448
_s... | data_image0
_chemical_formula_structural Li16Zn4Ge6
_chemical_formula_sum "Li16 Zn4 Ge6"
_cell_length_a 9.14862888
_cell_length_b 9.14862888
_cell_length_c 9.14862899
_cell_angle_alpha 48.211775040000006
_cell_angle_beta 48.211775040000006
_cell_angle_gamma 48.21177448
_s... |
MoveSelectedAtomsAction | 3064346a-8104-4f27-8edb-d7246bb4f3bc | mp-1221055 | Move atoms at indices [34, 30, 36, 39, 0, 2, 16, 42, 18, 51, 49, 48, 11, 37, 32, 3, 24, 38, 9, 15, 22, 4, 20, 12, 44, 1, 17, 14, 35, 52, 46, 50, 27, 13, 19, 8, 41, 33, 43, 31, 28, 7, 21, 26, 25, 5, 10, 47] by [-1.968 -1.587 -3.391] angstrom in the cif file. | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... |
MoveSelectedAtomsAction | 7690fb53-21b2-4978-a2ad-c287e68b8359 | mp-850962 | Move atoms at indices [41, 7, 25, 63, 56, 12, 71, 55, 69, 5, 54, 31, 28, 62, 38, 48, 58, 4, 40, 19, 51, 61, 22, 73, 26] by [1.465 1.005 4.709] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Fe12Si12O48
_chemical_formula_sum "Li6 Fe12 Si12 O48"
_cell_length_a 10.90735927
_cell_length_b 10.90735927
_cell_length_c 11.848258
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_... | data_image0
_chemical_formula_structural Li6Fe12Si12O48
_chemical_formula_sum "Li6 Fe12 Si12 O48"
_cell_length_a 10.90735927
_cell_length_b 10.90735927
_cell_length_c 11.848258
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_... |
MoveSelectedAtomsAction | 62e54f3d-16af-4455-ab9a-92aecc3ec8b1 | mp-1202398 | Move atoms at indices [3, 30, 17, 22, 15, 12, 33, 9, 20, 5, 24, 19, 28, 29, 6, 35, 0, 13] by [ 1.523e+00 -3.000e-03 3.119e+00] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge4C16N4Cl12
_chemical_formula_sum "Ge4 C16 N4 Cl12"
_cell_length_a 8.123458
_cell_length_b 8.500134
_cell_length_c 12.085114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ge4C16N4Cl12
_chemical_formula_sum "Ge4 C16 N4 Cl12"
_cell_length_a 8.123458
_cell_length_b 8.500134
_cell_length_c 12.085114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveSelectedAtomsAction | 452605e1-b647-483b-a31f-05c6db522062 | mp-1246294 | Move atoms at indices [3, 8, 4, 9, 10, 11, 13, 5, 7, 0, 6] by [ 0.076 0.617 -1.32 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy2Mg2Ti2S8
_chemical_formula_sum "Dy2 Mg2 Ti2 S8"
_cell_length_a 7.75151795
_cell_length_b 7.607206660000001
_cell_length_c 7.60030167
_cell_angle_alpha 58.66867511000001
_cell_angle_beta 59.36751187
_cell_angle_gamma 59.34563601
... | data_image0
_chemical_formula_structural Dy2Mg2Ti2S8
_chemical_formula_sum "Dy2 Mg2 Ti2 S8"
_cell_length_a 7.75151795
_cell_length_b 7.607206660000001
_cell_length_c 7.60030167
_cell_angle_alpha 58.66867511000001
_cell_angle_beta 59.36751187
_cell_angle_gamma 59.34563601
... |
MoveSelectedAtomsAction | 343e6665-7f70-4d29-b942-b85386b878ae | mp-554002 | Move atoms at indices [8, 1, 6, 12, 7] by [-2.038 -2.147 -1.284] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2H6O6
_chemical_formula_sum "Al2 H6 O6"
_cell_length_a 4.959562
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Al2H6O6
_chemical_formula_sum "Al2 H6 O6"
_cell_length_a 4.959562
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 3fbadf04-85ad-434f-9d5a-028627d11bf1 | mp-765804 | Move atoms at indices [3] by [ 2.468 1.068 -0.768] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6VF8
_chemical_formula_sum "Li6 V1 F8"
_cell_length_a 5.93882439
_cell_length_b 5.93882439
_cell_length_c 5.93882439
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Li6VF8
_chemical_formula_sum "Li6 V1 F8"
_cell_length_a 5.93882439
_cell_length_b 5.93882439
_cell_length_c 5.93882439
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... |
MoveSelectedAtomsAction | 2715dbcd-dc92-4b25-b97d-193852fc11a0 | mp-1250606 | Move atoms at indices [6, 20, 41, 5, 27, 9, 22, 4, 35, 0, 32, 29, 7, 17, 26, 15, 34, 38, 24, 31, 40, 8, 18, 16, 11, 23, 30, 39, 28, 25, 19, 33, 3, 10, 37, 21, 42, 2, 1, 36, 14, 13, 12, 43] by [ 0.157 0.816 -0.661] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Al2H20Cl2O16
_chemical_formula_sum "Ca4 Al2 H20 Cl2 O16"
_cell_length_a 10.74289779
_cell_length_b 8.85810288
_cell_length_c 8.85810288
_cell_angle_alpha 41.84762657000001
_cell_angle_beta 100.38471685999998
_cell_angle_gamma 100... | data_image0
_chemical_formula_structural Ca4Al2H20Cl2O16
_chemical_formula_sum "Ca4 Al2 H20 Cl2 O16"
_cell_length_a 10.74289779
_cell_length_b 8.85810288
_cell_length_c 8.85810288
_cell_angle_alpha 41.84762657000001
_cell_angle_beta 100.38471685999998
_cell_angle_gamma 100... |
MoveSelectedAtomsAction | f3c37d47-8835-46d5-ad80-6a78e714f612 | mp-2216235 | Move atoms at indices [31, 1, 7, 38, 17, 10, 6, 19, 15, 11, 24, 28, 13, 29, 22, 26, 9, 30, 36, 18, 20, 40, 32, 5, 21, 34, 2, 14, 33, 35, 8, 39] by [-1.976 -2.112 1.123] angstrom in the cif file. | data_image0
_chemical_formula_structural MgBi4P8O28
_chemical_formula_sum "Mg1 Bi4 P8 O28"
_cell_length_a 9.23606738
_cell_length_b 5.248148989999999
_cell_length_c 13.60261934
_cell_angle_alpha 89.69533841
_cell_angle_beta 103.8476226
_cell_angle_gamma 90.14299218999999
... | data_image0
_chemical_formula_structural MgBi4P8O28
_chemical_formula_sum "Mg1 Bi4 P8 O28"
_cell_length_a 9.23606738
_cell_length_b 5.248148989999999
_cell_length_c 13.60261934
_cell_angle_alpha 89.69533841
_cell_angle_beta 103.8476226
_cell_angle_gamma 90.14299218999999
... |
MoveSelectedAtomsAction | daa35fcd-7e81-43c6-aa01-1825eee9c9f6 | mp-554749 | Move atoms at indices [0, 46, 64, 16, 5, 67, 48, 13, 30, 73, 41, 36, 29, 4, 37, 59, 17, 70, 23, 72, 54, 76, 71, 22, 28, 32, 18, 31, 51, 68, 43, 45, 39, 49, 63, 52, 62, 38, 74, 2, 47, 75, 44, 35, 57, 14, 34, 33, 53, 61, 60, 9, 40, 3, 19, 69, 10, 6, 58, 8, 20, 12, 7, 77, 24, 25, 65] by [ 0.148 -1.073 -4.453] angstrom in ... | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... |
MoveSelectedAtomsAction | f0d3020b-bb02-42c7-96df-71abc6028df1 | mp-1040209 | Move atoms at indices [0, 43, 49, 38, 37, 8, 23, 22, 56, 34, 61, 32, 20, 17, 53, 13, 45, 5, 6, 19, 51, 21, 60, 41, 36, 58, 3] by [-0.731 -0.52 2.423] angstrom in the cif file. | data_image0
_chemical_formula_structural KMg30GaO32
_chemical_formula_sum "K1 Mg30 Ga1 O32"
_cell_length_a 8.606815
_cell_length_b 8.606815
_cell_length_c 8.552012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural KMg30GaO32
_chemical_formula_sum "K1 Mg30 Ga1 O32"
_cell_length_a 8.606815
_cell_length_b 8.606815
_cell_length_c 8.552012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveSelectedAtomsAction | 97eb208c-ac05-49e5-8463-76d7ddf21db8 | mp-19408 | Move atoms at indices [5, 31, 30, 11, 15, 27, 6, 3, 19, 12, 0, 24, 18, 9, 21, 7, 25, 20, 22, 26, 10, 16] by [-2.575 -1.762 1.844] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V8O20
_chemical_formula_sum "Li4 V8 O20"
_cell_length_a 3.642142
_cell_length_b 9.89108
_cell_length_c 11.118627
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Li4V8O20
_chemical_formula_sum "Li4 V8 O20"
_cell_length_a 3.642142
_cell_length_b 9.89108
_cell_length_c 11.118627
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
MoveSelectedAtomsAction | a00f96eb-e91e-4021-831a-ab016e7ec551 | mp-9750 | Move atoms at indices [10, 13] by [-0.327 2.137 -1.615] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb2P2O10
_chemical_formula_sum "Sb2 P2 O10"
_cell_length_a 5.26815699
_cell_length_b 5.268157899999999
_cell_length_c 7.05433983
_cell_angle_alpha 106.36092716
_cell_angle_beta 106.36092178999999
_cell_angle_gamma 99.94077481000001
... | data_image0
_chemical_formula_structural Sb2P2O10
_chemical_formula_sum "Sb2 P2 O10"
_cell_length_a 5.26815699
_cell_length_b 5.268157899999999
_cell_length_c 7.05433983
_cell_angle_alpha 106.36092716
_cell_angle_beta 106.36092178999999
_cell_angle_gamma 99.94077481000001
... |
MoveSelectedAtomsAction | 7d5770ad-3d8f-4a41-8542-5dccadd58a5d | mp-1028096 | Move atoms at indices [8, 6, 3, 5, 15, 12, 7, 13, 14, 2] by [ 0.767 -0.955 0.687] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14MnSi
_chemical_formula_sum "Mg14 Mn1 Si1"
_cell_length_a 6.20733672
_cell_length_b 6.20733624
_cell_length_c 10.20989807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000254
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg14MnSi
_chemical_formula_sum "Mg14 Mn1 Si1"
_cell_length_a 6.20733672
_cell_length_b 6.20733624
_cell_length_c 10.20989807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000254
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 136b6b94-fff7-40fd-9609-67a8c27ea9b2 | mp-680113 | Move atoms at indices [30, 24, 27, 15, 7, 31, 17, 18, 13, 32, 21, 11, 26] by [ 1.114 -1.931 3.527] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd11I22
_chemical_formula_sum "Cd11 I22"
_cell_length_a 4.34388855
_cell_length_b 4.34388855
_cell_length_c 81.037434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000844999998
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd11I22
_chemical_formula_sum "Cd11 I22"
_cell_length_a 4.34388855
_cell_length_b 4.34388855
_cell_length_c 81.037434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000844999998
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 7f7a03b8-1d95-4b82-b1c6-0d0c66dbffb5 | mp-729907 | Move atoms at indices [33, 16, 7, 9, 61, 77, 78, 84, 10, 66, 25, 52, 17, 30, 20, 58, 47, 4, 51, 41, 67, 37, 85, 50, 59, 71, 29, 35, 88, 65, 12, 24, 36, 14, 6, 2, 80, 75, 28, 53, 57, 82, 42] by [-0.33 0.362 -2.249] angstrom in the cif file. | data_image0
_chemical_formula_structural NiH48C16S8N2O14
_chemical_formula_sum "Ni1 H48 C16 S8 N2 O14"
_cell_length_a 9.869812
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_angle_beta 109.69344817
_cell_angle_gamma ... | data_image0
_chemical_formula_structural NiH48C16S8N2O14
_chemical_formula_sum "Ni1 H48 C16 S8 N2 O14"
_cell_length_a 9.869812
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_angle_beta 109.69344817
_cell_angle_gamma ... |
MoveSelectedAtomsAction | 95845aca-3806-4883-b60b-342eb925ab0b | mp-622785 | Move atoms at indices [47, 57, 6, 14, 9, 40, 11, 2, 1, 62, 8, 23, 31, 44, 54, 12, 29, 46, 20, 32, 30, 35, 10, 28, 38, 3, 50, 61, 43, 39, 19, 58, 13] by [ 3.495 -0.033 0.299] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe16S16N16O16
_chemical_formula_sum "Fe16 S16 N16 O16"
_cell_length_a 10.435039
_cell_length_b 11.217004
_cell_length_c 15.292553349999999
_cell_angle_alpha 58.19865374999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Fe16S16N16O16
_chemical_formula_sum "Fe16 S16 N16 O16"
_cell_length_a 10.435039
_cell_length_b 11.217004
_cell_length_c 15.292553349999999
_cell_angle_alpha 58.19865374999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
MoveSelectedAtomsAction | 9baa7c83-28a3-4f94-8591-9b688130f57d | mp-1207874 | Move atoms at indices [14, 26, 9, 27, 22, 0, 15] by [-3.479 0.777 3.956] angstrom in the cif file. | data_image0
_chemical_formula_structural Y6Si7Ni16
_chemical_formula_sum "Y6 Si7 Ni16"
_cell_length_a 8.3055221
_cell_length_b 8.3055221
_cell_length_c 8.3055221
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... | data_image0
_chemical_formula_structural Y6Si7Ni16
_chemical_formula_sum "Y6 Si7 Ni16"
_cell_length_a 8.3055221
_cell_length_b 8.3055221
_cell_length_c 8.3055221
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... |
MoveSelectedAtomsAction | 7fbf6740-a759-4af3-90a5-ab0186109bca | mp-11609 | Move atoms at indices [4, 3, 6, 0, 9, 5] by [-0.226 -1.047 0.078] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 58d63861-5e3c-4f92-a1f5-e94eaaa2cfde | mp-861612 | Move atoms at indices [8, 16, 18, 5, 1, 11, 3, 19, 7, 4, 15, 14] by [ 1.379 -0.082 -0.97 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 299424ae-98d5-4411-8219-8fcc233ae9f4 | mp-661715 | Move atoms at indices [16, 1, 11, 12, 6, 17, 15] by [ 0.816 -1.397 0.918] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... |
MoveSelectedAtomsAction | cb40ca58-df0d-4e6a-9bbb-ed7024615a0f | mp-28730 | Move atoms at indices [14, 50, 45, 12, 17, 40, 15, 49, 13, 27, 18, 31, 28, 23, 20, 19] by [-0.053 3.632 1.343] angstrom in the cif file. | data_image0
_chemical_formula_structural In28Cl36
_chemical_formula_sum "In28 Cl36"
_cell_length_a 12.2317628
_cell_length_b 12.2317628
_cell_length_c 12.2317628
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural In28Cl36
_chemical_formula_sum "In28 Cl36"
_cell_length_a 12.2317628
_cell_length_b 12.2317628
_cell_length_c 12.2317628
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveSelectedAtomsAction | 0d33074f-0119-448d-947e-41c9c1e3e28c | mp-1245687 | Move atoms at indices [13, 15, 10, 17, 11, 25, 12, 2, 34, 27, 33, 23, 29, 7, 35, 5, 31, 9, 18, 3, 6, 24, 16, 14, 8, 22, 26, 19] by [ 0.023 -0.712 3.051] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta16Te12N8
_chemical_formula_sum "Ta16 Te12 N8"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Ta16Te12N8
_chemical_formula_sum "Ta16 Te12 N8"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveSelectedAtomsAction | 6455ff5e-9423-4eeb-be8c-3f51d833aa52 | mp-1033461 | Move atoms at indices [2, 6, 5, 10, 13] by [-1.329 -0.985 -0.387] angstrom in the cif file. | data_image0
_chemical_formula_structural BaMg6CrO8
_chemical_formula_sum "Ba1 Mg6 Cr1 O8"
_cell_length_a 8.75022402
_cell_length_b 4.70931995
_cell_length_c 4.70931995
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural BaMg6CrO8
_chemical_formula_sum "Ba1 Mg6 Cr1 O8"
_cell_length_a 8.75022402
_cell_length_b 4.70931995
_cell_length_c 4.70931995
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | 107031fa-596d-4531-b90d-137dbe6b4202 | mp-1223543 | Move atoms at indices [33, 26, 30, 11, 41, 37, 17, 32, 21, 12, 38, 31, 28, 46, 22, 0, 44, 45, 1, 20, 6, 39, 27, 7, 4, 18, 36, 5, 29, 15, 42, 14, 43, 40, 10, 23, 19, 34, 16, 13, 35, 3, 2, 24, 25, 47, 9] by [1.419 0.823 1.526] angstrom in the cif file. | data_image0
_chemical_formula_structural K4H12Se8O24
_chemical_formula_sum "K4 H12 Se8 O24"
_cell_length_a 6.438519
_cell_length_b 6.476977
_cell_length_c 16.205754
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural K4H12Se8O24
_chemical_formula_sum "K4 H12 Se8 O24"
_cell_length_a 6.438519
_cell_length_b 6.476977
_cell_length_c 16.205754
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveSelectedAtomsAction | 2b7aea83-c493-49cc-b69e-097e2e9e7483 | mp-1176381 | Move atoms at indices [19, 21, 9, 20, 13, 16, 17, 2, 24, 0, 6, 3, 23, 14, 7, 11, 1] by [-0.703 -1.468 -0.759] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Li2Fe2P2C2O14
_chemical_formula_sum "Na4 Li2 Fe2 P2 C2 O14"
_cell_length_a 5.160677
_cell_length_b 6.65493372
_cell_length_c 8.860766310000002
_cell_angle_alpha 89.02148639
_cell_angle_beta 87.9522642
_cell_angle_gamma 89.8605170... | data_image0
_chemical_formula_structural Na4Li2Fe2P2C2O14
_chemical_formula_sum "Na4 Li2 Fe2 P2 C2 O14"
_cell_length_a 5.160677
_cell_length_b 6.65493372
_cell_length_c 8.860766310000002
_cell_angle_alpha 89.02148639
_cell_angle_beta 87.9522642
_cell_angle_gamma 89.8605170... |
MoveSelectedAtomsAction | 02e7829c-d0b4-4b5b-badb-18111f28ac71 | mp-1206399 | Move atoms at indices [3, 7] by [-2.142 4.429 -2.812] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... |
MoveSelectedAtomsAction | 1bc41ff0-f447-4fd0-9649-bc986c71029b | mp-1219666 | Move atoms at indices [5, 11, 9, 10, 0, 6, 4, 8, 7, 3, 12, 1] by [ 3.706 -2.876 -0.014] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb3Se2O8
_chemical_formula_sum "Rb3 Se2 O8"
_cell_length_a 6.15841454
_cell_length_b 6.15841454
_cell_length_c 8.52826787
_cell_angle_alpha 67.49247653
_cell_angle_beta 67.49247652999999
_cell_angle_gamma 60.11680434000001
_space_g... | data_image0
_chemical_formula_structural Rb3Se2O8
_chemical_formula_sum "Rb3 Se2 O8"
_cell_length_a 6.15841454
_cell_length_b 6.15841454
_cell_length_c 8.52826787
_cell_angle_alpha 67.49247653
_cell_angle_beta 67.49247652999999
_cell_angle_gamma 60.11680434000001
_space_g... |
MoveSelectedAtomsAction | 42670fb9-1a6e-4155-89cf-0adf5b1017bb | mp-1190028 | Move atoms at indices [7, 3, 11, 4, 1, 17, 5, 12, 0, 8, 2, 10, 13] by [2.673 1.502 1.523] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm3Al9Ni6
_chemical_formula_sum "Tm3 Al9 Ni6"
_cell_length_a 8.89713641
_cell_length_b 8.89713641
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Tm3Al9Ni6
_chemical_formula_sum "Tm3 Al9 Ni6"
_cell_length_a 8.89713641
_cell_length_b 8.89713641
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... |
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