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 | 18ef2f50-3ba6-4ed4-943d-2850e6cd3e36 | mp-1043670 | Move atoms at indices [6, 5, 11, 0, 13, 17, 14, 7, 16, 4, 12, 9, 10, 20] by [0.735 0.879 2.331] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn2Ni8O12
_chemical_formula_sum "Zn2 Ni8 O12"
_cell_length_a 5.09046752
_cell_length_b 5.09046752
_cell_length_c 14.89922
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74064449
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zn2Ni8O12
_chemical_formula_sum "Zn2 Ni8 O12"
_cell_length_a 5.09046752
_cell_length_b 5.09046752
_cell_length_c 14.89922
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74064449
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 87eb89ab-9201-44ae-9b47-679844b61232 | mp-704879 | Move atoms at indices [5, 7] by [2.462 0.901 0.364] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni10Te8Br4O24
_chemical_formula_sum "Ni10 Te8 Br4 O24"
_cell_length_a 10.571472
_cell_length_b 10.571471999999998
_cell_length_c 16.45824874
_cell_angle_alpha 56.37224867999999
_cell_angle_beta 56.37224868
_cell_angle_gamma 29.10422... | data_image0
_chemical_formula_structural Ni10Te8Br4O24
_chemical_formula_sum "Ni10 Te8 Br4 O24"
_cell_length_a 10.571472
_cell_length_b 10.571471999999998
_cell_length_c 16.45824874
_cell_angle_alpha 56.37224867999999
_cell_angle_beta 56.37224868
_cell_angle_gamma 29.10422... |
MoveSelectedAtomsAction | ae1caaba-598e-4b29-a60c-5470fb50ba37 | mp-19512 | Move atoms at indices [1, 15, 27, 19, 43, 50, 28, 11, 58, 24, 10, 47, 26, 59, 5, 3, 49, 29, 30, 53, 16, 18, 42, 17, 14, 34, 32, 31, 21, 37, 51, 9, 23, 44, 45, 7, 36, 20, 55, 52, 48] by [ 3.107 -1.821 -0.437] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4V8P8O40
_chemical_formula_sum "Ba4 V8 P8 O40"
_cell_length_a 9.350869
_cell_length_b 5.296802
_cell_length_c 16.5859852
_cell_angle_alpha 87.26925142
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ba4V8P8O40
_chemical_formula_sum "Ba4 V8 P8 O40"
_cell_length_a 9.350869
_cell_length_b 5.296802
_cell_length_c 16.5859852
_cell_angle_alpha 87.26925142
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 2c4796c6-f814-4f96-8ae7-2eb0e6d66bf2 | mp-7199 | Move atoms at indices [5, 0, 1, 7, 10] by [-0.839 0.779 3.327] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Pr2Te8
_chemical_formula_sum "Rb2 Pr2 Te8"
_cell_length_a 7.0061598
_cell_length_b 7.0061598
_cell_length_c 9.23461387
_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 Rb2Pr2Te8
_chemical_formula_sum "Rb2 Pr2 Te8"
_cell_length_a 7.0061598
_cell_length_b 7.0061598
_cell_length_c 9.23461387
_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 | 286c9ffe-a0d0-4817-be93-c861b983a069 | mp-10339 | Move atoms at indices [7, 3, 12, 2, 8, 13, 4, 0, 9, 16, 5, 1, 18, 10] by [4.402 0.144 0.66 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Nb4O12
_chemical_formula_sum "Sr4 Nb4 O12"
_cell_length_a 5.72665767
_cell_length_b 5.73016776
_cell_length_c 8.13508265
_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 Sr4Nb4O12
_chemical_formula_sum "Sr4 Nb4 O12"
_cell_length_a 5.72665767
_cell_length_b 5.73016776
_cell_length_c 8.13508265
_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 | c7447303-c7dd-4638-8895-85676e11e155 | mp-1247690 | Move atoms at indices [23, 21, 1, 37, 27, 22, 39, 18, 34, 35, 32, 5, 26, 15, 6, 9, 10, 36, 28, 3, 19, 7, 13, 25, 8, 0, 24, 2, 30, 14, 11, 12, 17, 20, 33, 4, 38, 16, 29] by [-2.71 2.388 -0.822] angstrom in the cif file. | data_image0
_chemical_formula_structural SrCa7Mn8O24
_chemical_formula_sum "Sr1 Ca7 Mn8 O24"
_cell_length_a 7.618931
_cell_length_b 7.618931
_cell_length_c 7.618931
_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 SrCa7Mn8O24
_chemical_formula_sum "Sr1 Ca7 Mn8 O24"
_cell_length_a 7.618931
_cell_length_b 7.618931
_cell_length_c 7.618931
_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 | 2cb443a5-5a0c-4189-bcd0-2efdd9876911 | mp-1194089 | Move atoms at indices [12, 27, 23, 18, 25, 11, 16, 21, 14, 20, 24, 26, 7, 8, 9] by [ 2.873 0.587 -0.11 ] angstrom in the cif file. | data_image0
_chemical_formula_structural CaMn28
_chemical_formula_sum "Ca1 Mn28"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural CaMn28
_chemical_formula_sum "Ca1 Mn28"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 8da971bf-ccd8-4dc3-a598-d9a5c6f61a7f | mp-18051 | Move atoms at indices [4, 18, 31, 6, 8, 1, 9, 27, 25, 17, 10, 3, 13, 12, 16, 29, 20, 14, 30, 7] by [ 3.879 -2.047 -1.409] angstrom in the cif file. | data_image0
_chemical_formula_structural La8Ti4O20
_chemical_formula_sum "La8 Ti4 O20"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_group_nam... | data_image0
_chemical_formula_structural La8Ti4O20
_chemical_formula_sum "La8 Ti4 O20"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_group_nam... |
MoveSelectedAtomsAction | bba56e62-acd8-404e-8062-fbbe8f1d9439 | mp-715438 | Move atoms at indices [4, 2, 12, 3, 10] by [1.52 1.072 2.291] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6O8
_chemical_formula_sum "Fe6 O8"
_cell_length_a 2.94267094
_cell_length_b 5.098815649999999
_cell_length_c 9.99026188
_cell_angle_alpha 90.1093699
_cell_angle_beta 90.23295843
_cell_angle_gamma 73.27708706
_space_group_name_H-M... | data_image0
_chemical_formula_structural Fe6O8
_chemical_formula_sum "Fe6 O8"
_cell_length_a 2.94267094
_cell_length_b 5.098815649999999
_cell_length_c 9.99026188
_cell_angle_alpha 90.1093699
_cell_angle_beta 90.23295843
_cell_angle_gamma 73.27708706
_space_group_name_H-M... |
MoveSelectedAtomsAction | 9193b356-ccf9-4d4a-a8d5-9e3392267ac6 | mp-554765 | Move atoms at indices [7, 1, 11, 3, 12, 10, 0, 6, 13, 4, 9, 2, 8, 5, 14] by [-2.447 -1.391 -1.191] angstrom in the cif file. | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... |
MoveSelectedAtomsAction | 6d64952f-aea8-4e90-a17d-79e9773061e2 | mp-1208150 | Move atoms at indices [5, 16, 17, 18, 11, 7, 8, 10, 4, 9, 14] by [-1.933 -0.064 0.944] angstrom in the cif file. | data_image0
_chemical_formula_structural Th4Cr4Sb12
_chemical_formula_sum "Th4 Cr4 Sb12"
_cell_length_a 6.199992
_cell_length_b 6.315171
_cell_length_c 12.955849
_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 Th4Cr4Sb12
_chemical_formula_sum "Th4 Cr4 Sb12"
_cell_length_a 6.199992
_cell_length_b 6.315171
_cell_length_c 12.955849
_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 | 1e9c7503-09f3-4138-b457-a59ae0d783c1 | mp-774237 | Move atoms at indices [5, 4, 6, 7, 12, 8, 18, 9, 21, 23, 15, 22, 11, 3, 1, 13] by [-1.696 -0.868 -1.543] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Cr2Ni5O12
_chemical_formula_sum "Li5 Cr2 Ni5 O12"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.29044020... | data_image0
_chemical_formula_structural Li5Cr2Ni5O12
_chemical_formula_sum "Li5 Cr2 Ni5 O12"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.29044020... |
MoveSelectedAtomsAction | 7dfe135c-3141-41a0-8fef-ef01f0aea252 | mp-2207630 | Move atoms at indices [2, 17, 25, 8, 4, 21, 14, 23] by [ 1.353 0.265 -1.031] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8La4F20
_chemical_formula_sum "Rb8 La4 F20"
_cell_length_a 6.89019891
_cell_length_b 7.81879989
_cell_length_c 11.312775
_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 Rb8La4F20
_chemical_formula_sum "Rb8 La4 F20"
_cell_length_a 6.89019891
_cell_length_b 7.81879989
_cell_length_c 11.312775
_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 | f64667cb-8744-4c35-8845-5f56759dcc86 | mp-562662 | Move atoms at indices [10, 22, 24, 40, 15, 43, 8, 18, 20, 49, 36, 17, 29, 21, 50, 2, 26, 51, 16, 28, 14, 48, 35, 5, 13, 34, 30, 27, 47, 32, 9, 23, 6, 25, 41, 42, 19, 45, 1, 37, 31, 33, 12, 3, 0, 44] by [0.146 0.277 1.268] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Co4C8O24F8
_chemical_formula_sum "Ba8 Co4 C8 O24 F8"
_cell_length_a 6.749409
_cell_length_b 9.088334
_cell_length_c 11.704113
_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 Ba8Co4C8O24F8
_chemical_formula_sum "Ba8 Co4 C8 O24 F8"
_cell_length_a 6.749409
_cell_length_b 9.088334
_cell_length_c 11.704113
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 2b0ad79e-4fdd-4816-999a-7b15c2518f05 | mp-755978 | Move atoms at indices [7, 13, 5, 3, 15, 6, 1, 2, 12, 16, 9, 8, 0, 11, 4, 14] by [ 5.345 1.391 -1.42 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
_space_g... | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
_space_g... |
MoveSelectedAtomsAction | b85678de-532e-438b-b5e8-b5f905f7f7d3 | mp-21683 | Move atoms at indices [17, 15, 18, 7, 3, 9, 28, 27, 22, 21, 13, 20, 16, 2, 23, 6, 8, 14, 26] by [-1.735 -1.499 -3.225] angstrom in the cif file. | data_image0
_chemical_formula_structural In2Ni21P6
_chemical_formula_sum "In2 Ni21 P6"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
_space... | data_image0
_chemical_formula_structural In2Ni21P6
_chemical_formula_sum "In2 Ni21 P6"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
_space... |
MoveSelectedAtomsAction | c8dcc83a-4caf-4f05-a76c-c3200716a5e4 | mp-1211033 | Move atoms at indices [15, 14, 1, 9, 3, 2, 6, 5] by [ 1.285 2.585 -1.53 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... |
MoveSelectedAtomsAction | 8a788271-0a55-4a0a-b2d9-73d683e1f487 | mp-1205446 | Move atoms at indices [21, 36, 57, 0, 29, 45, 3, 55, 47, 14, 32, 30, 1, 34, 53, 8, 5, 16, 18, 43, 41, 17, 20, 58, 4, 33, 25, 35, 12, 44, 54] by [-1.985 4.489 -3.047] angstrom in the cif file. | data_image0
_chemical_formula_structural Hg32Br12O16
_chemical_formula_sum "Hg32 Br12 O16"
_cell_length_a 6.37154252
_cell_length_b 6.94871517
_cell_length_c 31.68044603
_cell_angle_alpha 83.68968203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Hg32Br12O16
_chemical_formula_sum "Hg32 Br12 O16"
_cell_length_a 6.37154252
_cell_length_b 6.94871517
_cell_length_c 31.68044603
_cell_angle_alpha 83.68968203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | c3cc8dac-e8e7-46e8-a233-259b83a2ef34 | mp-1038443 | Move atoms at indices [49, 62, 7, 61, 42, 20, 5, 1, 50, 19, 34, 28, 17, 58, 37, 21, 35, 6, 33, 22, 48, 54, 55, 63, 4, 26, 43, 38, 57, 10, 53, 23, 39, 29, 14, 32, 11, 3] by [-0.052 0.182 -0.303] angstrom in the cif file. | data_image0
_chemical_formula_structural HfMg30CdO32
_chemical_formula_sum "Hf1 Mg30 Cd1 O32"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_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 HfMg30CdO32
_chemical_formula_sum "Hf1 Mg30 Cd1 O32"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_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 | 55ca57e1-2f19-44d0-a3eb-dffc49b9c787 | mp-1029771 | Move atoms at indices [11, 2, 18, 9, 12, 7] by [ 1.058 2.656 -1.553] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... |
MoveSelectedAtomsAction | 03d21e45-5004-4d6e-a4b1-5a3a7f8f834e | mp-1215346 | Move atoms at indices [0, 7, 4, 6, 2, 1, 11, 3, 10, 9, 5, 8] by [ 0.095 -2.126 -1.154] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | b01188c0-ecac-4a7b-8445-aba5a60183d0 | mp-1176871 | Move atoms at indices [20, 68, 57, 75, 82, 14, 33, 60, 40, 92, 21, 72, 67, 50, 5, 55, 78, 0, 3, 13, 86, 64, 36, 22, 49, 17, 37, 54, 43, 58, 93, 45, 1, 11, 81, 89, 30, 69, 73, 15, 44, 27, 91, 90, 56, 77, 53, 46, 87, 12, 70, 32, 24, 61, 65, 6, 10, 80, 41, 16, 83, 39, 18, 19, 35, 85, 76, 51, 88, 71, 38, 34, 8, 31, 28, 52,... | data_image0
_chemical_formula_structural Li14V6P16O58
_chemical_formula_sum "Li14 V6 P16 O58"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.94911286999999
... | data_image0
_chemical_formula_structural Li14V6P16O58
_chemical_formula_sum "Li14 V6 P16 O58"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.94911286999999
... |
MoveSelectedAtomsAction | 566436ac-5259-4155-89fa-5463ef1cadab | mp-775016 | Move atoms at indices [7, 3, 20, 22, 16, 21, 12, 11, 14] by [ 5.508 -0.503 -0.403] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2Cr2P4O16
_chemical_formula_sum "Mn2 Cr2 P4 O16"
_cell_length_a 4.83844923
_cell_length_b 9.86507043
_cell_length_c 5.88522203
_cell_angle_alpha 90.00640642999998
_cell_angle_beta 89.99026565999999
_cell_angle_gamma 91.72516821
_... | data_image0
_chemical_formula_structural Mn2Cr2P4O16
_chemical_formula_sum "Mn2 Cr2 P4 O16"
_cell_length_a 4.83844923
_cell_length_b 9.86507043
_cell_length_c 5.88522203
_cell_angle_alpha 90.00640642999998
_cell_angle_beta 89.99026565999999
_cell_angle_gamma 91.72516821
_... |
MoveSelectedAtomsAction | 86ca85ae-a0ff-4cd4-8a03-3ea26bb4cb57 | mp-1320145 | Move atoms at indices [13, 0, 12, 1] by [-4.302 1.835 -0.304] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2Mo2Cl2O8
_chemical_formula_sum "Li2 Fe2 Mo2 Cl2 O8"
_cell_length_a 5.11409378
_cell_length_b 7.06203233
_cell_length_c 7.13712466
_cell_angle_alpha 89.81401738
_cell_angle_beta 91.97105808
_cell_angle_gamma 89.97829328
_space... | data_image0
_chemical_formula_structural Li2Fe2Mo2Cl2O8
_chemical_formula_sum "Li2 Fe2 Mo2 Cl2 O8"
_cell_length_a 5.11409378
_cell_length_b 7.06203233
_cell_length_c 7.13712466
_cell_angle_alpha 89.81401738
_cell_angle_beta 91.97105808
_cell_angle_gamma 89.97829328
_space... |
MoveSelectedAtomsAction | 31d9d612-4e38-4fe2-97f0-5d0cdc4cba15 | mp-1106114 | Move atoms at indices [13, 9, 8, 15, 16, 2] by [ 0.704 2.054 -0.916] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb6Nd2N12
_chemical_formula_sum "Rb6 Nd2 N12"
_cell_length_a 8.31267826
_cell_length_b 8.31267826
_cell_length_c 8.31267785
_cell_angle_alpha 90.96326456999999
_cell_angle_beta 90.96326456999999
_cell_angle_gamma 90.96325711999998
... | data_image0
_chemical_formula_structural Rb6Nd2N12
_chemical_formula_sum "Rb6 Nd2 N12"
_cell_length_a 8.31267826
_cell_length_b 8.31267826
_cell_length_c 8.31267785
_cell_angle_alpha 90.96326456999999
_cell_angle_beta 90.96326456999999
_cell_angle_gamma 90.96325711999998
... |
MoveSelectedAtomsAction | 19f3bed8-ef8c-4b60-8947-ef55e6ec6fea | mp-1229210 | Move atoms at indices [7, 2, 62, 35, 15, 44, 38, 4, 1, 61, 37, 11, 48, 27, 9, 8, 56, 33, 25, 23, 39, 20, 32, 26, 6, 10, 54, 50, 58] by [-0.378 -0.564 -2.562] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Er5Cu15O34
_chemical_formula_sum "Ba10 Er5 Cu15 O34"
_cell_length_a 8.622765
_cell_length_b 8.75698465
_cell_length_c 12.5324057
_cell_angle_alpha 106.37783221
_cell_angle_beta 98.23103807
_cell_angle_gamma 88.83387604
_space_g... | data_image0
_chemical_formula_structural Ba10Er5Cu15O34
_chemical_formula_sum "Ba10 Er5 Cu15 O34"
_cell_length_a 8.622765
_cell_length_b 8.75698465
_cell_length_c 12.5324057
_cell_angle_alpha 106.37783221
_cell_angle_beta 98.23103807
_cell_angle_gamma 88.83387604
_space_g... |
MoveSelectedAtomsAction | e5919a3f-08f5-4cf1-bc6e-84c35a7a2745 | mp-1324601 | Move atoms at indices [4, 71, 60, 7, 22, 24, 11, 3, 30, 51, 49, 50, 2, 77, 43, 52, 8, 1, 79, 74, 33, 48, 73, 36, 18] by [-0.947 -0.95 -1.067] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn12Si12Ag8O48
_chemical_formula_sum "Zn12 Si12 Ag8 O48"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural Zn12Si12Ag8O48
_chemical_formula_sum "Zn12 Si12 Ag8 O48"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... |
MoveSelectedAtomsAction | 19193430-eea3-42a0-aa68-45cde676feed | mp-1386638 | Move atoms at indices [20, 7, 23, 8, 0, 14, 19, 4, 16, 21, 22, 18, 3, 26, 9, 1, 2, 25, 11, 5, 6, 27, 12, 10, 15, 24, 13, 17] by [4.403 0.267 0.283] angstrom in the cif file. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... |
MoveSelectedAtomsAction | 9803ef21-35f2-48ea-aad1-d6c19b2f4042 | mp-849436 | Move atoms at indices [19, 23, 0, 2, 3, 26, 10, 8, 9, 24, 7, 1, 6, 11, 4, 16, 15, 17, 22, 20, 12, 5, 18] by [-1.023 -0.743 -1.283] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Fe8O16
_chemical_formula_sum "Na4 Fe8 O16"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_space_grou... | data_image0
_chemical_formula_structural Na4Fe8O16
_chemical_formula_sum "Na4 Fe8 O16"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_space_grou... |
MoveSelectedAtomsAction | 72fa1bb9-62c1-4c46-baaf-65e3423fb54b | mp-1238779 | Move atoms at indices [10, 3, 1, 11, 7, 13] by [-2.353 3.311 -1.396] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Cr4S8
_chemical_formula_sum "Rb2 Cr4 S8"
_cell_length_a 7.72320835
_cell_length_b 7.72320835
_cell_length_c 7.72320835
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... | data_image0
_chemical_formula_structural Rb2Cr4S8
_chemical_formula_sum "Rb2 Cr4 S8"
_cell_length_a 7.72320835
_cell_length_b 7.72320835
_cell_length_c 7.72320835
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... |
MoveSelectedAtomsAction | fd28708a-cbe2-4fb7-b248-aebf284733f0 | mp-559435 | Move atoms at indices [4] by [-2.669 0.491 1.175] angstrom in the cif file. | data_image0
_chemical_formula_structural Co3F9
_chemical_formula_sum "Co3 F9"
_cell_length_a 5.29447817
_cell_length_b 5.29447914
_cell_length_c 6.484095559999999
_cell_angle_alpha 90.00003394
_cell_angle_beta 89.99998015
_cell_angle_gamma 120.00004250999999
_space_group_... | data_image0
_chemical_formula_structural Co3F9
_chemical_formula_sum "Co3 F9"
_cell_length_a 5.29447817
_cell_length_b 5.29447914
_cell_length_c 6.484095559999999
_cell_angle_alpha 90.00003394
_cell_angle_beta 89.99998015
_cell_angle_gamma 120.00004250999999
_space_group_... |
MoveSelectedAtomsAction | 3bed9c56-27d9-42de-beef-bc09c501d406 | mp-770799 | Move atoms at indices [13, 12, 8, 21, 2, 14, 5, 4] by [ 0.845 -0.11 -1.268] angstrom in the cif file. | data_image0
_chemical_formula_structural Li10Nb2O10
_chemical_formula_sum "Li10 Nb2 O10"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
_spac... | data_image0
_chemical_formula_structural Li10Nb2O10
_chemical_formula_sum "Li10 Nb2 O10"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
_spac... |
MoveSelectedAtomsAction | ff59ed1e-23f0-4555-b362-0b818eadab0b | mp-850188 | Move atoms at indices [11, 13, 6] by [ 2.451 -1.495 -3.969] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | fc176553-3346-46f4-9350-c4bddf7a034e | mp-1046778 | Move atoms at indices [24, 10, 4, 14, 17, 22, 9, 20, 13, 16, 15, 0, 8, 19] by [-1.062 -1.641 -1.321] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Y4Sn4O14
_chemical_formula_sum "Sr4 Y4 Sn4 O14"
_cell_length_a 11.91755355
_cell_length_b 11.917553550000001
_cell_length_c 11.91755355
_cell_angle_alpha 46.54074575
_cell_angle_beta 146.32237085
_cell_angle_gamma 148.83359540999... | data_image0
_chemical_formula_structural Sr4Y4Sn4O14
_chemical_formula_sum "Sr4 Y4 Sn4 O14"
_cell_length_a 11.91755355
_cell_length_b 11.917553550000001
_cell_length_c 11.91755355
_cell_angle_alpha 46.54074575
_cell_angle_beta 146.32237085
_cell_angle_gamma 148.83359540999... |
MoveSelectedAtomsAction | 0c0f94ce-3fa9-4d78-b4b9-326bc6a6ad56 | mp-1026435 | Move atoms at indices [11, 4, 12] by [-1.639 3.401 -1.214] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 7acd10e3-d6a4-4bb8-9d0f-4c90c11205bb | mp-1235662 | Move atoms at indices [4, 9, 10, 13, 6, 0, 14, 3, 7, 2, 12] by [-1.809 0.248 1.846] angstrom in the cif file. | data_image0
_chemical_formula_structural LiY2Fe4O8
_chemical_formula_sum "Li1 Y2 Fe4 O8"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_group_nam... | data_image0
_chemical_formula_structural LiY2Fe4O8
_chemical_formula_sum "Li1 Y2 Fe4 O8"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_group_nam... |
MoveSelectedAtomsAction | ed73d469-a2fb-4799-b4c6-b7b65e948f23 | mp-3956 | Move atoms at indices [13, 1, 15, 8, 5, 19, 12, 11, 3, 7] by [-1.747 2.366 3.206] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6U2O12
_chemical_formula_sum "Sr6 U2 O12"
_cell_length_a 6.01187075
_cell_length_b 6.24491972
_cell_length_c 8.62546066
_cell_angle_alpha 90.0
_cell_angle_beta 90.47273692
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sr6U2O12
_chemical_formula_sum "Sr6 U2 O12"
_cell_length_a 6.01187075
_cell_length_b 6.24491972
_cell_length_c 8.62546066
_cell_angle_alpha 90.0
_cell_angle_beta 90.47273692
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | bb0736ee-cc91-41de-9d84-c601287c52a2 | mp-1249385 | Move atoms at indices [11, 6, 8, 0, 5, 2, 10] by [1.938 2.774 1.353] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Ti2AlTlO7
_chemical_formula_sum "Ba2 Ti2 Al1 Tl1 O7"
_cell_length_a 3.84082844
_cell_length_b 3.84762645
_cell_length_c 14.584079240000001
_cell_angle_alpha 93.18656865
_cell_angle_beta 93.17865177000002
_cell_angle_gamma 87.6991... | data_image0
_chemical_formula_structural Ba2Ti2AlTlO7
_chemical_formula_sum "Ba2 Ti2 Al1 Tl1 O7"
_cell_length_a 3.84082844
_cell_length_b 3.84762645
_cell_length_c 14.584079240000001
_cell_angle_alpha 93.18656865
_cell_angle_beta 93.17865177000002
_cell_angle_gamma 87.6991... |
MoveSelectedAtomsAction | 885ca209-d39f-45b2-82f9-b6222ef1ec9a | mp-1192837 | Move atoms at indices [8, 28, 23, 14, 24, 1, 20, 26, 5, 12, 6, 3, 9, 18, 2, 22, 27, 15, 0, 4, 7, 10] by [0.533 0.242 1.464] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2Sb10Se10Cl8
_chemical_formula_sum "Al2 Sb10 Se10 Cl8"
_cell_length_a 9.701918
_cell_length_b 9.83934008
_cell_length_c 11.94593014
_cell_angle_alpha 104.07211943
_cell_angle_beta 110.25561751999999
_cell_angle_gamma 99.7414425
_... | data_image0
_chemical_formula_structural Al2Sb10Se10Cl8
_chemical_formula_sum "Al2 Sb10 Se10 Cl8"
_cell_length_a 9.701918
_cell_length_b 9.83934008
_cell_length_c 11.94593014
_cell_angle_alpha 104.07211943
_cell_angle_beta 110.25561751999999
_cell_angle_gamma 99.7414425
_... |
MoveSelectedAtomsAction | fbdbb485-5b57-4237-8601-a4baaea42745 | mp-1035395 | Move atoms at indices [1, 14, 5, 27, 15, 23, 19, 28, 31, 9, 16, 4, 21, 25, 3, 7, 0, 11, 18, 29, 12, 20, 24] by [ 0.953 -0.069 3.961] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14VCuO16
_chemical_formula_sum "Mg14 V1 Cu1 O16"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_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 Mg14VCuO16
_chemical_formula_sum "Mg14 V1 Cu1 O16"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_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 | 7b5857b6-8cc1-4422-a7ec-5ef529cc6013 | mp-559163 | Move atoms at indices [12, 29, 19, 15, 1, 6, 38, 41, 21, 32, 17, 0, 31] by [ 3.161 -0.221 2.42 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Fe4As8O28
_chemical_formula_sum "K4 Fe4 As8 O28"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space_gro... | data_image0
_chemical_formula_structural K4Fe4As8O28
_chemical_formula_sum "K4 Fe4 As8 O28"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space_gro... |
MoveSelectedAtomsAction | 3fffdd64-ee5c-4e5c-939a-61a32c5d8dbc | mp-757591 | Move atoms at indices [63, 8, 71, 62, 47, 65, 80, 91, 61, 68, 28, 81] by [-2.693 -1.554 1.505] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.793502
_cell_length_b 9.81214705
_cell_length_c 13.9753412
_cell_angle_alpha 89.76570739
_cell_angle_beta 89.74495204
_cell_angle_gamma 60.22690322
_space_group_... | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.793502
_cell_length_b 9.81214705
_cell_length_c 13.9753412
_cell_angle_alpha 89.76570739
_cell_angle_beta 89.74495204
_cell_angle_gamma 60.22690322
_space_group_... |
MoveSelectedAtomsAction | 5b501591-7ae7-4e45-a361-5c7eb9f1d411 | mp-11726 | Move atoms at indices [5, 4, 10, 14, 17, 26, 22, 9, 11, 23, 3, 16, 20, 8, 2, 15, 18, 24, 6, 25, 21, 7, 27, 13, 0, 12, 1] by [ 0.579 -0.396 0.677] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... |
MoveSelectedAtomsAction | 9805cfb5-8352-4e8c-b39d-f9254511f5c1 | mp-540706 | Move atoms at indices [16, 0, 29, 30, 20, 12, 5, 6, 24, 10] by [ 1.836 -2.723 -0.127] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Nb8O22
_chemical_formula_sum "Na4 Nb8 O22"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.20927979
_s... | data_image0
_chemical_formula_structural Na4Nb8O22
_chemical_formula_sum "Na4 Nb8 O22"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.20927979
_s... |
MoveSelectedAtomsAction | 7900ae94-dbf9-4cf2-b536-d0b43acc0a8c | mp-1198574 | Move atoms at indices [20, 35, 13, 70, 42, 7, 56, 11, 2, 34, 41, 63, 40, 31, 50, 59, 33, 39, 10, 43, 44, 71, 12, 51, 72, 49, 57, 26, 16, 77, 17, 14, 46, 68, 61, 0, 69, 1, 23, 62, 52, 74, 19, 36, 21, 45, 5, 18, 73, 79] by [ 0.526 2.191 -0.861] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4H32C12N8O24
_chemical_formula_sum "Mg4 H32 C12 N8 O24"
_cell_length_a 7.86321414
_cell_length_b 13.73812786
_cell_length_c 7.37876697
_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 Mg4H32C12N8O24
_chemical_formula_sum "Mg4 H32 C12 N8 O24"
_cell_length_a 7.86321414
_cell_length_b 13.73812786
_cell_length_c 7.37876697
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 8827f677-5be8-47ee-ab62-f98e973836ad | mp-1028135 | Move atoms at indices [7, 9, 8, 13, 6] by [ 0.243 1.345 -0.534] angstrom in the cif file. | data_image0
_chemical_formula_structural CaMg14Bi
_chemical_formula_sum "Ca1 Mg14 Bi1"
_cell_length_a 6.57699513
_cell_length_b 6.40011836
_cell_length_c 10.55966491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.11430116
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural CaMg14Bi
_chemical_formula_sum "Ca1 Mg14 Bi1"
_cell_length_a 6.57699513
_cell_length_b 6.40011836
_cell_length_c 10.55966491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.11430116
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 3dba9292-f1db-4e04-ba69-dfa649640544 | mp-1210644 | Move atoms at indices [28, 20, 5, 22, 16, 21, 11, 3, 2, 30, 19, 6, 23, 7] by [-2.151 0.558 2.963] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd2Hf2O28
_chemical_formula_sum "Nd2 Hf2 O28"
_cell_length_a 7.62017441
_cell_length_b 7.620174410000001
_cell_length_c 7.62017441
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Nd2Hf2O28
_chemical_formula_sum "Nd2 Hf2 O28"
_cell_length_a 7.62017441
_cell_length_b 7.620174410000001
_cell_length_c 7.62017441
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... |
MoveSelectedAtomsAction | b49bdaae-a8a5-43cf-951e-9340fdcff5e7 | mp-1219537 | Move atoms at indices [25, 17, 37, 7, 8, 5, 29, 30, 32, 26, 0, 18, 10, 27, 11, 16, 3, 4, 1, 31, 12, 33, 22, 23, 38, 36, 15, 35, 20, 2] by [-0.305 -2.16 3.818] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc3Ga16Fe20
_chemical_formula_sum "Sc3 Ga16 Fe20"
_cell_length_a 5.013486
_cell_length_b 6.50179875
_cell_length_c 18.24321775
_cell_angle_alpha 93.86234432
_cell_angle_beta 82.10218078
_cell_angle_gamma 112.67764555
_space_group_n... | data_image0
_chemical_formula_structural Sc3Ga16Fe20
_chemical_formula_sum "Sc3 Ga16 Fe20"
_cell_length_a 5.013486
_cell_length_b 6.50179875
_cell_length_c 18.24321775
_cell_angle_alpha 93.86234432
_cell_angle_beta 82.10218078
_cell_angle_gamma 112.67764555
_space_group_n... |
MoveSelectedAtomsAction | 852bc528-b964-4afe-b4cb-cddeb8611e5e | mp-1229180 | Move atoms at indices [25, 6, 8] by [-3.821 -1.763 0.725] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... |
MoveSelectedAtomsAction | d69b282e-df7b-45dd-9e3e-558e48825bf6 | mp-1177387 | Move atoms at indices [59, 34, 72, 6, 18, 42, 58, 4, 82, 13, 77, 41, 32, 46, 5, 37, 7, 45, 14, 69, 1, 28, 47, 10, 49, 84, 16, 60, 3, 79, 15, 66, 27, 48, 50, 31, 67, 76, 24, 70, 75, 81, 36, 74, 65, 51, 54, 87, 35, 63, 56, 17, 30, 23, 71, 38, 39, 83, 44, 22, 26, 86, 73] by [-1.632 0.725 -0.783] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.74315413
_cell_length_b 9.74315413
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_beta 89.94735393
_cell_angle_gamma 60.01237149999999
_space_g... | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.74315413
_cell_length_b 9.74315413
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_beta 89.94735393
_cell_angle_gamma 60.01237149999999
_space_g... |
MoveSelectedAtomsAction | bc694371-4f56-42af-ba61-ec5c9c218360 | mp-2236954 | Move atoms at indices [2, 5, 4, 9, 10, 15, 13, 17, 14, 0, 7, 3, 6, 11, 16, 8, 12, 1] by [-2.177 2.757 -0.205] angstrom in the cif file. | data_image0
_chemical_formula_structural Co6O6F6
_chemical_formula_sum "Co6 O6 F6"
_cell_length_a 4.5388127
_cell_length_b 4.49083901
_cell_length_c 9.009186039999998
_cell_angle_alpha 89.99284555999999
_cell_angle_beta 91.44723278
_cell_angle_gamma 89.99728025
_space_gro... | data_image0
_chemical_formula_structural Co6O6F6
_chemical_formula_sum "Co6 O6 F6"
_cell_length_a 4.5388127
_cell_length_b 4.49083901
_cell_length_c 9.009186039999998
_cell_angle_alpha 89.99284555999999
_cell_angle_beta 91.44723278
_cell_angle_gamma 89.99728025
_space_gro... |
MoveSelectedAtomsAction | 5cba686c-8c65-4c63-8e45-87235d400f1f | mp-685100 | Move atoms at indices [23, 17, 1, 8, 32, 6, 22, 25, 12, 4, 10, 26, 7, 11, 30, 20, 14, 0, 27, 18] by [ 1.516 0.717 -1.325] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu14I19
_chemical_formula_sum "Cu14 I19"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_space_gr... | data_image0
_chemical_formula_structural Cu14I19
_chemical_formula_sum "Cu14 I19"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_space_gr... |
MoveSelectedAtomsAction | 049e7bf6-8b6a-46c5-9a74-a2cf67a3b9c5 | mp-1110589 | Move atoms at indices [8, 7, 0, 1, 2, 6, 4] by [-0.889 2.078 0.332] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2IrAuF6
_chemical_formula_sum "Rb2 Ir1 Au1 F6"
_cell_length_a 6.35201375
_cell_length_b 6.35201375
_cell_length_c 6.35201375
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Rb2IrAuF6
_chemical_formula_sum "Rb2 Ir1 Au1 F6"
_cell_length_a 6.35201375
_cell_length_b 6.35201375
_cell_length_c 6.35201375
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveSelectedAtomsAction | 32f80ea0-7362-4f20-a10e-0752b444626a | mp-677864 | Move atoms at indices [18, 5, 26, 11, 2, 4, 15, 35, 28, 21, 22, 23, 3, 24, 7, 32, 13, 31, 19, 9, 16, 12, 8, 6, 29] by [ 1.251 1.672 -0.553] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Sn4P6O24
_chemical_formula_sum "Li2 Sn4 P6 O24"
_cell_length_a 8.55016
_cell_length_b 8.564034920000001
_cell_length_c 9.02612182
_cell_angle_alpha 118.0423152
_cell_angle_beta 90.30425657999999
_cell_angle_gamma 119.49173264
_s... | data_image0
_chemical_formula_structural Li2Sn4P6O24
_chemical_formula_sum "Li2 Sn4 P6 O24"
_cell_length_a 8.55016
_cell_length_b 8.564034920000001
_cell_length_c 9.02612182
_cell_angle_alpha 118.0423152
_cell_angle_beta 90.30425657999999
_cell_angle_gamma 119.49173264
_s... |
MoveSelectedAtomsAction | f77a6888-e940-4b43-84fb-6891ef4f1304 | mp-1379435 | Move atoms at indices [14, 13, 0, 18, 6, 10, 9, 2, 5, 4, 7, 16, 15, 19, 8, 11] by [ 2.438 -2.03 -3.172] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Ni5O10
_chemical_formula_sum "Li5 Ni5 O10"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group_name_... | data_image0
_chemical_formula_structural Li5Ni5O10
_chemical_formula_sum "Li5 Ni5 O10"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group_name_... |
MoveSelectedAtomsAction | 6f3f4ca4-1677-47bf-b5fa-7413fdd2d5b8 | mp-1213576 | Move atoms at indices [48, 55, 40, 60, 44, 7, 33, 8, 13, 11, 28, 6, 24, 0, 26, 49, 45, 57, 59, 15, 53, 32, 61, 1, 36, 12, 27, 58, 41, 42] by [ 0.047 -2.633 -0.84 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... |
MoveSelectedAtomsAction | bd55e7b3-ea08-4709-a24a-7a6768d450b7 | mp-754454 | Move atoms at indices [10, 5, 11, 3, 4, 1, 6, 12, 2, 9, 0, 7] by [-2.078 -1.353 1.118] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd2Ag4O8
_chemical_formula_sum "Cd2 Ag4 O8"
_cell_length_a 7.26728171
_cell_length_b 7.26728171
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.61245961
_space_group_name_... | data_image0
_chemical_formula_structural Cd2Ag4O8
_chemical_formula_sum "Cd2 Ag4 O8"
_cell_length_a 7.26728171
_cell_length_b 7.26728171
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.61245961
_space_group_name_... |
MoveSelectedAtomsAction | 041b3e82-b31c-4884-97ea-e339498e1c3d | mp-698292 | Move atoms at indices [48, 36, 17, 50, 1, 23, 9, 13, 51, 19, 4, 37, 2, 41, 40, 38, 0, 24, 20, 5, 32, 11, 43, 33, 34, 35, 49, 6, 8, 28, 46, 18, 29, 10, 22, 39, 44, 14, 15, 12, 30, 7, 31, 16, 27, 21, 3] by [-3.574 -0.703 0.108] angstrom in the cif file. | data_image0
_chemical_formula_structural K2ZrCdH16C8O24
_chemical_formula_sum "K2 Zr1 Cd1 H16 C8 O24"
_cell_length_a 9.23941705
_cell_length_b 9.23941705
_cell_length_c 9.23941705
_cell_angle_alpha 103.72416908000001
_cell_angle_beta 103.72416908000001
_cell_angle_gamma 12... | data_image0
_chemical_formula_structural K2ZrCdH16C8O24
_chemical_formula_sum "K2 Zr1 Cd1 H16 C8 O24"
_cell_length_a 9.23941705
_cell_length_b 9.23941705
_cell_length_c 9.23941705
_cell_angle_alpha 103.72416908000001
_cell_angle_beta 103.72416908000001
_cell_angle_gamma 12... |
MoveSelectedAtomsAction | 86588615-2769-4de7-9b84-eebcf6648812 | mp-755682 | Move atoms at indices [5, 17, 9, 14, 4, 10, 3, 11, 15, 6] by [1.175 1.737 1.834] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe2O6F2
_chemical_formula_sum "Li8 Fe2 O6 F2"
_cell_length_a 5.172149
_cell_length_b 5.2195528
_cell_length_c 8.072422239999998
_cell_angle_alpha 71.25930733000001
_cell_angle_beta 82.89881488999998
_cell_angle_gamma 69.88323606
... | data_image0
_chemical_formula_structural Li8Fe2O6F2
_chemical_formula_sum "Li8 Fe2 O6 F2"
_cell_length_a 5.172149
_cell_length_b 5.2195528
_cell_length_c 8.072422239999998
_cell_angle_alpha 71.25930733000001
_cell_angle_beta 82.89881488999998
_cell_angle_gamma 69.88323606
... |
MoveSelectedAtomsAction | 7fee3716-8969-4156-821a-9ff285fe63dc | mp-761155 | Move atoms at indices [17, 26, 2, 0, 15, 8, 21, 14, 16, 5, 24, 25, 20, 1, 6, 13, 12, 10, 23, 11, 22, 18, 9] by [-3.104 1.439 2.416] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co3Ni3W2O16
_chemical_formula_sum "Li4 Co3 Ni3 W2 O16"
_cell_length_a 5.92442302
_cell_length_b 5.92442302
_cell_length_c 9.743585339999997
_cell_angle_alpha 89.6495781
_cell_angle_beta 89.6495781
_cell_angle_gamma 60.14856860999... | data_image0
_chemical_formula_structural Li4Co3Ni3W2O16
_chemical_formula_sum "Li4 Co3 Ni3 W2 O16"
_cell_length_a 5.92442302
_cell_length_b 5.92442302
_cell_length_c 9.743585339999997
_cell_angle_alpha 89.6495781
_cell_angle_beta 89.6495781
_cell_angle_gamma 60.14856860999... |
MoveSelectedAtomsAction | 1223a71e-7865-489c-80a4-1172ce727f36 | mp-1034797 | Move atoms at indices [6, 19, 22, 0, 12, 14, 9, 4] by [ 1.204 -2.647 -1.079] angstrom in the cif file. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 | de3e90e6-887d-417c-8b4a-80cf412d79e9 | mp-1033833 | Move atoms at indices [11, 8, 14, 6] by [-1.451 -1.724 -1.471] 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 | 05c5ee7d-4307-469a-a1a1-d77a99cfbc3d | mp-30794 | Move atoms at indices [28, 4, 23, 36, 2, 30, 35, 33, 1, 15, 3, 29, 20, 24, 21, 27, 16, 6, 8, 31, 19, 0, 14, 26, 25, 18] by [ 1.373 -1.757 -0.942] angstrom in the cif file. | data_image0
_chemical_formula_structural Na30Sn8
_chemical_formula_sum "Na30 Sn8"
_cell_length_a 11.2804714
_cell_length_b 11.28047127
_cell_length_c 11.28047112
_cell_angle_alpha 109.47121859
_cell_angle_beta 109.47121835
_cell_angle_gamma 109.47122315000001
_space_group... | data_image0
_chemical_formula_structural Na30Sn8
_chemical_formula_sum "Na30 Sn8"
_cell_length_a 11.2804714
_cell_length_b 11.28047127
_cell_length_c 11.28047112
_cell_angle_alpha 109.47121859
_cell_angle_beta 109.47121835
_cell_angle_gamma 109.47122315000001
_space_group... |
MoveSelectedAtomsAction | 6c477634-bb00-4c4d-ba89-35f004f766cf | mp-2219347 | Move atoms at indices [4, 9] by [-0.814 0.662 -1.462] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTe4Mo2W2S4
_chemical_formula_sum "Mg1 Te4 Mo2 W2 S4"
_cell_length_a 3.367064
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_cell_angle_gamma 119.995444020000... | data_image0
_chemical_formula_structural MgTe4Mo2W2S4
_chemical_formula_sum "Mg1 Te4 Mo2 W2 S4"
_cell_length_a 3.367064
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_cell_angle_gamma 119.995444020000... |
MoveSelectedAtomsAction | 1c9a0556-c84a-480b-a74d-1acd407780f1 | mp-1033378 | Move atoms at indices [7, 15, 12, 2, 8, 6, 9, 1, 10, 3] by [-4.256 0.719 -0.792] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6CrBiO8
_chemical_formula_sum "Mg6 Cr1 Bi1 O8"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_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 Mg6CrBiO8
_chemical_formula_sum "Mg6 Cr1 Bi1 O8"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | 506b6ea8-7134-4f99-8754-d883ca2c2afa | mp-706430 | Move atoms at indices [19, 12, 11, 8, 21, 13, 24, 27, 4, 9, 22, 31] by [-2.632 -0.494 4.672] angstrom in the cif file. | data_image0
_chemical_formula_structural H12N4O16
_chemical_formula_sum "H12 N4 O16"
_cell_length_a 6.168374
_cell_length_b 6.302972
_cell_length_c 9.270461
_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 H12N4O16
_chemical_formula_sum "H12 N4 O16"
_cell_length_a 6.168374
_cell_length_b 6.302972
_cell_length_c 9.270461
_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 | f258ba20-2265-4ef4-8525-b47aae6155ef | mp-1213717 | Move atoms at indices [25, 10, 23, 13, 17, 1, 20, 27, 19] by [-0.526 -0.307 0.255] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs8Sb4F20
_chemical_formula_sum "Cs8 Sb4 F20"
_cell_length_a 6.7017
_cell_length_b 8.5046
_cell_length_c 13.056831
_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 Cs8Sb4F20
_chemical_formula_sum "Cs8 Sb4 F20"
_cell_length_a 6.7017
_cell_length_b 8.5046
_cell_length_c 13.056831
_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 | 2706fead-23e7-41a2-80f2-8e987d30ee5b | mp-1227514 | Move atoms at indices [7, 12, 23, 13, 14, 5, 17, 20, 22, 2, 16, 4, 0, 6, 9, 3, 18, 19, 8, 11, 21, 15, 10] by [-4.636 3.108 -1.273] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 8a15819d-d2ea-4992-b4e3-75f3675f8c70 | mp-780049 | Move atoms at indices [49, 36, 5, 34, 28, 39, 0, 53, 43, 44, 15, 24, 42, 10, 23, 32, 26, 52, 8, 18, 31, 38, 3, 14, 30, 2, 17, 9, 45, 4, 21, 48, 41, 46, 1, 19, 22, 47, 29, 6, 33, 16] by [-1.137 -1.403 -0.556] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu2Ta14O38
_chemical_formula_sum "Lu2 Ta14 O38"
_cell_length_a 6.24806164
_cell_length_b 6.2480616399999995
_cell_length_c 20.039688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999617999998
_space_group_nam... | data_image0
_chemical_formula_structural Lu2Ta14O38
_chemical_formula_sum "Lu2 Ta14 O38"
_cell_length_a 6.24806164
_cell_length_b 6.2480616399999995
_cell_length_c 20.039688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999617999998
_space_group_nam... |
MoveSelectedAtomsAction | db1c1a50-534a-4a7c-8c6d-2ec868e7edc5 | mp-13514 | Move atoms at indices [0, 13, 1] by [ 1.891 -3.03 -1.687] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4B4O12
_chemical_formula_sum "Nd4 B4 O12"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
_space... | data_image0
_chemical_formula_structural Nd4B4O12
_chemical_formula_sum "Nd4 B4 O12"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
_space... |
MoveSelectedAtomsAction | 816e3ce1-3abb-4575-958d-b04dbbb7ca00 | mp-735530 | Move atoms at indices [28, 3, 1, 27, 4, 6, 22, 24, 29, 7, 21, 31, 33, 9, 5, 26, 13, 20, 25, 23, 32, 19, 16, 2, 8] by [7.632 0.448 0.316] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Fe3P6HO22
_chemical_formula_sum "Ba2 Fe3 P6 H1 O22"
_cell_length_a 4.919701
_cell_length_b 8.00249343
_cell_length_c 11.42330261
_cell_angle_alpha 89.27073239
_cell_angle_beta 89.2849342
_cell_angle_gamma 87.13515349000001
_spac... | data_image0
_chemical_formula_structural Ba2Fe3P6HO22
_chemical_formula_sum "Ba2 Fe3 P6 H1 O22"
_cell_length_a 4.919701
_cell_length_b 8.00249343
_cell_length_c 11.42330261
_cell_angle_alpha 89.27073239
_cell_angle_beta 89.2849342
_cell_angle_gamma 87.13515349000001
_spac... |
MoveSelectedAtomsAction | ea9554bb-655f-4516-a5ce-5a630f793b88 | mp-559593 | Move atoms at indices [23, 15, 17, 0, 30, 13, 8, 5, 2, 20, 27, 7, 14, 22, 29, 19, 12, 10, 9, 18, 21, 3, 24, 25, 1, 16, 31, 32, 28, 11, 4, 6, 26] by [-1.404 -2.655 0.925] angstrom in the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... |
MoveSelectedAtomsAction | b56808e4-798a-4196-9ba3-b3955fcb8d21 | mp-555541 | Move atoms at indices [19, 9, 0, 29, 8, 2, 25, 31, 1, 5, 21, 6, 10, 30, 13] by [ 1.124 -1.522 0.131] angstrom in the cif file. | data_image0
_chemical_formula_structural K4C4N8O16
_chemical_formula_sum "K4 C4 N8 O16"
_cell_length_a 7.67341916
_cell_length_b 7.67341916
_cell_length_c 9.15047742
_cell_angle_alpha 75.97483683
_cell_angle_beta 75.97483683
_cell_angle_gamma 61.05566727000001
_space_grou... | data_image0
_chemical_formula_structural K4C4N8O16
_chemical_formula_sum "K4 C4 N8 O16"
_cell_length_a 7.67341916
_cell_length_b 7.67341916
_cell_length_c 9.15047742
_cell_angle_alpha 75.97483683
_cell_angle_beta 75.97483683
_cell_angle_gamma 61.05566727000001
_space_grou... |
MoveSelectedAtomsAction | 73751392-932e-4a28-9483-227bca5a219c | mp-1044010 | Move atoms at indices [26, 7, 4, 14, 11, 3, 31, 29, 21, 28, 30, 10, 22, 12, 23, 8, 6, 1, 5, 16, 18, 25, 20, 27, 13, 17, 19, 9] by [ 0.661 1.048 -1.678] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4Sn4Bi4O20
_chemical_formula_sum "Zn4 Sn4 Bi4 O20"
_cell_length_a 11.157864
_cell_length_b 5.332821
_cell_length_c 8.81112013
_cell_angle_alpha 73.00569277999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Zn4Sn4Bi4O20
_chemical_formula_sum "Zn4 Sn4 Bi4 O20"
_cell_length_a 11.157864
_cell_length_b 5.332821
_cell_length_c 8.81112013
_cell_angle_alpha 73.00569277999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 7b481dda-f38c-4e69-aab2-44ae20f294f3 | mp-705551 | Move atoms at indices [13, 19, 3, 2, 9, 25, 8, 29, 12, 18, 24, 10, 4, 27, 14, 23, 0, 16] by [-1.662 0.4 -1.721] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe15O16
_chemical_formula_sum "Fe15 O16"
_cell_length_a 6.247103
_cell_length_b 6.26532232
_cell_length_c 8.76823809
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
_cell_angle_gamma 90.08758079
_space_group_name_H... | data_image0
_chemical_formula_structural Fe15O16
_chemical_formula_sum "Fe15 O16"
_cell_length_a 6.247103
_cell_length_b 6.26532232
_cell_length_c 8.76823809
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
_cell_angle_gamma 90.08758079
_space_group_name_H... |
MoveSelectedAtomsAction | a0b9dcd2-0064-47f6-8c04-d7cb1af3c2ae | mp-4770 | Move atoms at indices [2, 4, 13, 12, 0, 1, 7, 8, 10] by [-1.082 2.246 -1.988] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4S2O8
_chemical_formula_sum "Na4 S2 O8"
_cell_length_a 5.65505031
_cell_length_b 5.65504963
_cell_length_c 6.76083777
_cell_angle_alpha 102.80605339
_cell_angle_beta 102.80604188
_cell_angle_gamma 118.03516548
_space_group_name_H... | data_image0
_chemical_formula_structural Na4S2O8
_chemical_formula_sum "Na4 S2 O8"
_cell_length_a 5.65505031
_cell_length_b 5.65504963
_cell_length_c 6.76083777
_cell_angle_alpha 102.80605339
_cell_angle_beta 102.80604188
_cell_angle_gamma 118.03516548
_space_group_name_H... |
MoveSelectedAtomsAction | 932989a2-55a7-47ad-b492-f851eed9df8b | mp-1207356 | Move atoms at indices [0, 2, 4, 9, 1, 8, 3, 7, 6] by [-1.816 0.357 0.342] angstrom in the cif file. | data_image0
_chemical_formula_structural RbTm3O6
_chemical_formula_sum "Rb1 Tm3 O6"
_cell_length_a 9.51444701
_cell_length_b 9.51444701
_cell_length_c 49.783382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 101.33830283
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural RbTm3O6
_chemical_formula_sum "Rb1 Tm3 O6"
_cell_length_a 9.51444701
_cell_length_b 9.51444701
_cell_length_c 49.783382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 101.33830283
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | c1fb8e23-20fb-42b3-82c1-dec2569324f5 | mp-22290 | Move atoms at indices [16, 12, 19, 11, 24, 27, 18, 20, 6, 7, 28, 21, 2, 3, 9, 10, 26, 13, 25] by [0.325 1.078 1.993] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6Si7Ni16
_chemical_formula_sum "Mn6 Si7 Ni16"
_cell_length_a 7.80082259
_cell_length_b 7.800822819999999
_cell_length_c 7.80082177
_cell_angle_alpha 60.00417865
_cell_angle_beta 60.00417477999999
_cell_angle_gamma 60.0041852199999... | data_image0
_chemical_formula_structural Mn6Si7Ni16
_chemical_formula_sum "Mn6 Si7 Ni16"
_cell_length_a 7.80082259
_cell_length_b 7.800822819999999
_cell_length_c 7.80082177
_cell_angle_alpha 60.00417865
_cell_angle_beta 60.00417477999999
_cell_angle_gamma 60.0041852199999... |
MoveSelectedAtomsAction | a56a7ca6-2ee9-4936-817b-ad8b297dc357 | mp-1304002 | Move atoms at indices [6, 24, 13, 14, 25, 7, 5, 21, 19, 29, 4, 2, 10, 26, 28, 20, 0, 11, 18, 15, 31, 23, 12, 17, 3] by [-1.046 0.288 -3.213] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... |
MoveSelectedAtomsAction | 9f7a5434-9df4-488c-84b9-71ec6f760c49 | mp-1520897 | Move atoms at indices [2, 9, 8, 4, 6] by [-0.944 1.565 -2.284] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2CrBiO6
_chemical_formula_sum "Sr2 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Sr2CrBiO6
_chemical_formula_sum "Sr2 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveSelectedAtomsAction | 761151c3-1970-4257-9aac-126afb45b080 | mp-1035887 | Move atoms at indices [8, 21, 2, 10, 31, 18, 0, 27, 29, 16, 20, 23, 12, 22, 9, 28, 15, 24, 11, 3, 26, 13, 25, 1] by [ 1.635 -3.673 -0.496] angstrom in the cif file. | data_image0
_chemical_formula_structural KMg14WO16
_chemical_formula_sum "K1 Mg14 W1 O16"
_cell_length_a 4.394113
_cell_length_b 8.642247
_cell_length_c 8.787907
_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 KMg14WO16
_chemical_formula_sum "K1 Mg14 W1 O16"
_cell_length_a 4.394113
_cell_length_b 8.642247
_cell_length_c 8.787907
_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 | 11779e23-160f-46d0-9e8c-96206a06d18a | mp-1208371 | Move atoms at indices [24, 15, 27, 30, 25, 14, 2, 16, 1, 8, 5, 10] by [-0.508 3.662 0.722] angstrom in the cif file. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 | 3947f18b-cb40-41fb-80c0-64bdc677eaee | mp-1237973 | Move atoms at indices [6, 9, 1, 7, 5, 0] by [-0.477 1.095 1.396] angstrom in the cif file. | data_image0
_chemical_formula_structural Y2Mg2S6
_chemical_formula_sum "Y2 Mg2 S6"
_cell_length_a 6.92440926
_cell_length_b 6.92440926
_cell_length_c 6.788429890000001
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle_gamma 111.76076144
_space_group_nam... | data_image0
_chemical_formula_structural Y2Mg2S6
_chemical_formula_sum "Y2 Mg2 S6"
_cell_length_a 6.92440926
_cell_length_b 6.92440926
_cell_length_c 6.788429890000001
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle_gamma 111.76076144
_space_group_nam... |
MoveSelectedAtomsAction | 2da6af65-b26a-47e5-a3af-590621808ccf | mp-570610 | Move atoms at indices [25, 18, 26, 3, 5, 9, 31, 24, 13, 10, 6, 17, 21, 19, 29, 20, 2, 22, 16, 8, 35, 28, 33, 7, 15, 34, 23, 32, 1, 12, 37, 27, 11, 0, 14] by [-3.228 -0.983 0.749] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd13I26
_chemical_formula_sum "Cd13 I26"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cd13I26
_chemical_formula_sum "Cd13 I26"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 9ac27722-6971-49b3-a476-4a2ed103500a | mp-560404 | Move atoms at indices [19, 12, 14, 9, 17, 5, 7, 3, 20, 8, 15, 25, 0, 6, 18, 10, 22, 27, 23, 1] by [-1.463 -5.041 -2.194] angstrom in the cif file. | data_image0
_chemical_formula_structural In4H4Se4O16
_chemical_formula_sum "In4 H4 Se4 O16"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_group_na... | data_image0
_chemical_formula_structural In4H4Se4O16
_chemical_formula_sum "In4 H4 Se4 O16"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_group_na... |
MoveSelectedAtomsAction | 8a7d4fe9-b80d-4aba-96f9-50f3cc167896 | mp-728419 | Move atoms at indices [35] by [-1.456 2.464 -0.359] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd4C28S12N16
_chemical_formula_sum "Cd4 C28 S12 N16"
_cell_length_a 9.557018
_cell_length_b 10.760586
_cell_length_c 14.051301
_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 Cd4C28S12N16
_chemical_formula_sum "Cd4 C28 S12 N16"
_cell_length_a 9.557018
_cell_length_b 10.760586
_cell_length_c 14.051301
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | 3358ba60-d9a1-4460-943d-922799a72b43 | mp-754801 | Move atoms at indices [15, 10, 1, 18, 0, 19, 9, 7, 21, 14, 8, 11, 17, 4, 16] by [ 0.518 0.02 -3.33 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... |
MoveSelectedAtomsAction | 2e751d51-f14d-48fe-8fb1-6382de6bafd6 | mp-1199329 | Move atoms at indices [19, 10, 26, 38] by [-0.821 -0.496 4.065] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd4P4H4C8O24
_chemical_formula_sum "Gd4 P4 H4 C8 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_group_... | data_image0
_chemical_formula_structural Gd4P4H4C8O24
_chemical_formula_sum "Gd4 P4 H4 C8 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_group_... |
MoveSelectedAtomsAction | 2749f050-a5e6-40c2-bac6-9ccd3de2ba93 | mp-756138 | Move atoms at indices [12, 6, 22, 14, 21, 27, 3, 2, 8, 0, 11, 13, 20, 10, 23, 26, 5, 1, 18, 19, 16, 9, 7, 24, 4, 15] by [-1.872 -0.553 0.402] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V6Sb2O16
_chemical_formula_sum "Li4 V6 Sb2 O16"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_group_... | data_image0
_chemical_formula_structural Li4V6Sb2O16
_chemical_formula_sum "Li4 V6 Sb2 O16"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_group_... |
MoveSelectedAtomsAction | 434e4834-6742-4394-ad94-afb8d5bb1bb2 | mp-616512 | Move atoms at indices [12, 14, 9, 7, 3, 8, 0, 10, 2, 18, 19, 1, 17, 5, 6] by [ 0.524 -1.429 -0.769] angstrom in the cif file. | data_image0
_chemical_formula_structural Y12Co8
_chemical_formula_sum "Y12 Co8"
_cell_length_a 3.966887
_cell_length_b 9.423694
_cell_length_c 12.225549
_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_IT_... | data_image0
_chemical_formula_structural Y12Co8
_chemical_formula_sum "Y12 Co8"
_cell_length_a 3.966887
_cell_length_b 9.423694
_cell_length_c 12.225549
_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_IT_... |
MoveSelectedAtomsAction | c5382b26-c496-4ec2-a322-b4e84ae00ae3 | mp-24598 | Move atoms at indices [3, 51, 44, 27, 24, 14, 60, 7, 26, 67, 25, 63, 29, 64, 16, 12, 10, 23, 46, 37, 36, 69, 11, 65, 49, 45, 66, 58, 68, 13, 62, 47, 17, 48, 33, 52, 2, 38, 32, 31, 6, 56, 22, 70, 61, 53, 43, 15, 50, 0, 18, 40, 4] by [-3.445 0.264 3.612] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 28410139-372f-4b0d-b369-027a7ffe0eb0 | mp-566278 | Move atoms at indices [5, 15, 10, 4, 1, 12, 3, 7, 13, 2, 8, 14, 0, 6] by [ 1.447 4.481 -0.251] angstrom in the cif file. | data_image0
_chemical_formula_structural W4O12
_chemical_formula_sum "W4 O12"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_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_IT_num... | data_image0
_chemical_formula_structural W4O12
_chemical_formula_sum "W4 O12"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_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_IT_num... |
MoveSelectedAtomsAction | 1afb3220-7eb5-4ba4-b880-d7e499aa1831 | mp-770874 | Move atoms at indices [52, 54, 12, 4, 36, 6, 47, 19, 46, 53, 16, 31, 37, 29, 27, 28, 41, 49, 15, 9, 40, 35, 56, 5, 0, 48, 26, 34, 14, 51, 24, 39, 45, 10, 22, 25, 32, 38, 2, 23, 17, 21, 13] by [-2.286 2.419 -1.755] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
MoveSelectedAtomsAction | f1e6bc44-d0a3-4d3c-be3c-cd3777082f0a | mp-2053129 | Move atoms at indices [6, 7] by [-0.636 0.208 -1.953] angstrom in the cif file. | data_image0
_chemical_formula_structural Er4As4S4
_chemical_formula_sum "Er4 As4 S4"
_cell_length_a 3.78665465
_cell_length_b 3.81953299
_cell_length_c 16.80727137
_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 Er4As4S4
_chemical_formula_sum "Er4 As4 S4"
_cell_length_a 3.78665465
_cell_length_b 3.81953299
_cell_length_c 16.80727137
_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 | ea63ffc2-3133-4bc6-a01c-45292b55eda9 | mp-555420 | Move atoms at indices [70, 67, 10, 39, 32, 42, 80, 54, 52, 93, 7, 82, 50, 4, 31, 87, 0, 3, 11, 8, 18, 20, 77, 38, 33, 66, 61, 94, 36, 91, 76, 6, 75, 14, 15, 62, 78, 56, 71, 55, 74, 85, 81, 68, 13, 73, 89, 57, 19, 43, 64, 29, 83, 88, 59, 84] by [ 0.878 -1.886 1.821] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Li8Ti24O56
_chemical_formula_sum "Na8 Li8 Ti24 O56"
_cell_length_a 10.06311714
_cell_length_b 10.06311714
_cell_length_c 11.54493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.43828377
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na8Li8Ti24O56
_chemical_formula_sum "Na8 Li8 Ti24 O56"
_cell_length_a 10.06311714
_cell_length_b 10.06311714
_cell_length_c 11.54493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.43828377
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 51bbaee8-726b-4304-b1dc-3fe36977d4eb | mp-1105068 | Move atoms at indices [5, 8, 6, 3, 1, 2, 11, 7] by [ 4.535 -2.38 1.493] angstrom in the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... |
MoveSelectedAtomsAction | 66e178a5-420d-4db1-9d60-aa301e0f8e81 | mp-18672 | Move atoms at indices [21, 1, 4, 6, 19, 20, 7, 8, 13, 3, 12, 10, 17, 9, 5] by [ 5.275 2.039 -1.161] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Dy4Cu6Se10
_chemical_formula_sum "Cs2 Dy4 Cu6 Se10"
_cell_length_a 7.63432858
_cell_length_b 7.63432858
_cell_length_c 17.431245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.53848154999997
_space_group_name... | data_image0
_chemical_formula_structural Cs2Dy4Cu6Se10
_chemical_formula_sum "Cs2 Dy4 Cu6 Se10"
_cell_length_a 7.63432858
_cell_length_b 7.63432858
_cell_length_c 17.431245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.53848154999997
_space_group_name... |
MoveSelectedAtomsAction | 939c5d62-1d12-48f4-8793-f867a044ad8c | mp-772660 | Move atoms at indices [22, 21, 2, 18, 23, 6, 5, 12, 15, 8, 0, 19, 7, 10, 9, 3, 4, 20, 17, 11, 13, 14, 16] by [ 3.265 2.671 -1.685] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4Cr4O16
_chemical_formula_sum "Nb4 Cr4 O16"
_cell_length_a 4.5187362
_cell_length_b 11.61773218
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.998968
_cell_angle_gamma 89.99993829
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb4Cr4O16
_chemical_formula_sum "Nb4 Cr4 O16"
_cell_length_a 4.5187362
_cell_length_b 11.61773218
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.998968
_cell_angle_gamma 89.99993829
_space_group_name_H-... |
MoveSelectedAtomsAction | 958f398e-3987-47ac-98e4-e9f0b607c8d9 | mp-1031226 | Move atoms at indices [0, 7, 8, 11, 2, 1, 6] by [ 4.612 -1.115 -0.79 ] angstrom in the cif file. | data_image0
_chemical_formula_structural RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_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 RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | ed593ab3-55df-46e2-8596-8cefee04a053 | mp-1212834 | Move atoms at indices [1, 4, 3, 0, 6, 7, 2, 10] by [ 1.019 -1.958 1.63 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd4Ni4Pb4
_chemical_formula_sum "Gd4 Ni4 Pb4"
_cell_length_a 4.572982
_cell_length_b 7.27882227
_cell_length_c 7.7671560600000005
_cell_angle_alpha 89.95544366999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Gd4Ni4Pb4
_chemical_formula_sum "Gd4 Ni4 Pb4"
_cell_length_a 4.572982
_cell_length_b 7.27882227
_cell_length_c 7.7671560600000005
_cell_angle_alpha 89.95544366999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
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