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 | 74a25b06-a2c6-498a-8c91-93ac9e302fc7 | mp-27741 | Move atoms at indices [8, 11, 1, 0, 9, 4, 3, 6] by [-0.279 -1.781 -1.106] angstrom in the cif file. | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | cff7d9ae-353b-40ea-8ffa-04289bcb142f | mp-600038 | Move atoms at indices [11, 13, 27, 26, 22, 21, 17, 9, 7, 23, 10, 4, 15, 5, 18, 1, 28, 19, 12, 20, 2, 24, 14, 0, 8, 16, 29, 3] by [-1.566 3.426 0.859] angstrom in the cif file. | data_image0
_chemical_formula_structural Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_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 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_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 | 0c83fd20-0487-41aa-a299-8753c71462ad | mp-28179 | Move atoms at indices [21, 25, 27, 15, 4, 2, 24, 12, 14, 11, 5, 3, 18, 0] by [ 0.439 -1.446 -0.504] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 6b1a5f0b-fcdf-4a5a-be6b-9c53fc14e394 | mp-1227155 | Move atoms at indices [3, 0, 8, 7, 4, 10, 9] by [-2.369 1.794 -0.689] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Mg4Zn4
_chemical_formula_sum "Ca4 Mg4 Zn4"
_cell_length_a 5.84729168
_cell_length_b 5.84729168
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ca4Mg4Zn4
_chemical_formula_sum "Ca4 Mg4 Zn4"
_cell_length_a 5.84729168
_cell_length_b 5.84729168
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | c96e1b2c-9e1b-4bb2-a207-0abb94c3b935 | mp-1190956 | Move atoms at indices [5] by [-0.093 0.412 0.383] angstrom in the cif file. | data_image0
_chemical_formula_structural K4H4C4O12
_chemical_formula_sum "K4 H4 C4 O12"
_cell_length_a 5.58946929
_cell_length_b 5.58946929
_cell_length_c 11.04977441
_cell_angle_alpha 75.80331787
_cell_angle_beta 75.80331787
_cell_angle_gamma 72.81330546
_space_group_nam... | data_image0
_chemical_formula_structural K4H4C4O12
_chemical_formula_sum "K4 H4 C4 O12"
_cell_length_a 5.58946929
_cell_length_b 5.58946929
_cell_length_c 11.04977441
_cell_angle_alpha 75.80331787
_cell_angle_beta 75.80331787
_cell_angle_gamma 72.81330546
_space_group_nam... |
MoveSelectedAtomsAction | 2984558a-4cea-45ec-acf9-fa3a65fa8343 | mp-1227253 | Move atoms at indices [19, 5, 33, 27, 10, 0, 18, 8, 13, 15, 29, 32, 28, 7, 35, 34] by [ 0.359 -2.496 -1.454] 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 | 40b418d6-112f-44aa-aabf-3a8a98558b60 | mp-1036209 | Move atoms at indices [8, 6, 11, 28, 16, 17, 29, 7, 25, 23, 20] by [-1.226 1.383 0.377] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14TiMnO16
_chemical_formula_sum "Mg14 Ti1 Mn1 O16"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_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 Mg14TiMnO16
_chemical_formula_sum "Mg14 Ti1 Mn1 O16"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_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 | 4f378bb8-0a8f-42a9-bef8-1f85314e970b | mp-1076382 | Move atoms at indices [34, 33, 28, 9, 19, 26, 14, 13, 27, 39, 21, 0, 7, 30, 17, 8, 11, 10, 1, 23, 32, 5, 35, 37, 12, 6, 2, 4, 38, 29, 25, 22, 15, 3, 20, 24, 18, 31, 16] by [ 0.31 3.52 -0.855] angstrom in the cif file. | data_image0
_chemical_formula_structural La7SmFe8O24
_chemical_formula_sum "La7 Sm1 Fe8 O24"
_cell_length_a 7.902464
_cell_length_b 7.902464
_cell_length_c 7.902464
_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 La7SmFe8O24
_chemical_formula_sum "La7 Sm1 Fe8 O24"
_cell_length_a 7.902464
_cell_length_b 7.902464
_cell_length_c 7.902464
_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 | ca1e7c0a-e0c4-4d9a-a740-c93cc5ace437 | mp-775903 | Move atoms at indices [23, 22] by [-0.028 4.479 0.152] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... |
MoveSelectedAtomsAction | c62b1b17-f854-48d8-9ca7-69728f61a819 | mp-754739 | Move atoms at indices [4, 1, 0, 15, 7, 3, 14, 10, 2, 11, 12] by [-2.378 0.25 -3.384] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Be6O8
_chemical_formula_sum "Ca2 Be6 O8"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca2Be6O8
_chemical_formula_sum "Ca2 Be6 O8"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 1b3a70e6-d798-4b81-8c31-ed7057d677b6 | mp-560553 | Move atoms at indices [22, 8, 6, 27, 14, 15, 21, 24, 23, 16, 5, 7, 1, 9, 2, 4, 13, 26, 12, 0, 19, 17, 3, 25, 18, 11, 20, 10] by [-1.083 -3.008 -4.016] angstrom in the cif file. | data_image0
_chemical_formula_structural Ir4F24
_chemical_formula_sum "Ir4 F24"
_cell_length_a 4.92921834
_cell_length_b 8.50097651
_cell_length_c 9.30116834
_cell_angle_alpha 90.0
_cell_angle_beta 90.00008776
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ir4F24
_chemical_formula_sum "Ir4 F24"
_cell_length_a 4.92921834
_cell_length_b 8.50097651
_cell_length_c 9.30116834
_cell_angle_alpha 90.0
_cell_angle_beta 90.00008776
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveSelectedAtomsAction | c91270f2-9b74-4bdb-8ac2-3d2c6086014e | mp-1105157 | Move atoms at indices [6, 8, 17, 15, 19, 12, 13, 3, 2, 4, 10, 9, 1, 0, 18, 11, 5] by [2.356 0.608 2.743] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Nd2Mn2W2O12
_chemical_formula_sum "Rb2 Nd2 Mn2 W2 O12"
_cell_length_a 5.56756288
_cell_length_b 5.674125
_cell_length_c 9.62267506
_cell_angle_alpha 90.0
_cell_angle_beta 92.0812184
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rb2Nd2Mn2W2O12
_chemical_formula_sum "Rb2 Nd2 Mn2 W2 O12"
_cell_length_a 5.56756288
_cell_length_b 5.674125
_cell_length_c 9.62267506
_cell_angle_alpha 90.0
_cell_angle_beta 92.0812184
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 3824d3a0-f5b8-4103-9aed-6dac19ec965a | mp-18973 | Move atoms at indices [30, 18, 11, 23, 2, 1, 6, 17, 13, 0, 22, 21, 3, 8, 28, 27, 12] by [ 3.256 2.138 -0.767] angstrom in the cif file. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... |
MoveSelectedAtomsAction | 5ac7cc3d-ed16-40d8-8270-76fa24d9fbe0 | mp-1245851 | Move atoms at indices [24, 26, 54, 55, 44, 49, 39, 30, 13, 38, 48, 52, 9, 35, 22, 7, 18, 25, 46, 15, 21, 14, 36, 42] by [-1.825 2.066 -4.26 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca28Cr4N24
_chemical_formula_sum "Ca28 Cr4 N24"
_cell_length_a 11.037586
_cell_length_b 6.251168
_cell_length_c 12.978754
_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 Ca28Cr4N24
_chemical_formula_sum "Ca28 Cr4 N24"
_cell_length_a 11.037586
_cell_length_b 6.251168
_cell_length_c 12.978754
_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 | 0adc2428-66b9-4528-88cf-040258bda5e9 | mp-1205514 | Move atoms at indices [2, 6, 3, 9, 0, 7] by [-3.43 0.288 -0.35 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2PuTaO6
_chemical_formula_sum "Ba2 Pu1 Ta1 O6"
_cell_length_a 6.10192281
_cell_length_b 6.10192281
_cell_length_c 6.10192281
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Ba2PuTaO6
_chemical_formula_sum "Ba2 Pu1 Ta1 O6"
_cell_length_a 6.10192281
_cell_length_b 6.10192281
_cell_length_c 6.10192281
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... |
MoveSelectedAtomsAction | 2e01d0a9-7950-4814-9cc9-77a3a90ebd49 | mp-1073481 | Move atoms at indices [11, 3] by [-0.564 1.147 0.008] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
_space... | data_image0
_chemical_formula_structural Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
_space... |
MoveSelectedAtomsAction | 6e545f01-5443-43f9-8502-4e69d8649692 | mp-1192994 | Move atoms at indices [10, 19, 18, 3, 22, 12, 11, 17, 4] by [-3.414 3.173 -1.446] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce6Al2V2S14
_chemical_formula_sum "Ce6 Al2 V2 S14"
_cell_length_a 10.01783423
_cell_length_b 10.01783423
_cell_length_c 5.998724
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000151999997
_space_group_name_H-... | data_image0
_chemical_formula_structural Ce6Al2V2S14
_chemical_formula_sum "Ce6 Al2 V2 S14"
_cell_length_a 10.01783423
_cell_length_b 10.01783423
_cell_length_c 5.998724
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000151999997
_space_group_name_H-... |
MoveSelectedAtomsAction | 4191aa3a-06f9-4304-863a-0408b8b33f98 | mp-28507 | Move atoms at indices [38, 23, 0, 51, 45, 73, 64, 28, 67, 59, 49, 26, 24, 7, 27, 48, 17] by [-1.039 1.538 0.102] angstrom in the cif file. | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 124ea1cd-124e-448e-8382-c9eb6771e3e7 | mp-1204890 | Move atoms at indices [20, 40, 32, 1, 30, 6, 29, 10, 24, 12, 34, 23, 13, 38, 45, 31, 35, 39, 27, 25, 47, 28, 41, 5, 21] by [ 0.718 -0.55 -3.698] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4N8O36
_chemical_formula_sum "Zr4 N8 O36"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space_group... | data_image0
_chemical_formula_structural Zr4N8O36
_chemical_formula_sum "Zr4 N8 O36"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space_group... |
MoveSelectedAtomsAction | 32a4ded2-76ee-4909-a728-8ef27029b6ef | mp-1203353 | Move atoms at indices [10, 32, 20] by [-0.72 -1.823 -0.812] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr20Pb16
_chemical_formula_sum "Sr20 Pb16"
_cell_length_a 8.615907
_cell_length_b 9.02643
_cell_length_c 17.707516
_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 Sr20Pb16
_chemical_formula_sum "Sr20 Pb16"
_cell_length_a 8.615907
_cell_length_b 9.02643
_cell_length_c 17.707516
_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 | 17b864aa-c498-4de1-b578-835f3ec13796 | mp-1204185 | Move atoms at indices [59, 27, 1, 52, 33, 58, 48, 38, 36, 3, 61, 14, 35, 56, 45, 62, 26, 6, 2, 8, 34, 9, 53, 60, 50, 16, 44, 17, 46, 19, 24, 57, 63, 12, 51, 7, 23, 4, 5, 28, 64, 47, 31, 43, 40, 21, 11] by [-0.844 2. -0.34 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag12Te8W6O40
_chemical_formula_sum "Ag12 Te8 W6 O40"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... | data_image0
_chemical_formula_structural Ag12Te8W6O40
_chemical_formula_sum "Ag12 Te8 W6 O40"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... |
MoveSelectedAtomsAction | 0a8915ef-116c-4172-b7e2-2f4984c591e6 | mp-1235162 | Move atoms at indices [2, 3, 10, 9] by [-1.326 3.301 0.07 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2LiMn2O6
_chemical_formula_sum "Ba2 Li1 Mn2 O6"
_cell_length_a 6.24510184
_cell_length_b 5.64433747
_cell_length_c 5.25809243
_cell_angle_alpha 90.14061303000001
_cell_angle_beta 74.55834042
_cell_angle_gamma 116.96833983000002
_... | data_image0
_chemical_formula_structural Ba2LiMn2O6
_chemical_formula_sum "Ba2 Li1 Mn2 O6"
_cell_length_a 6.24510184
_cell_length_b 5.64433747
_cell_length_c 5.25809243
_cell_angle_alpha 90.14061303000001
_cell_angle_beta 74.55834042
_cell_angle_gamma 116.96833983000002
_... |
MoveSelectedAtomsAction | 9b89248a-8fe2-4628-acdb-e0f95e4aa4f2 | mp-1197546 | Move atoms at indices [24, 9, 8, 18, 6, 31, 23, 20, 29, 27, 5, 7, 22, 2, 26, 16] by [0.843 0.848 1.344] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Cu4As4O20
_chemical_formula_sum "Ca4 Cu4 As4 O20"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_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 Ca4Cu4As4O20
_chemical_formula_sum "Ca4 Cu4 As4 O20"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_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 | da20b62c-47e0-4811-920e-dae48bd6e603 | mp-886625 | Move atoms at indices [16, 15, 3, 12, 6, 4, 8, 7, 13, 10] by [-4.862 0.938 -1.457] 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 | e78c1a99-8508-4160-879d-d29043bffe6f | mp-672679 | Move atoms at indices [0, 16, 19, 21, 2, 15, 23, 18, 14, 3, 9, 10, 4, 1, 11, 5, 13, 6, 17, 12, 8, 22, 20, 7] by [-0.29 1.654 0.501] angstrom in the cif file. | data_image0
_chemical_formula_structural Y16In4Ir4
_chemical_formula_sum "Y16 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... | data_image0
_chemical_formula_structural Y16In4Ir4
_chemical_formula_sum "Y16 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... |
MoveSelectedAtomsAction | 55067a34-0d96-4d37-a009-651c2c93600c | mp-1209251 | Move atoms at indices [6, 4, 0, 7, 2, 1, 9, 5, 8] by [ 2.254 -0.879 -1.617] angstrom in the cif file. | data_image0
_chemical_formula_structural RbAlSe2O8
_chemical_formula_sum "Rb1 Al1 Se2 O8"
_cell_length_a 5.09350549
_cell_length_b 5.09350549
_cell_length_c 8.914435
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999336
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural RbAlSe2O8
_chemical_formula_sum "Rb1 Al1 Se2 O8"
_cell_length_a 5.09350549
_cell_length_b 5.09350549
_cell_length_c 8.914435
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999336
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 89739f44-91e9-4e47-bce8-46cb22cf1d5a | mp-14794 | Move atoms at indices [2, 19, 1, 14, 4, 10, 16, 20, 13] by [ 0.505 -1.73 4.759] angstrom in the cif file. | data_image0
_chemical_formula_structural K12Co2S8
_chemical_formula_sum "K12 Co2 S8"
_cell_length_a 9.80833811
_cell_length_b 9.80833811
_cell_length_c 7.717331
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000071999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K12Co2S8
_chemical_formula_sum "K12 Co2 S8"
_cell_length_a 9.80833811
_cell_length_b 9.80833811
_cell_length_c 7.717331
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000071999999
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 530f1191-4a1b-4223-b5e1-326963201cd0 | mp-1245942 | Move atoms at indices [7, 6, 0, 2, 8, 3, 9, 5] by [ 2.619 -3.85 -0.223] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Pb2N4
_chemical_formula_sum "Mn4 Pb2 N4"
_cell_length_a 6.18375855
_cell_length_b 6.19351817
_cell_length_c 8.73133051
_cell_angle_alpha 89.99999556
_cell_angle_beta 45.09050543000001
_cell_angle_gamma 59.94776901
_space_group_n... | data_image0
_chemical_formula_structural Mn4Pb2N4
_chemical_formula_sum "Mn4 Pb2 N4"
_cell_length_a 6.18375855
_cell_length_b 6.19351817
_cell_length_c 8.73133051
_cell_angle_alpha 89.99999556
_cell_angle_beta 45.09050543000001
_cell_angle_gamma 59.94776901
_space_group_n... |
MoveSelectedAtomsAction | 35e2d8a6-74f9-4eac-970f-c99cb3858458 | mp-1213955 | Move atoms at indices [12, 10, 24, 6, 18, 20, 25, 22, 5, 8, 15] by [-2.727 -2.701 -2.488] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
MoveSelectedAtomsAction | 814c92ab-7d04-420e-8594-27abb27504ce | mp-29778 | Move atoms at indices [1, 4, 11, 9, 18, 13, 0, 10, 12, 20, 7, 5] by [-0.785 -2.671 -3.792] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd8Ge14
_chemical_formula_sum "Nd8 Ge14"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd8Ge14
_chemical_formula_sum "Nd8 Ge14"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 77471c8a-ead1-4804-8a9c-e0cadb5b75f3 | mp-16811 | Move atoms at indices [27, 33, 14, 34, 29, 24, 16, 25, 12, 3, 17, 21, 28, 13, 0, 23, 30, 15, 9, 4, 11, 7, 32, 22, 19, 18, 1, 2, 20, 10, 31, 5, 8, 6, 26, 35] by [ 0.524 -3.254 4.278] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho8Mo4O24
_chemical_formula_sum "Ho8 Mo4 O24"
_cell_length_a 9.82081783
_cell_length_b 9.82081783
_cell_length_c 5.31611533
_cell_angle_alpha 74.81329250999998
_cell_angle_beta 74.81329250999998
_cell_angle_gamma 67.88044095
_space... | data_image0
_chemical_formula_structural Ho8Mo4O24
_chemical_formula_sum "Ho8 Mo4 O24"
_cell_length_a 9.82081783
_cell_length_b 9.82081783
_cell_length_c 5.31611533
_cell_angle_alpha 74.81329250999998
_cell_angle_beta 74.81329250999998
_cell_angle_gamma 67.88044095
_space... |
MoveSelectedAtomsAction | 6d5e517b-d827-4f75-bdde-5093c5183fca | mp-1373426 | Move atoms at indices [8, 17, 6, 13, 7, 4, 19, 0, 12, 14, 1] by [ 0.894 0.394 -0.3 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Ta2V2O12
_chemical_formula_sum "Ca4 Ta2 V2 O12"
_cell_length_a 7.75294
_cell_length_b 5.492636
_cell_length_c 5.676088649999999
_cell_angle_alpha 89.86543361
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca4Ta2V2O12
_chemical_formula_sum "Ca4 Ta2 V2 O12"
_cell_length_a 7.75294
_cell_length_b 5.492636
_cell_length_c 5.676088649999999
_cell_angle_alpha 89.86543361
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | b1ebe4be-8ab0-421c-8f31-ed1c64896f51 | mp-777558 | Move atoms at indices [86, 57, 9, 90, 49, 83, 17, 65, 82, 22, 54, 84, 85, 80, 29, 0, 74, 93, 7, 44, 23, 39, 42, 75, 48, 12, 1, 92, 81, 38, 64, 21, 33, 53, 62, 27, 70, 91, 47, 63, 56, 10, 25, 16, 73, 71, 79, 94, 43, 68, 19, 6, 61, 67, 34, 30, 51, 89] by [-1.293 3.286 1.437] angstrom in the cif file. | data_image0
_chemical_formula_structural Li32Ti3Cr13O48
_chemical_formula_sum "Li32 Ti3 Cr13 O48"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_space_g... | data_image0
_chemical_formula_structural Li32Ti3Cr13O48
_chemical_formula_sum "Li32 Ti3 Cr13 O48"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_space_g... |
MoveSelectedAtomsAction | 7fb33bee-03fb-4dd5-9473-3e201ba49aa8 | mp-556173 | Move atoms at indices [13, 26, 19, 27, 20, 8, 38, 47, 10, 23, 48, 16, 21, 30, 39, 43, 35, 41, 18, 37, 11, 42, 22, 34, 3, 6, 33, 9, 45, 40, 49, 1, 32, 17, 31, 7, 12, 0] by [-4.458 -1.724 -2.439] angstrom in the cif file. | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F12
_chemical_formula_sum "Zn1 As2 C6 S12 N12 O6 F12"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000365999... | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F12
_chemical_formula_sum "Zn1 As2 C6 S12 N12 O6 F12"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000365999... |
MoveSelectedAtomsAction | dd3f3ef8-3b08-413d-a2d2-2641f1d1bd58 | mp-28263 | Move atoms at indices [4, 14, 8, 19, 11] by [ 3.379 5.129 -1.007] angstrom in the cif file. | data_image0
_chemical_formula_structural K4H12O8
_chemical_formula_sum "K4 H12 O8"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural K4H12O8
_chemical_formula_sum "K4 H12 O8"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveSelectedAtomsAction | 1f1d5557-4f85-460e-bfd5-595b0933ee43 | mp-1217519 | Move atoms at indices [2, 17] by [-0.46 0.507 0.271] angstrom in the cif file. | data_image0
_chemical_formula_structural Th2V4Pb2O16
_chemical_formula_sum "Th2 V4 Pb2 O16"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... | data_image0
_chemical_formula_structural Th2V4Pb2O16
_chemical_formula_sum "Th2 V4 Pb2 O16"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... |
MoveSelectedAtomsAction | 6dca755d-4f98-4a0c-b968-f57fe5fd138f | mp-1106213 | Move atoms at indices [19, 6, 13, 12, 17, 4, 10, 18, 9, 8, 5, 15, 0, 16] by [-0.291 -0.63 -2.75 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Mg2Ir2O12
_chemical_formula_sum "Nd4 Mg2 Ir2 O12"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd4Mg2Ir2O12
_chemical_formula_sum "Nd4 Mg2 Ir2 O12"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | ec4ba56a-db23-4901-b4d9-51f2ad161f4b | mp-1247447 | Move atoms at indices [7, 1, 11, 5, 0, 6, 10, 2] by [ 1.123 0.85 -1.825] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Sc3MnS8
_chemical_formula_sum "Mg2 Sc3 Mn1 S8"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_space_... | data_image0
_chemical_formula_structural Mg2Sc3MnS8
_chemical_formula_sum "Mg2 Sc3 Mn1 S8"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_space_... |
MoveSelectedAtomsAction | 3063f56d-ce98-44db-82da-927fa9ab1f3c | mp-1210947 | Move atoms at indices [0, 12, 18, 10, 7, 11, 16, 15, 3] by [-1.688 0.804 4.259] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... |
MoveSelectedAtomsAction | 54443ae4-3ccd-433a-92a7-e74dc0a1712d | mp-1205853 | Move atoms at indices [2, 4, 8, 1, 9, 7] by [ 0.267 0.206 -0.777] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_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 Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_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 | 6b689a21-ba53-4ba9-a12e-45bc357ca55b | mp-1235023 | Move atoms at indices [1, 6, 3, 0] by [ 0.923 -2.073 -2.027] angstrom in the cif file. | data_image0
_chemical_formula_structural LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... | data_image0
_chemical_formula_structural LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... |
MoveSelectedAtomsAction | 85b19682-d1cd-4467-8788-3ff44e4946b0 | mp-1228731 | Move atoms at indices [29, 27, 21, 17, 24, 46, 11, 42, 0, 28, 16, 33, 30, 25, 43, 15, 19, 31, 38, 4, 37] by [0.657 1.342 1.248] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O32"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.11374492
... | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O32"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.11374492
... |
MoveSelectedAtomsAction | c4fc9a8c-71fa-4805-8c2d-ab93e3ace780 | mp-2241183 | Move atoms at indices [8, 5, 3, 4, 13, 12, 0, 2, 10, 14, 9, 6] by [-2.554 -0.417 0.32 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgNb3SiO10
_chemical_formula_sum "Mg1 Nb3 Si1 O10"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002... | data_image0
_chemical_formula_structural MgNb3SiO10
_chemical_formula_sum "Mg1 Nb3 Si1 O10"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002... |
MoveSelectedAtomsAction | 24b7a036-815d-47f3-91d7-32aa1dfd0f3b | mp-1522797 | Move atoms at indices [6] by [-2.268 -1.499 -0.689] angstrom in the cif file. | data_image0
_chemical_formula_structural BaTiNbGaO6
_chemical_formula_sum "Ba1 Ti1 Nb1 Ga1 O6"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... | data_image0
_chemical_formula_structural BaTiNbGaO6
_chemical_formula_sum "Ba1 Ti1 Nb1 Ga1 O6"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... |
MoveSelectedAtomsAction | 9e9606dc-1df8-4d82-8a0e-641df3f6e8cc | mp-1245775 | Move atoms at indices [6, 22, 26, 23, 35, 5, 14, 16, 1, 13, 31, 15, 25, 21, 8, 28, 10, 19, 3, 17, 20, 30, 18, 11, 9, 7, 27, 0, 32] by [ 2.416 -0.839 -1.169] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr12Ta8N16
_chemical_formula_sum "Sr12 Ta8 N16"
_cell_length_a 6.158844
_cell_length_b 10.799599
_cell_length_c 10.015613
_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 Sr12Ta8N16
_chemical_formula_sum "Sr12 Ta8 N16"
_cell_length_a 6.158844
_cell_length_b 10.799599
_cell_length_c 10.015613
_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 | 93f7e726-a631-453a-a749-11670400b339 | mp-2220668 | Move atoms at indices [13, 0, 3, 16, 19, 4, 10, 7, 21, 5, 17] by [-1.708 -0.97 0.099] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2MgTi6N2O11
_chemical_formula_sum "Sr2 Mg1 Ti6 N2 O11"
_cell_length_a 3.80235431
_cell_length_b 7.998764460000001
_cell_length_c 10.69973714
_cell_angle_alpha 72.97223192
_cell_angle_beta 89.99766364
_cell_angle_gamma 76.25787147
... | data_image0
_chemical_formula_structural Sr2MgTi6N2O11
_chemical_formula_sum "Sr2 Mg1 Ti6 N2 O11"
_cell_length_a 3.80235431
_cell_length_b 7.998764460000001
_cell_length_c 10.69973714
_cell_angle_alpha 72.97223192
_cell_angle_beta 89.99766364
_cell_angle_gamma 76.25787147
... |
MoveSelectedAtomsAction | 0f300757-d820-4e45-b63f-41924b69a1b4 | mp-758878 | Move atoms at indices [0, 11, 1, 3, 14, 4, 26, 19, 15, 13, 6, 8, 23, 22, 5, 16, 17, 2, 12, 9, 24] by [-5.696 -0.48 3.865] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... |
MoveSelectedAtomsAction | 945d4a9c-f7eb-401a-8683-2ae58b062609 | mp-1175561 | Move atoms at indices [12, 22, 13, 29, 3, 24, 26, 25] by [ 2.192 -3.131 2.692] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.101485
_cell_length_b 5.872855
_cell_length_c 10.069959919999999
_cell_angle_alpha 105.5057263
_cell_angle_beta 100.71809932000001
_cell_angle_gamma 90.36779529
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.101485
_cell_length_b 5.872855
_cell_length_c 10.069959919999999
_cell_angle_alpha 105.5057263
_cell_angle_beta 100.71809932000001
_cell_angle_gamma 90.36779529
... |
MoveSelectedAtomsAction | 9dda65d1-9ec2-4a4e-8f4e-a36b3693e08f | mp-1746 | Move atoms at indices [6, 4, 7, 2, 10, 1, 9, 0, 5, 11, 8] by [ 0.045 -3.688 -0.179] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4F8
_chemical_formula_sum "Mg4 F8"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_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 Mg4F8
_chemical_formula_sum "Mg4 F8"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_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 | 3c5329eb-e015-461f-bca0-096b2503bf4a | mp-1223525 | Move atoms at indices [11, 12, 6, 21, 9, 4, 5, 18, 2, 22, 15, 10] by [ 0.802 -0.306 1.277] angstrom in the cif file. | data_image0
_chemical_formula_structural KLa7Cu4O16
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... | data_image0
_chemical_formula_structural KLa7Cu4O16
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... |
MoveSelectedAtomsAction | 47513d3e-66fc-4602-8208-be81060d9e1d | mp-1110869 | Move atoms at indices [7, 3, 0, 1, 9, 8, 4, 2] by [-3.154 -0.879 -0.172] angstrom in the cif file. | data_image0
_chemical_formula_structural K2LiBiCl6
_chemical_formula_sum "K2 Li1 Bi1 Cl6"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2LiBiCl6
_chemical_formula_sum "K2 Li1 Bi1 Cl6"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveSelectedAtomsAction | 76fb497d-9d63-4d98-8b3c-442f5541cf77 | mp-541646 | Move atoms at indices [24, 7, 25, 16, 22, 26] by [-2.701 4.284 0.171] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs6Ru4Cl18
_chemical_formula_sum "Cs6 Ru4 Cl18"
_cell_length_a 7.32403622
_cell_length_b 7.32402811
_cell_length_c 17.73420393
_cell_angle_alpha 89.99982571
_cell_angle_beta 90.00021655999998
_cell_angle_gamma 120.00020056
_space_g... | data_image0
_chemical_formula_structural Cs6Ru4Cl18
_chemical_formula_sum "Cs6 Ru4 Cl18"
_cell_length_a 7.32403622
_cell_length_b 7.32402811
_cell_length_c 17.73420393
_cell_angle_alpha 89.99982571
_cell_angle_beta 90.00021655999998
_cell_angle_gamma 120.00020056
_space_g... |
MoveSelectedAtomsAction | bb2412c0-2223-49e0-9006-565a4965fbb9 | mp-1227353 | Move atoms at indices [0] by [-1.156 1.495 0.552] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4Ni2Sn4Pt2
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_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 Ce4Ni2Sn4Pt2
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_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 | 517d23de-3639-4462-a246-aa839eacf273 | mp-26157 | Move atoms at indices [10, 28, 46, 29, 8, 37, 18, 36, 13, 42, 14, 53, 0, 4, 31, 15, 62, 35, 30, 21, 59, 9, 44, 55, 39, 49, 6, 67, 68, 3, 43, 45, 50, 5, 41, 1] by [ 0.215 1.04 -1.738] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Sb4P16O48
_chemical_formula_sum "Li4 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li4Sb4P16O48
_chemical_formula_sum "Li4 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveSelectedAtomsAction | 80a8410f-6835-4b10-b357-18fc6a23455f | mp-1520897 | Move atoms at indices [9, 0, 2] by [-1.317 2.035 0.917] 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 | de872f96-cf26-4189-b106-838df350bae0 | mp-755481 | Move atoms at indices [12, 0, 11, 10, 15, 5, 1, 8, 14, 3, 6, 17] by [-0.725 -0.58 0.725] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Cl4O12
_chemical_formula_sum "Ca2 Cl4 O12"
_cell_length_a 6.71155429
_cell_length_b 6.711554289999999
_cell_length_c 7.68956939
_cell_angle_alpha 58.98193461999998
_cell_angle_beta 58.98193461999998
_cell_angle_gamma 67.75361514
... | data_image0
_chemical_formula_structural Ca2Cl4O12
_chemical_formula_sum "Ca2 Cl4 O12"
_cell_length_a 6.71155429
_cell_length_b 6.711554289999999
_cell_length_c 7.68956939
_cell_angle_alpha 58.98193461999998
_cell_angle_beta 58.98193461999998
_cell_angle_gamma 67.75361514
... |
MoveSelectedAtomsAction | c29064c1-0403-438f-abb5-43bb3762976f | mp-781738 | Move atoms at indices [22, 23, 8, 35, 10, 18, 24, 15, 14, 21, 13, 32, 52, 50, 34, 20, 6, 47, 7, 36, 1, 43, 41, 53, 49, 48, 31, 26] by [ 0.306 -4.499 -4.349] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
MoveSelectedAtomsAction | 6ec6d35f-3b4b-4940-8443-b44a16be4ed7 | mp-2227841 | Move atoms at indices [7] by [-0.954 -0.46 -1.169] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm2MgV2O8
_chemical_formula_sum "Tm2 Mg1 V2 O8"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_space_... | data_image0
_chemical_formula_structural Tm2MgV2O8
_chemical_formula_sum "Tm2 Mg1 V2 O8"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_space_... |
MoveSelectedAtomsAction | 0dde2ae8-cc29-467e-8494-4154fdd819f7 | mp-1027815 | Move atoms at indices [7, 8, 13, 6, 12, 0, 9, 14, 2, 10, 4, 1, 15, 5] by [-1.57 3.269 -2.215] 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 | b6b801c9-dc37-4287-a6bf-484e378c42f8 | mp-1021697 | Move atoms at indices [5, 1] by [-0.174 -2.781 -0.028] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12Ti2V2
_chemical_formula_sum "Mg12 Ti2 V2"
_cell_length_a 5.016739
_cell_length_b 6.090405
_cell_length_c 10.871319
_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 Mg12Ti2V2
_chemical_formula_sum "Mg12 Ti2 V2"
_cell_length_a 5.016739
_cell_length_b 6.090405
_cell_length_c 10.871319
_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 | cc4c31b7-20aa-4026-8900-f01855bfbb8b | mp-1202826 | Move atoms at indices [5, 28, 7, 9, 30, 21, 24, 18, 17, 23, 13, 16, 2, 29, 31, 6, 26, 12, 8, 19] by [-1.045 -0.912 1.403] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd8U4S20
_chemical_formula_sum "Gd8 U4 S20"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_space_g... | data_image0
_chemical_formula_structural Gd8U4S20
_chemical_formula_sum "Gd8 U4 S20"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_space_g... |
MoveSelectedAtomsAction | a2ed242b-d381-4b87-83ac-e476781639de | mp-1041071 | Move atoms at indices [12] by [-0.17 -2.388 -0.541] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Co8P8O32
_chemical_formula_sum "Mg4 Co8 P8 O32"
_cell_length_a 8.79836301
_cell_length_b 8.79836301
_cell_length_c 16.47690147
_cell_angle_alpha 60.88531827999999
_cell_angle_beta 60.88531827999999
_cell_angle_gamma 33.5818560400... | data_image0
_chemical_formula_structural Mg4Co8P8O32
_chemical_formula_sum "Mg4 Co8 P8 O32"
_cell_length_a 8.79836301
_cell_length_b 8.79836301
_cell_length_c 16.47690147
_cell_angle_alpha 60.88531827999999
_cell_angle_beta 60.88531827999999
_cell_angle_gamma 33.5818560400... |
MoveSelectedAtomsAction | ced79056-080c-4d80-960a-49e6bbb0cd2f | mp-1105286 | Move atoms at indices [2, 7, 11, 5, 4, 3, 14, 12, 13, 6, 0, 10] by [ 1.525 -2.245 -1.33 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... | data_image0
_chemical_formula_structural Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... |
MoveSelectedAtomsAction | 7deea64c-0eca-457f-bc74-d0cba80cc231 | mp-557500 | Move atoms at indices [0, 6, 4, 7, 9, 1, 5, 2, 8, 3] by [ 2.669 -1.577 -1.566] angstrom in the cif file. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... |
MoveSelectedAtomsAction | c7e8c7e5-6a9a-4ac6-8dbb-f594ac9b9089 | mp-2230050 | Move atoms at indices [1, 5, 13, 6, 17, 7, 4, 16, 18, 14, 0] by [ 0.101 -1.481 -0.09 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335
_spa... | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335
_spa... |
MoveSelectedAtomsAction | e7f26040-9ddc-4c49-b88d-949e7be4d085 | mp-1034797 | Move atoms at indices [13, 27, 25, 18, 10, 1, 6, 15, 21, 16, 9, 30, 22, 3, 28, 2, 23, 5, 12, 11, 17] by [ 2.304 -0.451 -0.429] 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 | 0fe9698d-03a3-4c51-803f-25456af470c8 | mp-1026435 | Move atoms at indices [12, 5, 11, 6, 10, 15, 3, 14, 4, 1, 8, 0, 2, 13, 7] by [-2.24 -1.728 3.298] 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 | 97db3b2a-5f81-4a1f-a2cb-acbbfcc1c38d | mp-1276479 | Move atoms at indices [22, 8, 2, 18, 3] by [3.897 2.863 2.215] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Ni10O12
_chemical_formula_sum "Na2 Ni10 O12"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.34237754000002
_s... | data_image0
_chemical_formula_structural Na2Ni10O12
_chemical_formula_sum "Na2 Ni10 O12"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.34237754000002
_s... |
MoveSelectedAtomsAction | 74e16403-be24-4fb3-aa19-d6e07e3ae81c | mp-28088 | Move atoms at indices [4, 22, 17, 14, 19, 1, 7] by [-0.035 2.792 -1.137] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca10Al4Bi12
_chemical_formula_sum "Ca10 Al4 Bi12"
_cell_length_a 4.587922
_cell_length_b 7.587673
_cell_length_c 23.580293
_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 Ca10Al4Bi12
_chemical_formula_sum "Ca10 Al4 Bi12"
_cell_length_a 4.587922
_cell_length_b 7.587673
_cell_length_c 23.580293
_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 | 6964b19d-a66c-4d0d-ba89-21aece9bcffe | mp-551214 | Move atoms at indices [5, 7, 6, 1] by [-0.584 -0.593 -1.119] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce2Cr2S4O2
_chemical_formula_sum "Ce2 Cr2 S4 O2"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960999999... | data_image0
_chemical_formula_structural Ce2Cr2S4O2
_chemical_formula_sum "Ce2 Cr2 S4 O2"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960999999... |
MoveSelectedAtomsAction | 581f422d-a3bf-4035-8aa4-435c17f2bb77 | mp-1195405 | Move atoms at indices [7, 22, 8, 23, 10, 16, 9, 6, 27, 0, 5, 14, 18, 24, 31, 4, 20, 21, 1, 12, 3, 28, 30, 26, 32, 2, 25, 11, 34, 35, 33] by [-0.516 -0.658 -1.46 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho4Mn4Cu16P12
_chemical_formula_sum "Ho4 Mn4 Cu16 P12"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_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 Ho4Mn4Cu16P12
_chemical_formula_sum "Ho4 Mn4 Cu16 P12"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 51f6019e-c8ea-4e71-8131-89149048aa0e | mp-1226187 | Move atoms at indices [20, 6, 27, 26, 9, 13, 25] by [-2.346 -0.167 0.953] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs3Rb5Se4O16
_chemical_formula_sum "Cs3 Rb5 Se4 O16"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs3Rb5Se4O16
_chemical_formula_sum "Cs3 Rb5 Se4 O16"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 5e451b3d-2aa0-4668-8ed4-cad401251130 | mp-1173945 | Move atoms at indices [19, 9, 6, 7, 2, 4, 3, 14, 12, 5, 17] by [-1.896 2.574 -0.463] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Mn4O10
_chemical_formula_sum "Li6 Mn4 O10"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_space_gro... | data_image0
_chemical_formula_structural Li6Mn4O10
_chemical_formula_sum "Li6 Mn4 O10"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_space_gro... |
MoveSelectedAtomsAction | 52e1d318-d1a0-4936-8ea4-449f60f2c8a5 | mp-1095566 | Move atoms at indices [8, 0, 11, 7, 9, 6, 10] by [-2.627 -1.336 2.53 ] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Co8B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2Co8B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 128622d4-67ea-42cb-9a8d-8a6334dd7e6a | mp-1208738 | Move atoms at indices [9, 0, 15, 7, 11, 14] by [-0.399 -2.15 -0.681] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb12Ni6Pb
_chemical_formula_sum "Tb12 Ni6 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Tb12Ni6Pb
_chemical_formula_sum "Tb12 Ni6 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... |
MoveSelectedAtomsAction | 921b0c6b-5da3-48f0-88b5-c08b557ff756 | mp-760194 | Move atoms at indices [8, 47, 29, 50, 36] by [-4.21 -2.715 -1.94 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V8F48
_chemical_formula_sum "Li8 V8 F48"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li8V8F48
_chemical_formula_sum "Li8 V8 F48"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 078d8fd7-7c55-49d0-8551-a8abf08e14c0 | mp-776000 | Move atoms at indices [22, 15, 30, 14, 1, 10, 18, 16, 3, 23, 2] by [4.247 0.024 2.988] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti3Mn2SbP6O24
_chemical_formula_sum "Ti3 Mn2 Sb1 P6 O24"
_cell_length_a 8.7677868
_cell_length_b 8.7677868
_cell_length_c 8.76778687
_cell_angle_alpha 60.14399787999999
_cell_angle_beta 60.14399787999999
_cell_angle_gamma 60.1440039... | data_image0
_chemical_formula_structural Ti3Mn2SbP6O24
_chemical_formula_sum "Ti3 Mn2 Sb1 P6 O24"
_cell_length_a 8.7677868
_cell_length_b 8.7677868
_cell_length_c 8.76778687
_cell_angle_alpha 60.14399787999999
_cell_angle_beta 60.14399787999999
_cell_angle_gamma 60.1440039... |
MoveSelectedAtomsAction | 417e73c9-80e7-49a2-ab4e-af2da4dc1289 | mp-556656 | Move atoms at indices [22, 47, 95, 53, 62, 66, 55, 0, 94, 34, 18, 86, 36, 11, 25, 44, 30, 6, 75, 3, 7, 1, 24, 31, 15, 68, 26, 91, 63, 92, 33, 41, 85] by [ 1.451 -0.166 1.473] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn12B28Cl4O52
_chemical_formula_sum "Mn12 B28 Cl4 O52"
_cell_length_a 8.77641
_cell_length_b 8.778342
_cell_length_c 12.431005
_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 Mn12B28Cl4O52
_chemical_formula_sum "Mn12 B28 Cl4 O52"
_cell_length_a 8.77641
_cell_length_b 8.778342
_cell_length_c 12.431005
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | b4a78187-1cdd-4a22-8c6c-db6b9f70d03a | mp-673174 | Move atoms at indices [31, 4, 29, 1, 13, 20, 16, 23, 28, 12, 14, 18, 8, 19, 11, 5, 25, 22, 10] by [-0.526 1.966 -0.183] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... |
MoveSelectedAtomsAction | 0e370f2b-22a6-4a19-83a9-a025efd6d888 | mp-640383 | Move atoms at indices [21, 30, 26, 5, 20, 9, 15, 25, 13, 4, 12, 18, 2, 28, 10, 7, 23, 8, 11, 0, 24, 3, 6, 1, 14, 19, 16, 31] by [-2.407 -0.639 -2.722] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho20Ni4Sb8
_chemical_formula_sum "Ho20 Ni4 Sb8"
_cell_length_a 7.90777468
_cell_length_b 8.69236289
_cell_length_c 12.08376576
_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 Ho20Ni4Sb8
_chemical_formula_sum "Ho20 Ni4 Sb8"
_cell_length_a 7.90777468
_cell_length_b 8.69236289
_cell_length_c 12.08376576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | e9fa2b29-8b0a-4562-aca8-bf4aef7b6871 | mp-1224597 | Move atoms at indices [9, 61, 42, 50, 41, 53, 60, 31, 6, 15, 27, 37, 32, 23] by [ 4.806 -0.529 -2.121] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Nb8As8O44
_chemical_formula_sum "K8 Nb8 As8 O44"
_cell_length_a 10.52112835
_cell_length_b 10.01505432
_cell_length_c 10.36661248
_cell_angle_alpha 83.00976495
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K8Nb8As8O44
_chemical_formula_sum "K8 Nb8 As8 O44"
_cell_length_a 10.52112835
_cell_length_b 10.01505432
_cell_length_c 10.36661248
_cell_angle_alpha 83.00976495
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | fc02677c-97f9-4f18-b221-9f98bd82943e | mp-557081 | Move atoms at indices [46, 0, 62, 12, 19, 69, 21, 61, 8, 38, 49, 57, 22, 47, 26, 33, 29, 60, 23, 34, 52, 67, 28, 14, 18, 42, 43, 63, 39, 27, 59, 56, 35, 10, 50, 40, 7, 66, 4, 55, 45, 41, 48, 24, 2, 32, 6, 44, 17, 15, 54, 11, 37, 1, 13, 31, 9, 53, 3] by [-1.466 -1.01 2.405] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba14Cr14O42
_chemical_formula_sum "Ba14 Cr14 O42"
_cell_length_a 5.74069414
_cell_length_b 5.74069414
_cell_length_c 32.846124
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000016
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba14Cr14O42
_chemical_formula_sum "Ba14 Cr14 O42"
_cell_length_a 5.74069414
_cell_length_b 5.74069414
_cell_length_c 32.846124
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000016
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 5f6c23c2-7fbd-44f6-a22b-c30809a8633b | mp-1202797 | Move atoms at indices [54, 24, 55, 44, 4] by [-2.328 1.496 -3.419] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag4H24C6S6Br4N12
_chemical_formula_sum "Ag4 H24 C6 S6 Br4 N12"
_cell_length_a 4.442491
_cell_length_b 8.407144
_cell_length_c 22.01302039
_cell_angle_alpha 90.0
_cell_angle_beta 101.07856111
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ag4H24C6S6Br4N12
_chemical_formula_sum "Ag4 H24 C6 S6 Br4 N12"
_cell_length_a 4.442491
_cell_length_b 8.407144
_cell_length_c 22.01302039
_cell_angle_alpha 90.0
_cell_angle_beta 101.07856111
_cell_angle_gamma 90.0
_space_group_name... |
MoveSelectedAtomsAction | 2b33b536-584d-4d8a-80ae-a3cf90914b30 | mp-4721 | Move atoms at indices [27, 11, 35, 29, 33, 32, 6, 17, 12, 7, 25, 2, 3, 18, 15, 16, 0, 4, 13, 24, 1, 9, 10, 31, 22, 5] by [-0.947 2.553 0.985] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Sb12Se20
_chemical_formula_sum "Rb4 Sb12 Se20"
_cell_length_a 8.80451087
_cell_length_b 9.69550567
_cell_length_c 13.15641808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.79824545
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Rb4Sb12Se20
_chemical_formula_sum "Rb4 Sb12 Se20"
_cell_length_a 8.80451087
_cell_length_b 9.69550567
_cell_length_c 13.15641808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.79824545
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | c260859d-c28f-4059-8217-50d8262f8393 | mp-1369271 | Move atoms at indices [17, 0, 6, 10, 4, 16, 14, 9, 2, 3, 12, 8, 7] by [ 2.309 -2.523 1.359] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2Zn4Sb2O12
_chemical_formula_sum "Ti2 Zn4 Sb2 O12"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ti2Zn4Sb2O12
_chemical_formula_sum "Ti2 Zn4 Sb2 O12"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 1037b39d-f425-46c7-a1b0-d56ef7824abc | mp-613677 | Move atoms at indices [8, 4] by [0.763 1.199 2.174] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd4Mn4Ge4
_chemical_formula_sum "Gd4 Mn4 Ge4"
_cell_length_a 3.883324
_cell_length_b 7.035758
_cell_length_c 8.062189
_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 Gd4Mn4Ge4
_chemical_formula_sum "Gd4 Mn4 Ge4"
_cell_length_a 3.883324
_cell_length_b 7.035758
_cell_length_c 8.062189
_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 | acf22973-dc65-4d61-9127-d7a8d8245aac | mp-755893 | Move atoms at indices [11] by [-0.074 2.871 -1.482] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Bi4O12
_chemical_formula_sum "Ca4 Bi4 O12"
_cell_length_a 5.75831054
_cell_length_b 6.02554523
_cell_length_c 8.33034702
_cell_angle_alpha 90.0
_cell_angle_beta 90.10598141
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ca4Bi4O12
_chemical_formula_sum "Ca4 Bi4 O12"
_cell_length_a 5.75831054
_cell_length_b 6.02554523
_cell_length_c 8.33034702
_cell_angle_alpha 90.0
_cell_angle_beta 90.10598141
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 60ae12f8-9b01-4529-a64a-83c8ef8c30c4 | mp-1041312 | Move atoms at indices [8, 0, 3, 9] by [ 1.675 -1.527 0.014] angstrom in the cif file. | data_image0
_chemical_formula_structural BaMn4O8
_chemical_formula_sum "Ba1 Mn4 O8"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaMn4O8
_chemical_formula_sum "Ba1 Mn4 O8"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | cf31d382-2efd-4648-891d-e07e9cbdd77a | mp-27353 | Move atoms at indices [2, 16, 64, 67, 11, 22, 65, 6, 28, 44] by [ 2.083 1.423 -3.004] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb12Cl24F36
_chemical_formula_sum "Sb12 Cl24 F36"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sb12Cl24F36
_chemical_formula_sum "Sb12 Cl24 F36"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | a65d4d17-8678-4fd4-921e-caf5f5bc006e | mp-1028643 | Move atoms at indices [11, 6, 3, 0, 10, 1, 2, 7, 9, 5, 4] by [ 0.047 1.92 -3.602] angstrom in the cif file. | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_name_H-M... |
MoveSelectedAtomsAction | 170f6cf5-0b9f-4076-bb47-788fdc919272 | mp-759873 | Move atoms at indices [7, 5, 1, 16, 17, 28, 32, 20, 14, 41, 4, 27, 37, 30, 2, 38, 33, 8, 21, 26, 39, 25, 19, 9, 10, 15, 13] by [-0.284 0.699 -0.499] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb16O22F4
_chemical_formula_sum "Sb16 O22 F4"
_cell_length_a 4.244161
_cell_length_b 10.515138
_cell_length_c 18.170208560000003
_cell_angle_alpha 88.98562154
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb16O22F4
_chemical_formula_sum "Sb16 O22 F4"
_cell_length_a 4.244161
_cell_length_b 10.515138
_cell_length_c 18.170208560000003
_cell_angle_alpha 88.98562154
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 6d243f64-2481-4482-841a-549b1dfed7cf | mp-734012 | Move atoms at indices [64, 54, 47, 13, 50, 41, 48, 49, 25, 34, 26, 60, 33, 57, 16, 0, 68, 38, 67, 6, 17, 11, 4, 23, 70, 27, 39, 51, 52, 32, 24, 44, 21, 29, 35, 3, 55, 63, 58, 62, 8, 2, 45, 30] by [ 0.433 -0.05 2.756] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Lu4Si16O44
_chemical_formula_sum "K8 Lu4 Si16 O44"
_cell_length_a 8.625046
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K8Lu4Si16O44
_chemical_formula_sum "K8 Lu4 Si16 O44"
_cell_length_a 8.625046
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | cd14592c-11a3-49c8-973b-eacb789666d6 | mp-2217543 | Move atoms at indices [7] by [-0.566 -0.953 -2.783] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCoP2O7
_chemical_formula_sum "Mg1 Co1 P2 O7"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962
_spa... | data_image0
_chemical_formula_structural MgCoP2O7
_chemical_formula_sum "Mg1 Co1 P2 O7"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962
_spa... |
MoveSelectedAtomsAction | c898e6d3-c859-4b3f-ac0d-6a9c57cbd902 | mp-733763 | Move atoms at indices [2, 0, 10, 28, 9, 7, 8, 26, 27, 18, 20, 15, 11, 23, 25, 21, 16, 19, 6, 14, 24, 5] by [ 1.854 3.332 -1.195] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Hg4H4O18
_chemical_formula_sum "Cr4 Hg4 H4 O18"
_cell_length_a 6.59140315
_cell_length_b 6.59140315
_cell_length_c 13.51529886
_cell_angle_alpha 72.78458591
_cell_angle_beta 72.78458591
_cell_angle_gamma 47.698904199999994
_spac... | data_image0
_chemical_formula_structural Cr4Hg4H4O18
_chemical_formula_sum "Cr4 Hg4 H4 O18"
_cell_length_a 6.59140315
_cell_length_b 6.59140315
_cell_length_c 13.51529886
_cell_angle_alpha 72.78458591
_cell_angle_beta 72.78458591
_cell_angle_gamma 47.698904199999994
_spac... |
MoveSelectedAtomsAction | 32fb2c34-7b04-459b-9efc-f50b2c0e24a7 | mp-754713 | Move atoms at indices [27, 20] by [ 5.027 -2.487 0.267] 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 | 424918a0-07c6-4870-bba7-4fe5fe4a8547 | mp-1102140 | Move atoms at indices [0, 8, 4, 2, 10] by [ 3.833 -2.811 -2.554] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_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 Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_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 | 41f063d4-cd8c-4d2c-be9e-11678cee1e2c | mp-667336 | Move atoms at indices [90, 50, 67, 55, 33, 34, 3, 23, 36, 40, 13, 6, 74, 48, 47, 78, 21, 45, 56, 39, 8, 79, 20, 38, 85, 64, 86, 11, 2, 76, 28, 31, 91, 22, 71, 10, 12, 44, 87, 15, 63, 75, 49, 25, 43, 41, 24, 73, 9, 68, 58, 7, 53, 30, 16, 84, 82, 65, 35, 42, 59] by [-2.549 -4.027 -3.749] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveSelectedAtomsAction | 5049bb26-afdb-4218-9659-e53b359b921d | mp-685281 | Move atoms at indices [12, 24, 19, 20, 8, 6, 22, 21, 11, 16, 15] by [2.334 1.666 1.083] angstrom in the cif file. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... |
MoveSelectedAtomsAction | f17d9075-fd4a-488d-97f6-694495eb3275 | mp-558102 | Move atoms at indices [11, 6, 5, 9, 15, 12, 16, 10, 1, 8, 3, 14, 13, 17, 7] by [-3.136 -0.509 0.877] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | dfb5f9ef-da8f-46fc-be86-96f3445321dd | mp-1204112 | Move atoms at indices [2, 15, 3, 7, 11, 30, 10, 0, 42, 18, 32, 34, 13] by [ 0.358 -1.994 -1.384] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
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