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 |
|---|---|---|---|---|---|
SwapAtomsAction | 3b2f4e11-0bc2-4189-a821-771a50f2c972 | mp-1111648 | Swap the spatial positions of atoms at indices 9 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2NaDyCl6
_chemical_formula_sum "K2 Na1 Dy1 Cl6"
_cell_length_a 7.58312909
_cell_length_b 7.58312909
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural ClKNaDyCl5K
_chemical_formula_sum "Cl6 K2 Na1 Dy1"
_cell_length_a 7.58312909
_cell_length_b 7.58312909
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
SwapAtomsAction | 938dd668-bc1b-4622-b6d9-8c42287b42b0 | mp-1201281 | Swap the spatial positions of atoms at indices 22 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_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 Cs4ONp3Mo4O10NpO17
_chemical_formula_sum "Cs4 O28 Np4 Mo4"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 95cf46f4-4e95-4ba3-90f7-95d6ad7b01ff | mp-1208464 | Swap the spatial positions of atoms at indices 22 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb16Mg4Co4
_chemical_formula_sum "Tb16 Mg4 Co4"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920851
_spa... | data_image0
_chemical_formula_structural Tb14CoTbMg4Co2TbCo
_chemical_formula_sum "Tb16 Co4 Mg4"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.999208... |
SwapAtomsAction | 450791e0-399a-467b-ab4f-0bd4f194865b | mp-1222170 | Swap the spatial positions of atoms at indices 5 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg3MnNi3O8
_chemical_formula_sum "Mg3 Mn1 Ni3 O8"
_cell_length_a 5.94826563
_cell_length_b 5.94826563
_cell_length_c 5.948265850000001
_cell_angle_alpha 60.51667304000001
_cell_angle_beta 60.51667304000001
_cell_angle_gamma 60.51667... | data_image0
_chemical_formula_structural Mg3MnNiONiO3NiO4
_chemical_formula_sum "Mg3 Mn1 Ni3 O8"
_cell_length_a 5.94826563
_cell_length_b 5.94826563
_cell_length_c 5.948265850000001
_cell_angle_alpha 60.51667304000001
_cell_angle_beta 60.51667304000001
_cell_angle_gamma 60... |
SwapAtomsAction | 01275b7a-0541-4004-a62a-b38c4ff97115 | mp-559052 | Swap the spatial positions of atoms at indices 8 and 38 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Nb6Bi8O28
_chemical_formula_sum "Li2 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... | data_image0
_chemical_formula_structural Li2Nb6OBi7O22BiO5
_chemical_formula_sum "Li2 Nb6 O28 Bi8"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_... |
SwapAtomsAction | 880684e2-65b0-4956-ba07-ca9239cade85 | mp-2715422 | Swap the spatial positions of atoms at indices 5 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... | data_image0
_chemical_formula_structural Na5PNa6Sc4Al4PNaP10O48
_chemical_formula_sum "Na12 P12 Sc4 Al4 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567... |
SwapAtomsAction | 84cca626-71b7-4e0f-b3d2-a7696a54e0c8 | mp-1249486 | Swap the spatial positions of atoms at indices 11 and 41 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn12Si12O48
_chemical_formula_sum "Mn12 Si12 O48"
_cell_length_a 10.01614152
_cell_length_b 10.01614152
_cell_length_c 10.01614152
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_g... | data_image0
_chemical_formula_structural Mn11OSi12O17MnO30
_chemical_formula_sum "Mn12 O48 Si12"
_cell_length_a 10.01614152
_cell_length_b 10.01614152
_cell_length_c 10.01614152
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_s... |
SwapAtomsAction | 4d9d7a67-754a-443d-b2d5-512803bee5fb | mp-557006 | Swap the spatial positions of atoms at indices 21 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Sb4S4O16F12
_chemical_formula_sum "Na8 Sb4 S4 O16 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_name_... | data_image0
_chemical_formula_structural Na5ONa2Sb4S4O5NaO10F12
_chemical_formula_sum "Na8 O16 Sb4 S4 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_gro... |
SwapAtomsAction | 6e1e3e59-2d8a-4535-8ed2-87c5c586fcfb | mp-1076741 | Swap the spatial positions of atoms at indices 10 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr6Ca2Co7CuO24
_chemical_formula_sum "Sr6 Ca2 Co7 Cu1 O24"
_cell_length_a 7.6961361
_cell_length_b 7.6961361
_cell_length_c 7.71022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.01116017000001
_space_group_name_... | data_image0
_chemical_formula_structural Sr6Ca2Co2OCo4CuO11CoO12
_chemical_formula_sum "Sr6 Ca2 Co7 O24 Cu1"
_cell_length_a 7.6961361
_cell_length_b 7.6961361
_cell_length_c 7.71022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.01116017000001
_space_gr... |
SwapAtomsAction | 6ce26bfa-d080-4851-a01e-b5f5d1054e36 | mp-1246897 | Swap the spatial positions of atoms at indices 0 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LuMg2Mn3S8
_chemical_formula_sum "Lu1 Mg2 Mn3 S8"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_space_g... | data_image0
_chemical_formula_structural SMg2Mn3S5LuS2
_chemical_formula_sum "S8 Mg2 Mn3 Lu1"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_spac... |
SwapAtomsAction | 7a6d4313-7a30-4380-ab2d-13ea224a0fe0 | mp-768624 | Swap the spatial positions of atoms at indices 5 and 41 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Fe4P4C4O28
_chemical_formula_sum "Li8 Fe4 P4 C4 O28"
_cell_length_a 5.090515
_cell_length_b 6.510724439999999
_cell_length_c 16.63003167
_cell_angle_alpha 90.54223525
_cell_angle_beta 94.86125423
_cell_angle_gamma 90.23214153
_s... | data_image0
_chemical_formula_structural Li5OLi2Fe4P4C4O21LiO6
_chemical_formula_sum "Li8 O28 Fe4 P4 C4"
_cell_length_a 5.090515
_cell_length_b 6.510724439999999
_cell_length_c 16.63003167
_cell_angle_alpha 90.54223525
_cell_angle_beta 94.86125423
_cell_angle_gamma 90.2321... |
SwapAtomsAction | 965f8bf3-ccb6-496a-8435-0ed5bdafd7bc | mp-2233834 | Swap the spatial positions of atoms at indices 7 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFe4O6F2
_chemical_formula_sum "Mg1 Fe4 O6 F2"
_cell_length_a 5.29233428
_cell_length_b 9.57097293
_cell_length_c 3.07173475
_cell_angle_alpha 90.09601163
_cell_angle_beta 90.04195788
_cell_angle_gamma 98.25807751999999
_space_gro... | data_image0
_chemical_formula_structural MgOFe3O2FeO3F2
_chemical_formula_sum "Mg1 O6 Fe4 F2"
_cell_length_a 5.29233428
_cell_length_b 9.57097293
_cell_length_c 3.07173475
_cell_angle_alpha 90.09601163
_cell_angle_beta 90.04195788
_cell_angle_gamma 98.25807751999999
_spac... |
SwapAtomsAction | 8752a646-ff41-4809-a9cd-3c81a92f9245 | mp-1218118 | Swap the spatial positions of atoms at indices 5 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrSm3Mn4O12
_chemical_formula_sum "Sr1 Sm3 Mn4 O12"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrSm3MnOMn2O10MnO
_chemical_formula_sum "Sr1 Sm3 Mn4 O12"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | c9b23f8b-1ef5-44ee-ae62-5bbcce93ac49 | mp-1247633 | Swap the spatial positions of atoms at indices 5 and 32 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrCa7Mn6Cr2O23
_chemical_formula_sum "Sr1 Ca7 Mn6 Cr2 O23"
_cell_length_a 7.63631933
_cell_length_b 7.66920445
_cell_length_c 7.69493818
_cell_angle_alpha 89.79614860000001
_cell_angle_beta 89.83821673000001
_cell_angle_gamma 89.951... | data_image0
_chemical_formula_structural SrCa4OCa2Mn6Cr2O16CaO6
_chemical_formula_sum "Sr1 Ca7 O23 Mn6 Cr2"
_cell_length_a 7.63631933
_cell_length_b 7.66920445
_cell_length_c 7.69493818
_cell_angle_alpha 89.79614860000001
_cell_angle_beta 89.83821673000001
_cell_angle_gamma ... |
SwapAtomsAction | 1d9f841e-d9ba-4636-b0c8-abc87c844f73 | mp-1102559 | Swap the spatial positions of atoms at indices 6 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb4Se8
_chemical_formula_sum "Nb4 Se8"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Nb3Se3NbSe5
_chemical_formula_sum "Nb4 Se8"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_group_name_H-M_alt ... |
SwapAtomsAction | 3d39d231-abfc-4af7-b6b8-fa40e17bb5b1 | mp-1305999 | Swap the spatial positions of atoms at indices 3 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... | data_image0
_chemical_formula_structural Li3ONi4O2TiO5
_chemical_formula_sum "Li3 O8 Ni4 Ti1"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998... |
SwapAtomsAction | b5e123a4-2d3e-4fb5-9753-8f2ce432d7cb | mp-23477 | Swap the spatial positions of atoms at indices 4 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4Bi4O12
_chemical_formula_sum "Mn4 Bi4 O12"
_cell_length_a 5.62901617
_cell_length_b 5.62945159
_cell_length_c 9.85565012
_cell_angle_alpha 91.89493016
_cell_angle_beta 105.05685774
_cell_angle_gamma 119.16396708
_space_group_nam... | data_image0
_chemical_formula_structural Mn4OBi3O11Bi
_chemical_formula_sum "Mn4 O12 Bi4"
_cell_length_a 5.62901617
_cell_length_b 5.62945159
_cell_length_c 9.85565012
_cell_angle_alpha 91.89493016
_cell_angle_beta 105.05685774
_cell_angle_gamma 119.16396708
_space_group_... |
SwapAtomsAction | 4dbd16b5-a6cf-4339-b21c-cb8d18e9cb8e | mp-1211547 | Swap the spatial positions of atoms at indices 16 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Th4O12
_chemical_formula_sum "K8 Th4 O12"
_cell_length_a 6.41860493
_cell_length_b 6.41860493
_cell_length_c 12.709467510000001
_cell_angle_alpha 85.06562274
_cell_angle_beta 85.06562274
_cell_angle_gamma 120.1051011
_space_group... | data_image0
_chemical_formula_structural K3OK4Th4O4KO7
_chemical_formula_sum "K8 O12 Th4"
_cell_length_a 6.41860493
_cell_length_b 6.41860493
_cell_length_c 12.709467510000001
_cell_angle_alpha 85.06562274
_cell_angle_beta 85.06562274
_cell_angle_gamma 120.1051011
_space_... |
SwapAtomsAction | 0cdbc963-a667-4129-82fc-3a08c31c2cb8 | mp-1196274 | Swap the spatial positions of atoms at indices 9 and 41 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4C6Cl2O30
_chemical_formula_sum "Mg4 C6 Cl2 O30"
_cell_length_a 14.05252094
_cell_length_b 14.05252094
_cell_length_c 14.05252174
_cell_angle_alpha 29.35717678999999
_cell_angle_beta 29.35717678999999
_cell_angle_gamma 29.35717676... | data_image0
_chemical_formula_structural Mg4C5OCl2O29C
_chemical_formula_sum "Mg4 C6 O30 Cl2"
_cell_length_a 14.05252094
_cell_length_b 14.05252094
_cell_length_c 14.05252174
_cell_angle_alpha 29.35717678999999
_cell_angle_beta 29.35717678999999
_cell_angle_gamma 29.357176... |
SwapAtomsAction | 004c2cfc-ebdd-4dfb-8478-11dd2092d547 | mp-800838 | Swap the spatial positions of atoms at indices 32 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2Al2P4H30O30
_chemical_formula_sum "Mn2 Al2 P4 H30 O30"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.03570302
... | data_image0
_chemical_formula_structural MnHAl2P4H24MnH5O30
_chemical_formula_sum "Mn2 H30 Al2 P4 O30"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.035703... |
SwapAtomsAction | 3a953167-97e3-41ba-8581-e01d6e8b7e35 | mp-1200810 | Swap the spatial positions of atoms at indices 23 and 51 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs16Nb8S44
_chemical_formula_sum "Cs16 Nb8 S44"
_cell_length_a 14.244914
_cell_length_b 8.242934
_cell_length_c 18.75667
_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 Cs16Nb7S28NbS16
_chemical_formula_sum "Cs16 Nb8 S44"
_cell_length_a 14.244914
_cell_length_b 8.242934
_cell_length_c 18.75667
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | e2e6f7ee-74f0-41f2-900f-63997885da45 | mp-1210133 | Swap the spatial positions of atoms at indices 26 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4Ga4P3OP4O10PO17
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | 6a855a7b-6bbd-414f-a078-0188d41e392c | mp-1227615 | Swap the spatial positions of atoms at indices 13 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce4ZrCo25
_chemical_formula_sum "Ce4 Zr1 Co25"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_space_gro... | data_image0
_chemical_formula_structural Ce4Co9ZrCo16
_chemical_formula_sum "Ce4 Co25 Zr1"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_space_... |
SwapAtomsAction | 721878ff-604a-43d5-a6df-f5ec20542329 | mp-2019122 | Swap the spatial positions of atoms at indices 10 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4Br8
_chemical_formula_sum "Sm4 Br8"
_cell_length_a 3.97962433
_cell_length_b 6.79900415
_cell_length_c 14.29591839
_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 BrSm3Br6SmBr
_chemical_formula_sum "Br8 Sm4"
_cell_length_a 3.97962433
_cell_length_b 6.79900415
_cell_length_c 14.29591839
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
SwapAtomsAction | d408ebb1-263c-4b1f-89b7-2b5eeee3a32b | mp-861565 | Swap the spatial positions of atoms at indices 18 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn7O3F9
_chemical_formula_sum "Mn7 O3 F9"
_cell_length_a 6.319617
_cell_length_b 6.36859739
_cell_length_c 6.47183273
_cell_angle_alpha 89.80964627
_cell_angle_beta 89.10617251999999
_cell_angle_gamma 89.38792207
_space_group_name_... | data_image0
_chemical_formula_structural Mn3FMn3O3F8Mn
_chemical_formula_sum "Mn7 F9 O3"
_cell_length_a 6.319617
_cell_length_b 6.36859739
_cell_length_c 6.47183273
_cell_angle_alpha 89.80964627
_cell_angle_beta 89.10617251999999
_cell_angle_gamma 89.38792207
_space_group... |
SwapAtomsAction | b9559334-02e3-4a96-afbe-d22f4f477b59 | mp-995218 | Swap the spatial positions of atoms at indices 9 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H8C10O4
_chemical_formula_sum "H8 C10 O4"
_cell_length_a 4.579524
_cell_length_b 6.002159869999999
_cell_length_c 9.11976597
_cell_angle_alpha 95.13690385
_cell_angle_beta 101.65791057000001
_cell_angle_gamma 111.98061829000001
_sp... | data_image0
_chemical_formula_structural H8COC8O3C
_chemical_formula_sum "H8 C10 O4"
_cell_length_a 4.579524
_cell_length_b 6.002159869999999
_cell_length_c 9.11976597
_cell_angle_alpha 95.13690385
_cell_angle_beta 101.65791057000001
_cell_angle_gamma 111.98061829000001
_... |
SwapAtomsAction | 763811dd-95d3-4d6f-b241-c5b6740ac46a | mp-1192592 | Swap the spatial positions of atoms at indices 20 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce6Mg23Sb
_chemical_formula_sum "Ce6 Mg23 Sb1"
_cell_length_a 10.28510572
_cell_length_b 10.28510572
_cell_length_c 10.28510572
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Ce3MgCe2Mg14CeMg8Sb
_chemical_formula_sum "Ce6 Mg23 Sb1"
_cell_length_a 10.28510572
_cell_length_b 10.28510572
_cell_length_c 10.28510572
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99... |
SwapAtomsAction | 549f13fe-cb2e-431e-910b-508669083822 | mp-1217721 | Swap the spatial positions of atoms at indices 7 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb6Al8Fe4
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... | data_image0
_chemical_formula_structural Tb6AlFeAl7Fe3
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space... |
SwapAtomsAction | 25c372a9-fbef-4c9a-8fc9-5ef7f5567c3e | mp-24508 | Swap the spatial positions of atoms at indices 16 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr4H12N4F16
_chemical_formula_sum "Zr4 H12 N4 F16"
_cell_length_a 6.146749
_cell_length_b 8.19149329
_cell_length_c 8.70000203
_cell_angle_alpha 106.9740498
_cell_angle_beta 103.99847975
_cell_angle_gamma 106.73398347
_space_group_... | data_image0
_chemical_formula_structural Zr4H12FN3F4NF11
_chemical_formula_sum "Zr4 H12 F16 N4"
_cell_length_a 6.146749
_cell_length_b 8.19149329
_cell_length_c 8.70000203
_cell_angle_alpha 106.9740498
_cell_angle_beta 103.99847975
_cell_angle_gamma 106.73398347
_space_gr... |
SwapAtomsAction | 8fad4686-8a17-4803-9697-f264ccac5cad | mp-769705 | Swap the spatial positions of atoms at indices 4 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd4Co8O16
_chemical_formula_sum "Cd4 Co8 O16"
_cell_length_a 5.066793
_cell_length_b 5.90934957
_cell_length_c 11.010851280000002
_cell_angle_alpha 89.0754837
_cell_angle_beta 89.91991697
_cell_angle_gamma 89.28698270000001
_space_... | data_image0
_chemical_formula_structural Cd4OCo7O12CoO3
_chemical_formula_sum "Cd4 O16 Co8"
_cell_length_a 5.066793
_cell_length_b 5.90934957
_cell_length_c 11.010851280000002
_cell_angle_alpha 89.0754837
_cell_angle_beta 89.91991697
_cell_angle_gamma 89.28698270000001
_s... |
SwapAtomsAction | 2e052f18-fc6c-48d9-b657-2c584d64a795 | mp-775461 | Swap the spatial positions of atoms at indices 23 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V12Fe4O32
_chemical_formula_sum "Li8 V12 Fe4 O32"
_cell_length_a 8.419902
_cell_length_b 8.419902
_cell_length_c 8.529101
_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 Li8VFeV10Fe3VO32
_chemical_formula_sum "Li8 V12 Fe4 O32"
_cell_length_a 8.419902
_cell_length_b 8.419902
_cell_length_c 8.529101
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | 97982c6a-0ead-4f70-978c-fac788feaf3d | mp-1246907 | Swap the spatial positions of atoms at indices 2 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr6Co4N8
_chemical_formula_sum "Sr6 Co4 N8"
_cell_length_a 7.06809409
_cell_length_b 8.63697807
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cell_angle_gamma 127.66064499000001
_space_g... | data_image0
_chemical_formula_structural Sr2NSr3Co4N6SrN
_chemical_formula_sum "Sr6 N8 Co4"
_cell_length_a 7.06809409
_cell_length_b 8.63697807
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cell_angle_gamma 127.66064499000001
_... |
SwapAtomsAction | 6ac10c07-43e2-450b-b357-8167a35dba07 | mp-28481 | Swap the spatial positions of atoms at indices 10 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti2Cl8O32
_chemical_formula_sum "Ti2 Cl8 O32"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_name_... | data_image0
_chemical_formula_structural Ti2Cl2OCl6O31
_chemical_formula_sum "Ti2 Cl8 O32"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_n... |
SwapAtomsAction | fac2dbdc-6cfe-44fb-b790-ef910ea83a70 | mp-2240397 | Swap the spatial positions of atoms at indices 5 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCd2Bi2O6
_chemical_formula_sum "Mg1 Cd2 Bi2 O6"
_cell_length_a 5.56458951
_cell_length_b 7.0200275
_cell_length_c 5.771075549999999
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_cell_angle_gamma 114.96516471
... | data_image0
_chemical_formula_structural MgCd2BiOBiO5
_chemical_formula_sum "Mg1 Cd2 Bi2 O6"
_cell_length_a 5.56458951
_cell_length_b 7.0200275
_cell_length_c 5.771075549999999
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_cell_angle_gamma 114.96516471... |
SwapAtomsAction | eaa9ace8-3906-4e5a-8f82-455a33bd3ab4 | mp-1031722 | Swap the spatial positions of atoms at indices 7 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg6CoBiO8
_chemical_formula_sum "Mg6 Co1 Bi1 O8"
_cell_length_a 8.95011624
_cell_length_b 4.47292553
_cell_length_c 4.47292553
_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 Mg6CoO2BiO6
_chemical_formula_sum "Mg6 Co1 O8 Bi1"
_cell_length_a 8.95011624
_cell_length_b 4.47292553
_cell_length_c 4.47292553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | a7b109aa-a1c7-4316-a7a0-b567b0b7f3f7 | mp-734012 | Swap the spatial positions of atoms at indices 31 and 1 in the cif file. The indices of atoms are started from 0. | 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 KOK6Lu4Si16O3KO40
_chemical_formula_sum "K8 O44 Lu4 Si16"
_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_... |
SwapAtomsAction | 23ed44bc-7cc4-4fc7-bdeb-526bbcd51aea | mp-1192907 | Swap the spatial positions of atoms at indices 4 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr6P4O16
_chemical_formula_sum "Cr6 P4 O16"
_cell_length_a 4.83687353
_cell_length_b 7.999447349999999
_cell_length_c 10.782286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.04748126999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cr4OCrP4O12CrO3
_chemical_formula_sum "Cr6 O16 P4"
_cell_length_a 4.83687353
_cell_length_b 7.999447349999999
_cell_length_c 10.782286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.04748126999999
_space_group_na... |
SwapAtomsAction | 22b92fb2-8be2-4d15-be15-ce81e06bf36c | mp-753597 | Swap the spatial positions of atoms at indices 1 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V2F12
_chemical_formula_sum "Li4 V2 F12"
_cell_length_a 5.230218
_cell_length_b 5.200055
_cell_length_c 9.21503242
_cell_angle_alpha 55.9918828
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural LiFLi2V2F7LiF4
_chemical_formula_sum "Li4 F12 V2"
_cell_length_a 5.230218
_cell_length_b 5.200055
_cell_length_c 9.21503242
_cell_angle_alpha 55.9918828
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 248dd4c5-a4dd-486d-b8c8-37bb1985e26c | mp-1209813 | Swap the spatial positions of atoms at indices 28 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm6Sn26Ru8
_chemical_formula_sum "Sm6 Sn26 Ru8"
_cell_length_a 9.74528079
_cell_length_b 9.745272429999998
_cell_length_c 9.74526234
_cell_angle_alpha 89.99968874999999
_cell_angle_beta 90.00098056
_cell_angle_gamma 90.00031337
_sp... | data_image0
_chemical_formula_structural Sm2SnSm3Sn22SmSn3Ru8
_chemical_formula_sum "Sm6 Sn26 Ru8"
_cell_length_a 9.74528079
_cell_length_b 9.745272429999998
_cell_length_c 9.74526234
_cell_angle_alpha 89.99968874999999
_cell_angle_beta 90.00098056
_cell_angle_gamma 90.000... |
SwapAtomsAction | 24e702ce-25bf-4bf3-8ba9-8d8bd9563d06 | mp-7152 | Swap the spatial positions of atoms at indices 5 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6
_chemical_formula_sum "Cs2 Zr2 Cu2 Se6"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural CsCuZr2CuCsSe6
_chemical_formula_sum "Cs2 Cu2 Zr2 Se6"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M_alt... |
SwapAtomsAction | e16cb481-4bd4-4f4e-a0ec-e8a8a10688b9 | mp-559593 | Swap the spatial positions of atoms at indices 22 and 1 in the cif file. The indices of atoms are started from 0. | 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 PNPS9N10PN4F6
_chemical_formula_sum "P3 N15 S9 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 117.5547063... |
SwapAtomsAction | c44c9e34-2508-4c33-ad18-a8a8d825b913 | mp-1245382 | Swap the spatial positions of atoms at indices 54 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca28V4N24
_chemical_formula_sum "Ca28 V4 N24"
_cell_length_a 11.1350611
_cell_length_b 6.32763812
_cell_length_c 12.92723831
_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 Ca12NCa15V4N22CaN
_chemical_formula_sum "Ca28 N24 V4"
_cell_length_a 11.1350611
_cell_length_b 6.32763812
_cell_length_c 12.92723831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 7e58cafd-00e4-41ea-81d8-988d0d04200e | mp-1039781 | Swap the spatial positions of atoms at indices 53 and 31 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NaMg30WO32
_chemical_formula_sum "Na1 Mg30 W1 O32"
_cell_length_a 8.565666
_cell_length_b 8.565666
_cell_length_c 8.56018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural NaMg30O22WO10
_chemical_formula_sum "Na1 Mg30 O32 W1"
_cell_length_a 8.565666
_cell_length_b 8.565666
_cell_length_c 8.56018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
SwapAtomsAction | 33d19d2d-6117-4d82-bca3-8f7fbe6b778c | mp-1182886 | Swap the spatial positions of atoms at indices 14 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al8O24
_chemical_formula_sum "Al8 O24"
_cell_length_a 5.430238
_cell_length_b 8.937896
_cell_length_c 12.15981255
_cell_angle_alpha 49.744131579999994
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural AlOAl6O6AlO17
_chemical_formula_sum "Al8 O24"
_cell_length_a 5.430238
_cell_length_b 8.937896
_cell_length_c 12.15981255
_cell_angle_alpha 49.744131579999994
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 5be6d21d-67f2-4c24-9bba-8490004ed452 | mp-774656 | Swap the spatial positions of atoms at indices 7 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5Ti6FeO16
_chemical_formula_sum "Li5 Ti6 Fe1 O16"
_cell_length_a 5.9718
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural LiTiLi3Ti2LiTi3FeO16
_chemical_formula_sum "Li5 Ti6 Fe1 O16"
_cell_length_a 5.9718
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SwapAtomsAction | bf34280b-600f-4525-b352-34f3050766cd | mp-1204504 | Swap the spatial positions of atoms at indices 9 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U4C8O24
_chemical_formula_sum "U4 C8 O24"
_cell_length_a 7.67082925
_cell_length_b 7.67082925
_cell_length_c 11.03963365
_cell_angle_alpha 83.57937007
_cell_angle_beta 83.57937007
_cell_angle_gamma 65.36059009
_space_group_name_H-M... | data_image0
_chemical_formula_structural U4C5OC2O4CO19
_chemical_formula_sum "U4 C8 O24"
_cell_length_a 7.67082925
_cell_length_b 7.67082925
_cell_length_c 11.03963365
_cell_angle_alpha 83.57937007
_cell_angle_beta 83.57937007
_cell_angle_gamma 65.36059009
_space_group_na... |
SwapAtomsAction | 5ae3feea-141c-4bed-8337-a1ffcc0a0ca7 | mp-1204422 | Swap the spatial positions of atoms at indices 1 and 55 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4P8H40N8O32
_chemical_formula_sum "Mg4 P8 H40 N8 O32"
_cell_length_a 10.578873
_cell_length_b 6.494162
_cell_length_c 12.908394680000002
_cell_angle_alpha 75.91570025
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural MgNMg2P8H40N3MgN4O32
_chemical_formula_sum "Mg4 N8 P8 H40 O32"
_cell_length_a 10.578873
_cell_length_b 6.494162
_cell_length_c 12.908394680000002
_cell_angle_alpha 75.91570025
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SwapAtomsAction | 9275f148-e0a2-4246-ac9c-c5295f548651 | mp-1196023 | Swap the spatial positions of atoms at indices 33 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc6Ni22Ge8
_chemical_formula_sum "Sc6 Ni22 Ge8"
_cell_length_a 8.07399297
_cell_length_b 8.07399297
_cell_length_c 8.429277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99718918
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural GeSc5Ni22Ge5ScGe2
_chemical_formula_sum "Ge8 Sc6 Ni22"
_cell_length_a 8.07399297
_cell_length_b 8.07399297
_cell_length_c 8.429277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99718918
_space_group_name_H-M_al... |
SwapAtomsAction | 42b3edc5-ea0e-4dd6-9fd3-34ae51cb6bf9 | mp-1022621 | Swap the spatial positions of atoms at indices 14 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg12Zn2Cu2
_chemical_formula_sum "Mg12 Zn2 Cu2"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_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 Mg10CuMgZn2MgCu
_chemical_formula_sum "Mg12 Cu2 Zn2"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | 3f484580-5a9c-462f-b04b-8d499d42ad0b | mp-1188333 | Swap the spatial positions of atoms at indices 3 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y4Co14
_chemical_formula_sum "Y4 Co14"
_cell_length_a 12.37499034
_cell_length_b 12.37499034
_cell_length_c 12.374990559999999
_cell_angle_alpha 23.14047980999999
_cell_angle_beta 23.14047980999996
_cell_angle_gamma 23.1404838999999... | data_image0
_chemical_formula_structural Y3Co6YCo8
_chemical_formula_sum "Y4 Co14"
_cell_length_a 12.37499034
_cell_length_b 12.37499034
_cell_length_c 12.374990559999999
_cell_angle_alpha 23.14047980999999
_cell_angle_beta 23.14047980999996
_cell_angle_gamma 23.1404838999... |
SwapAtomsAction | 2150e2bd-c529-45cf-b5f0-499d94cc9857 | mp-567194 | Swap the spatial positions of atoms at indices 44 and 41 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn8Nb36Ge32
_chemical_formula_sum "Mn8 Nb36 Ge32"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_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 Mn8Nb33GeNb3Ge31
_chemical_formula_sum "Mn8 Nb36 Ge32"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | c93ee382-4865-4983-8ba9-e1859f328525 | mp-1073481 | Swap the spatial positions of atoms at indices 1 and 6 in the cif file. The indices of atoms are started from 0. | 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 MgSiMg2Si2MgSi5
_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 39.7455326799999... |
SwapAtomsAction | 912db4cf-adb5-4331-b9a8-a966f3b93444 | mp-10299 | Swap the spatial positions of atoms at indices 14 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca8Pd2O12
_chemical_formula_sum "Ca8 Pd2 O12"
_cell_length_a 6.54188412
_cell_length_b 6.54188412
_cell_length_c 6.541883799999999
_cell_angle_alpha 90.60076817
_cell_angle_beta 90.60076817
_cell_angle_gamma 90.60077995999998
_spac... | data_image0
_chemical_formula_structural Ca2OCa5Pd2O4CaO7
_chemical_formula_sum "Ca8 O12 Pd2"
_cell_length_a 6.54188412
_cell_length_b 6.54188412
_cell_length_c 6.541883799999999
_cell_angle_alpha 90.60076817
_cell_angle_beta 90.60076817
_cell_angle_gamma 90.60077995999998... |
SwapAtomsAction | 3a636752-1e69-4be2-9b80-8046afd27e93 | mp-30447 | Swap the spatial positions of atoms at indices 28 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr18BiCd7Bi2CdBi15
_chemical_formula_sum "Sr18 Bi18 Cd8"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
... |
SwapAtomsAction | 628f0402-a2cb-4c18-bea2-8b47d362d758 | mp-978968 | Swap the spatial positions of atoms at indices 2 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... | data_image0
_chemical_formula_structural Ti2OTi3O3Ti
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space... |
SwapAtomsAction | 6c9a063c-e97a-4510-862e-8717daf40d62 | mp-627591 | Swap the spatial positions of atoms at indices 6 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_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 Fe6SFeSi4S8FeS7
_chemical_formula_sum "Fe8 S16 Si4"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
SwapAtomsAction | 1fe5ab5b-54e4-41a7-851e-82e52431c93b | mp-731799 | Swap the spatial positions of atoms at indices 52 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg12C6Cl6O36
_chemical_formula_sum "Mg12 C6 Cl6 O36"
_cell_length_a 7.518464
_cell_length_b 13.36744087
_cell_length_c 13.44225658
_cell_angle_alpha 116.23411858999998
_cell_angle_beta 100.70271424
_cell_angle_gamma 100.870698739999... | data_image0
_chemical_formula_structural Mg2OMg9C6Cl6O28MgO7
_chemical_formula_sum "Mg12 O36 C6 Cl6"
_cell_length_a 7.518464
_cell_length_b 13.36744087
_cell_length_c 13.44225658
_cell_angle_alpha 116.23411858999998
_cell_angle_beta 100.70271424
_cell_angle_gamma 100.87069... |
SwapAtomsAction | b04a719b-3b39-4862-b228-bb84b1963dfd | mp-849991 | Swap the spatial positions of atoms at indices 49 and 25 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li24Fe12F48
_chemical_formula_sum "Li24 Fe12 F48"
_cell_length_a 7.492188
_cell_length_b 8.78959
_cell_length_c 17.86894667
_cell_angle_alpha 60.89034093
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li24FeFFe10F13FeF34
_chemical_formula_sum "Li24 Fe12 F48"
_cell_length_a 7.492188
_cell_length_b 8.78959
_cell_length_c 17.86894667
_cell_angle_alpha 60.89034093
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | d471e913-69dd-4a5b-b0b9-07f82ca98d26 | mp-551407 | Swap the spatial positions of atoms at indices 0 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co2Se2O8
_chemical_formula_sum "Co2 Se2 O8"
_cell_length_a 4.89393738
_cell_length_b 4.89395285
_cell_length_c 6.5247723
_cell_angle_alpha 90.00732374000002
_cell_angle_beta 90.00334287
_cell_angle_gamma 112.29997095
_space_group_n... | data_image0
_chemical_formula_structural OCoSe2O7Co
_chemical_formula_sum "O8 Co2 Se2"
_cell_length_a 4.89393738
_cell_length_b 4.89395285
_cell_length_c 6.5247723
_cell_angle_alpha 90.00732374000002
_cell_angle_beta 90.00334287
_cell_angle_gamma 112.29997095
_space_group... |
SwapAtomsAction | 559f9c67-cde0-4ccb-8a05-658a8df3dd9e | mp-2526683 | Swap the spatial positions of atoms at indices 14 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... | data_image0
_chemical_formula_structural W4OW2O7WO13
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_gr... |
SwapAtomsAction | 8f1ee2f8-3630-4393-8c45-4a8e74add551 | mp-757606 | Swap the spatial positions of atoms at indices 14 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... | data_image0
_chemical_formula_structural Li4Ni3OP4O2NiO13
_chemical_formula_sum "Li4 Ni4 O16 P4"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.962... |
SwapAtomsAction | 3e81fe17-041b-41e5-b594-940cd60ed008 | mp-1229206 | Swap the spatial positions of atoms at indices 15 and 55 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaCaFe24O38
_chemical_formula_sum "Ba1 Ca1 Fe24 O38"
_cell_length_a 6.00964236
_cell_length_b 6.009527
_cell_length_c 23.330949
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.00011525
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural BaCaFe13OFe10O29FeO8
_chemical_formula_sum "Ba1 Ca1 Fe24 O38"
_cell_length_a 6.00964236
_cell_length_b 6.009527
_cell_length_c 23.330949
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.00011525
_space_group_name_H... |
SwapAtomsAction | f3199fca-379b-42a4-978e-63cfa46bbdf7 | mp-568693 | Swap the spatial positions of atoms at indices 15 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd2Al18Ni6
_chemical_formula_sum "Gd2 Al18 Ni6"
_cell_length_a 10.01121256
_cell_length_b 10.01121256
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_angle_beta 42.44124238
_cell_angle_gamma 42.44124581000001
_space_... | data_image0
_chemical_formula_structural Gd2Al13NiAl5Ni5
_chemical_formula_sum "Gd2 Al18 Ni6"
_cell_length_a 10.01121256
_cell_length_b 10.01121256
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_angle_beta 42.44124238
_cell_angle_gamma 42.44124581000001
_s... |
SwapAtomsAction | 381a3470-2aa7-46de-a1eb-0ed37f47a5d9 | mp-1516887 | Swap the spatial positions of atoms at indices 2 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu2NiWO6
_chemical_formula_sum "Eu2 Ni1 W1 O6"
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Eu2WNiO6
_chemical_formula_sum "Eu2 W1 Ni1 O6"
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
SwapAtomsAction | 6aa1259e-eccc-4cb9-a961-be5575e1d7f1 | mp-24473 | Swap the spatial positions of atoms at indices 8 and 33 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_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 Be4P4OH15N4O5HO10
_chemical_formula_sum "Be4 P4 O16 H16 N4"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | 834f10b1-b7af-44ed-9207-1cdf16f9d30d | mp-1040902 | Swap the spatial positions of atoms at indices 36 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Cr8P8O32
_chemical_formula_sum "Mg4 Cr8 P8 O32"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_space_... | data_image0
_chemical_formula_structural MgOMg2Cr8P8O16MgO15
_chemical_formula_sum "Mg4 O32 Cr8 P8"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
... |
SwapAtomsAction | 8717289e-2ffb-4ace-875d-d15eba7fd85b | mp-1028063 | Swap the spatial positions of atoms at indices 4 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14MnGa
_chemical_formula_sum "Mg14 Mn1 Ga1"
_cell_length_a 6.24922299
_cell_length_b 6.2492225
_cell_length_c 10.26103103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000262
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg4GaMg9MnMg
_chemical_formula_sum "Mg14 Ga1 Mn1"
_cell_length_a 6.24922299
_cell_length_b 6.2492225
_cell_length_c 10.26103103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000262
_space_group_name_H-M_alt ... |
SwapAtomsAction | ec263691-8610-4407-949a-cb77c53ce3e3 | mp-1040902 | Swap the spatial positions of atoms at indices 20 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Cr8P8O32
_chemical_formula_sum "Mg4 Cr8 P8 O32"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_space_... | data_image0
_chemical_formula_structural Mg4Cr8P3OP5O31
_chemical_formula_sum "Mg4 Cr8 P8 O32"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_spa... |
SwapAtomsAction | 69e05b01-ef07-4d13-ac28-84734d136d90 | mp-1194492 | Swap the spatial positions of atoms at indices 2 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al4Te2S2O18
_chemical_formula_sum "Al4 Te2 S2 O18"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Al2OAlTe2S2O16AlO
_chemical_formula_sum "Al4 O18 Te2 S2"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | 0c87ab46-99c4-4157-a471-ccef9646429b | mp-2228468 | Swap the spatial positions of atoms at indices 12 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2MgFe4O7
_chemical_formula_sum "K2 Mg1 Fe4 O7"
_cell_length_a 5.23201274
_cell_length_b 5.24588937
_cell_length_c 8.378485240000002
_cell_angle_alpha 90.22688139999998
_cell_angle_beta 89.88624041
_cell_angle_gamma 120.087831429999... | data_image0
_chemical_formula_structural K2MgFe3O6FeO
_chemical_formula_sum "K2 Mg1 Fe4 O7"
_cell_length_a 5.23201274
_cell_length_b 5.24588937
_cell_length_c 8.378485240000002
_cell_angle_alpha 90.22688139999998
_cell_angle_beta 89.88624041
_cell_angle_gamma 120.087831429... |
SwapAtomsAction | 7b47e96e-8738-4c60-b13e-dfdc10ddc534 | mp-28131 | Swap the spatial positions of atoms at indices 21 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural C4Se16Br8
_chemical_formula_sum "C4 Se16 Br8"
_cell_length_a 4.37646079
_cell_length_b 8.5751867
_cell_length_c 21.39891138
_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 CBrC2Se16BrCBr6
_chemical_formula_sum "C4 Br8 Se16"
_cell_length_a 4.37646079
_cell_length_b 8.5751867
_cell_length_c 21.39891138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | fac5cf03-5026-4708-a638-6f5db391cf02 | mp-674849 | Swap the spatial positions of atoms at indices 2 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl2Bi2F8
_chemical_formula_sum "Tl2 Bi2 F8"
_cell_length_a 3.70604173
_cell_length_b 8.34217287
_cell_length_c 6.30028742
_cell_angle_alpha 97.25011112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Tl2FBiF6BiF
_chemical_formula_sum "Tl2 F8 Bi2"
_cell_length_a 3.70604173
_cell_length_b 8.34217287
_cell_length_c 6.30028742
_cell_angle_alpha 97.25011112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | e71fadbc-680c-4c77-8994-f9682608d1e1 | mp-1225526 | Swap the spatial positions of atoms at indices 6 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu4Ga8As8
_chemical_formula_sum "Eu4 Ga8 As8"
_cell_length_a 4.0458443
_cell_length_b 9.48302424
_cell_length_c 12.43216053
_cell_angle_alpha 95.17219509
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Eu3Ga3EuGa5As8
_chemical_formula_sum "Eu4 Ga8 As8"
_cell_length_a 4.0458443
_cell_length_b 9.48302424
_cell_length_c 12.43216053
_cell_angle_alpha 95.17219509
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | c0f3bfc8-f848-4922-8d0c-79ab3419e76b | mp-1228691 | Swap the spatial positions of atoms at indices 2 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al4GaSb5
_chemical_formula_sum "Al4 Ga1 Sb5"
_cell_length_a 11.65411469
_cell_length_b 11.65411469
_cell_length_c 11.65411469
_cell_angle_alpha 158.18816389000003
_cell_angle_beta 149.02009783
_cell_angle_gamma 38.20925421
_space_g... | data_image0
_chemical_formula_structural Al2SbAlGaAlSb4
_chemical_formula_sum "Al4 Sb5 Ga1"
_cell_length_a 11.65411469
_cell_length_b 11.65411469
_cell_length_c 11.65411469
_cell_angle_alpha 158.18816389000003
_cell_angle_beta 149.02009783
_cell_angle_gamma 38.20925421
_s... |
SwapAtomsAction | c201c44e-b271-400f-b3db-910d1989f0e9 | mp-1030107 | Swap the spatial positions of atoms at indices 11 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te6MoW3Se2
_chemical_formula_sum "Te6 Mo1 W3 Se2"
_cell_length_a 3.49799566
_cell_length_b 3.49799566
_cell_length_c 39.67632
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999347999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural SeTe5MoW3SeTe
_chemical_formula_sum "Se2 Te6 Mo1 W3"
_cell_length_a 3.49799566
_cell_length_b 3.49799566
_cell_length_c 39.67632
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999347999999
_space_group_name_H-... |
SwapAtomsAction | df924730-9f02-41eb-99ac-d6be1a59fed9 | mp-1193261 | Swap the spatial positions of atoms at indices 0 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4H4C4N8O8
_chemical_formula_sum "Cs4 H4 C4 N8 O8"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural NCs3H4C4N2CsN5O8
_chemical_formula_sum "N8 Cs4 H4 C4 O8"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_name... |
SwapAtomsAction | c8b4e485-bf71-4a96-a162-e15097a52460 | mp-1195825 | Swap the spatial positions of atoms at indices 19 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si12Br24
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... | data_image0
_chemical_formula_structural Si2BrSi9Br7SiBr16
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999... |
SwapAtomsAction | ed11dfc6-6f0e-445d-8315-67fd1bfd4daa | mp-14485 | Swap the spatial positions of atoms at indices 3 and 29 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Ta14O38
_chemical_formula_sum "La2 Ta14 O38"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999999
_sp... | data_image0
_chemical_formula_structural La2TaOTa12O13TaO24
_chemical_formula_sum "La2 Ta14 O38"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999... |
SwapAtomsAction | ae30c6e4-fc68-4412-89ec-fcf69f1dbc61 | mp-771907 | Swap the spatial positions of atoms at indices 9 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn5Sn3O16
_chemical_formula_sum "Li4 Mn5 Sn3 O16"
_cell_length_a 6.09524183
_cell_length_b 6.09524183
_cell_length_c 9.86586282
_cell_angle_alpha 89.44622145
_cell_angle_beta 89.44622145
_cell_angle_gamma 60.38381201
_space_grou... | data_image0
_chemical_formula_structural Li4Mn5OSn2O3SnO12
_chemical_formula_sum "Li4 Mn5 O16 Sn3"
_cell_length_a 6.09524183
_cell_length_b 6.09524183
_cell_length_c 9.86586282
_cell_angle_alpha 89.44622145
_cell_angle_beta 89.44622145
_cell_angle_gamma 60.38381201
_space... |
SwapAtomsAction | 766e9c77-6f1f-44da-9111-c3419b4b0368 | mp-768066 | Swap the spatial positions of atoms at indices 9 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Mn10Fe8O36
_chemical_formula_sum "Li8 Mn10 Fe8 O36"
_cell_length_a 2.909926
_cell_length_b 9.11755
_cell_length_c 24.90984087
_cell_angle_alpha 89.81857954
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8MnFeMn8Fe5MnFe2O36
_chemical_formula_sum "Li8 Mn10 Fe8 O36"
_cell_length_a 2.909926
_cell_length_b 9.11755
_cell_length_c 24.90984087
_cell_angle_alpha 89.81857954
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | 7fd5b06f-07fa-48b0-b794-f742fab373c4 | mp-1227514 | Swap the spatial positions of atoms at indices 2 and 15 in the cif file. The indices of atoms are started from 0. | 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 Ca2OCaGa4Ge2O5CaO8
_chemical_formula_sum "Ca4 O14 Ga4 Ge2"
_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_nam... |
SwapAtomsAction | 2f860b8d-1a61-4f46-b30a-043a071a6b44 | mp-1195695 | Swap the spatial positions of atoms at indices 30 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H24C8I2N2O4F4
_chemical_formula_sum "H24 C8 I2 N2 O4 F4"
_cell_length_a 9.5067812
_cell_length_b 9.506781199999999
_cell_length_c 5.63556707
_cell_angle_alpha 88.75665673999998
_cell_angle_beta 88.75665673999998
_cell_angle_gamma 10... | data_image0
_chemical_formula_structural H7CH16C6HCI2N2O4F4
_chemical_formula_sum "H24 C8 I2 N2 O4 F4"
_cell_length_a 9.5067812
_cell_length_b 9.506781199999999
_cell_length_c 5.63556707
_cell_angle_alpha 88.75665673999998
_cell_angle_beta 88.75665673999998
_cell_angle_gamma ... |
SwapAtomsAction | 52c69cf3-8c71-4c3c-8aec-5c6dbf088f75 | mp-1217523 | Swap the spatial positions of atoms at indices 11 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural TbIn7Cu5
_chemical_formula_sum "Tb1 In7 Cu5"
_cell_length_a 7.26591118
_cell_length_b 7.265911180000001
_cell_length_c 7.26591118
_cell_angle_alpha 134.31993762
_cell_angle_beta 98.72351159
_cell_angle_gamma 98.60776085
_space_grou... | data_image0
_chemical_formula_structural TbIn2CuIn4Cu3InCu
_chemical_formula_sum "Tb1 In7 Cu5"
_cell_length_a 7.26591118
_cell_length_b 7.265911180000001
_cell_length_c 7.26591118
_cell_angle_alpha 134.31993762
_cell_angle_beta 98.72351159
_cell_angle_gamma 98.60776085
_s... |
SwapAtomsAction | 53b5a3c4-0fe3-4783-944c-8efe06bdc8e1 | mp-22106 | Swap the spatial positions of atoms at indices 1 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4Ni4O12
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_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 NdONd2Ni4O11Nd
_chemical_formula_sum "Nd4 O12 Ni4"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | af918c8e-2a9b-4fa4-a872-9273fbfd16e6 | mp-755550 | Swap the spatial positions of atoms at indices 13 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Cr2Fe2O8
_chemical_formula_sum "Li4 Cr2 Fe2 O8"
_cell_length_a 5.153227
_cell_length_b 5.17358829
_cell_length_c 5.95031247
_cell_angle_alpha 106.75159283
_cell_angle_beta 89.97635108000001
_cell_angle_gamma 99.57876288
_space_g... | data_image0
_chemical_formula_structural Li4OCrFe2O5CrO2
_chemical_formula_sum "Li4 O8 Cr2 Fe2"
_cell_length_a 5.153227
_cell_length_b 5.17358829
_cell_length_c 5.95031247
_cell_angle_alpha 106.75159283
_cell_angle_beta 89.97635108000001
_cell_angle_gamma 99.57876288
_spa... |
SwapAtomsAction | ff1b672d-2b32-4ccf-b062-8cae45abfc5e | mp-1198511 | Swap the spatial positions of atoms at indices 24 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb6Co8Ge26
_chemical_formula_sum "Tb6 Co8 Ge26"
_cell_length_a 8.781663
_cell_length_b 8.781663
_cell_length_c 8.781663
_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 Tb5GeCo8Ge10TbGe15
_chemical_formula_sum "Tb6 Ge26 Co8"
_cell_length_a 8.781663
_cell_length_b 8.781663
_cell_length_c 8.781663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 4366d704-a210-4b3b-ae08-333ea94088a8 | mp-721707 | Swap the spatial positions of atoms at indices 24 and 40 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... | data_image0
_chemical_formula_structural H24NC11N4CN11O12
_chemical_formula_sum "H24 N16 C12 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.8622... |
SwapAtomsAction | 68c41fba-e7f5-45cc-9a5d-882c18bd6050 | mp-690490 | Swap the spatial positions of atoms at indices 10 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4V4O16
_chemical_formula_sum "Ti4 V4 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_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 Ti4V2OVO2VO13
_chemical_formula_sum "Ti4 V4 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
SwapAtomsAction | f0cf2adf-0855-4b61-9aa1-9c918e3c7be6 | mp-753615 | Swap the spatial positions of atoms at indices 11 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3OFO2FOF2
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_gro... |
SwapAtomsAction | 23e1e188-8c1f-4993-8137-766aa523e64d | mp-759690 | Swap the spatial positions of atoms at indices 27 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2H16N4F12
_chemical_formula_sum "Mn2 H16 N4 F12"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn2H4FH11N4F5HF6
_chemical_formula_sum "Mn2 H16 F12 N4"
_cell_length_a 5.9480205
_cell_length_b 5.9480205
_cell_length_c 9.53639
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000556999998
_space_group_name_H-... |
SwapAtomsAction | f5560d40-5c3e-4035-863a-5e71e6fad0bb | mp-1032333 | Swap the spatial positions of atoms at indices 2 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural RbMg6CoO8
_chemical_formula_sum "Rb1 Mg6 Co1 O8"
_cell_length_a 9.05642871
_cell_length_b 4.41706245
_cell_length_c 4.41706245
_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 RbMgOMg4CoO5MgO2
_chemical_formula_sum "Rb1 Mg6 O8 Co1"
_cell_length_a 9.05642871
_cell_length_b 4.41706245
_cell_length_c 4.41706245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 7384ebd2-affd-47ff-bc54-dea0227be776 | mp-752915 | Swap the spatial positions of atoms at indices 3 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiV2Si2O8
_chemical_formula_sum "Li1 V2 Si2 O8"
_cell_length_a 4.86263869
_cell_length_b 4.86263869
_cell_length_c 6.26437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.3598841
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural LiV2OSiO4SiO3
_chemical_formula_sum "Li1 V2 O8 Si2"
_cell_length_a 4.86263869
_cell_length_b 4.86263869
_cell_length_c 6.26437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.3598841
_space_group_name_H-M_alt ... |
SwapAtomsAction | 2b6970a9-b35f-40bd-82ef-68130da92236 | mp-27013 | Swap the spatial positions of atoms at indices 95 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... | data_image0
_chemical_formula_structural Li11OLi6V6P16O55LiO2
_chemical_formula_sum "Li18 O58 V6 P16"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_gro... |
SwapAtomsAction | 1378b9c1-1c41-41d9-9641-3e7307098a5c | mp-1212621 | Swap the spatial positions of atoms at indices 10 and 40 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H8C12N4Cl4O4F16
_chemical_formula_sum "H8 C12 N4 Cl4 O4 F16"
_cell_length_a 5.636126
_cell_length_b 10.184876
_cell_length_c 12.25699182
_cell_angle_alpha 80.86539727000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural H8C2FC9N4Cl4O4F8CF7
_chemical_formula_sum "H8 C12 F16 N4 Cl4 O4"
_cell_length_a 5.636126
_cell_length_b 10.184876
_cell_length_c 12.25699182
_cell_angle_alpha 80.86539727000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SwapAtomsAction | 776af234-b7c4-4824-94fd-05fd45290516 | mp-556552 | Swap the spatial positions of atoms at indices 56 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K16V4P8S36
_chemical_formula_sum "K16 V4 P8 S36"
_cell_length_a 6.905224
_cell_length_b 13.085006
_cell_length_c 19.592518
_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 K16V4P7S29PS7
_chemical_formula_sum "K16 V4 P8 S36"
_cell_length_a 6.905224
_cell_length_b 13.085006
_cell_length_c 19.592518
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | 3155e485-e898-48eb-9bd9-ad4c75968dc5 | mp-753988 | Swap the spatial positions of atoms at indices 4 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4Cr4O12
_chemical_formula_sum "V4 Cr4 O12"
_cell_length_a 5.03078224
_cell_length_b 5.40156481
_cell_length_c 7.36508051
_cell_angle_alpha 83.90028352
_cell_angle_beta 89.90972671000002
_cell_angle_gamma 89.83364971
_space_group_n... | data_image0
_chemical_formula_structural V4OCr3O9CrO2
_chemical_formula_sum "V4 O12 Cr4"
_cell_length_a 5.03078224
_cell_length_b 5.40156481
_cell_length_c 7.36508051
_cell_angle_alpha 83.90028352
_cell_angle_beta 89.90972671000002
_cell_angle_gamma 89.83364971
_space_gro... |
SwapAtomsAction | 1b9d0bfe-7745-4ac0-9313-38aa2e9e95f8 | mp-1196228 | Swap the spatial positions of atoms at indices 59 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V12Fe8O48
_chemical_formula_sum "V12 Fe8 O48"
_cell_length_a 8.584075
_cell_length_b 9.447324
_cell_length_c 12.287255
_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 V12OFe7O39FeO8
_chemical_formula_sum "V12 O48 Fe8"
_cell_length_a 8.584075
_cell_length_b 9.447324
_cell_length_c 12.287255
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
SwapAtomsAction | aa6b0e93-8e10-437c-a694-ee8611f43d16 | mp-1192151 | Swap the spatial positions of atoms at indices 15 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... | data_image0
_chemical_formula_structural Rb3AsZn10AsRbAs6
_chemical_formula_sum "Rb4 As8 Zn10"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_gro... |
SwapAtomsAction | 17a21d72-dd3c-4fed-b549-8cb443039d78 | mp-1520792 | Swap the spatial positions of atoms at indices 3 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KLaZrTiO6
_chemical_formula_sum "K1 La1 Zr1 Ti1 O6"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.00... | data_image0
_chemical_formula_structural KLaZrOTiO5
_chemical_formula_sum "K1 La1 Zr1 O6 Ti1"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.0... |
SwapAtomsAction | 42592f97-7e10-4972-8f53-5fafb492fbb6 | mp-1521867 | Swap the spatial positions of atoms at indices 3 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KBaNdWO6
_chemical_formula_sum "K1 Ba1 Nd1 W1 O6"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KWNdBaO6
_chemical_formula_sum "K1 W1 Nd1 Ba1 O6"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... |
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