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 | 282dd9b3-e123-41f6-bcaa-489702d3f6ea | mp-12241 | Swap the spatial positions of atoms at indices 15 and 34 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca22Sb20
_chemical_formula_sum "Ca22 Sb20"
_cell_length_a 12.0175782
_cell_length_b 12.017578059999998
_cell_length_c 12.10675775
_cell_angle_alpha 119.75662422
_cell_angle_beta 119.75662842000001
_cell_angle_gamma 90.00000316000002... | data_image0
_chemical_formula_structural Ca15SbCa6Sb12CaSb7
_chemical_formula_sum "Ca22 Sb20"
_cell_length_a 12.0175782
_cell_length_b 12.017578059999998
_cell_length_c 12.10675775
_cell_angle_alpha 119.75662422
_cell_angle_beta 119.75662842000001
_cell_angle_gamma 90.0000... |
SwapAtomsAction | 8666381e-75eb-4e3f-8dd7-6446b224854c | mp-1247135 | Swap the spatial positions of atoms at indices 8 and 32 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si14Ge2N20
_chemical_formula_sum "Si14 Ge2 N20"
_cell_length_a 6.9613158
_cell_length_b 6.750121
_cell_length_c 9.777887800000002
_cell_angle_alpha 90.0
_cell_angle_beta 106.51030843999999
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Si8NSi5Ge2N16SiN3
_chemical_formula_sum "Si14 N20 Ge2"
_cell_length_a 6.9613158
_cell_length_b 6.750121
_cell_length_c 9.777887800000002
_cell_angle_alpha 90.0
_cell_angle_beta 106.51030843999999
_cell_angle_gamma 90.0
_space_group... |
SwapAtomsAction | 79cc5b4d-0cf8-4103-9ed4-ba73a3ee2e34 | mp-1179664 | Swap the spatial positions of atoms at indices 40 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V8Hg8O28
_chemical_formula_sum "V8 Hg8 O28"
_cell_length_a 3.457299
_cell_length_b 19.266052
_cell_length_c 12.002204
_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 V8HgOHg6O24HgO3
_chemical_formula_sum "V8 Hg8 O28"
_cell_length_a 3.457299
_cell_length_b 19.266052
_cell_length_c 12.002204
_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 | 918c9d27-98ea-4388-81cf-2b2eb21ae6dc | mp-1095216 | Swap the spatial positions of atoms at indices 0 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural ONdAs2O2NdO5
_chemical_formula_sum "O8 Nd2 As2"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.92896... |
SwapAtomsAction | 481f61b5-0a66-41c6-a81c-d14c52f58c9d | mp-1225453 | Swap the spatial positions of atoms at indices 47 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er14Ag51
_chemical_formula_sum "Er14 Ag51"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 9.34994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Er9AgEr4Ag33ErAg17
_chemical_formula_sum "Er14 Ag51"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 9.34994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_space_group_name_H-M... |
SwapAtomsAction | 1acefa13-20ba-481c-8aa0-cb464b4c4785 | mp-1217519 | 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 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 ThV2ThV2Pb2O16
_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
_spa... |
SwapAtomsAction | afd8061e-0c58-4a9e-acf6-edf201fa178f | mp-1039565 | 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 Ce2Mg10
_chemical_formula_sum "Ce2 Mg10"
_cell_length_a 5.24575518
_cell_length_b 3.09210841
_cell_length_c 17.95839835
_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 CeMg6CeMg4
_chemical_formula_sum "Ce2 Mg10"
_cell_length_a 5.24575518
_cell_length_b 3.09210841
_cell_length_c 17.95839835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
SwapAtomsAction | e2aabb1f-c49c-42dd-b23a-9e32cda9fefa | mp-627601 | Swap the spatial positions of atoms at indices 3 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag4Sb4S8
_chemical_formula_sum "Ag4 Sb4 S8"
_cell_length_a 7.44579064
_cell_length_b 7.44579064
_cell_length_c 13.57904443
_cell_angle_alpha 84.22146683
_cell_angle_beta 84.22146683
_cell_angle_gamma 45.79840505
_space_group_name_H... | data_image0
_chemical_formula_structural Ag3SSb4S4AgS3
_chemical_formula_sum "Ag4 S8 Sb4"
_cell_length_a 7.44579064
_cell_length_b 7.44579064
_cell_length_c 13.57904443
_cell_angle_alpha 84.22146683
_cell_angle_beta 84.22146683
_cell_angle_gamma 45.79840505
_space_group_n... |
SwapAtomsAction | 7f8ef2c2-ff7a-4aba-beee-021a06e10221 | mp-559593 | Swap the spatial positions of atoms at indices 15 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 PNPS9N3PN11F6
_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 | d18e8713-4f1f-452d-a584-3d9cf044b21b | mp-1576333 | 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 Mn2Al2W4O16
_chemical_formula_sum "Mn2 Al2 W4 O16"
_cell_length_a 5.12278566
_cell_length_b 5.674278
_cell_length_c 9.27022947
_cell_angle_alpha 90.00001642999999
_cell_angle_beta 91.56680175999999
_cell_angle_gamma 90.0000422000000... | data_image0
_chemical_formula_structural MnOAl2W4O11MnO4
_chemical_formula_sum "Mn2 O16 Al2 W4"
_cell_length_a 5.12278566
_cell_length_b 5.674278
_cell_length_c 9.27022947
_cell_angle_alpha 90.00001642999999
_cell_angle_beta 91.56680175999999
_cell_angle_gamma 90.000042200... |
SwapAtomsAction | 084db089-efa9-4d3e-ad23-974263c0d250 | mp-1190028 | Swap the spatial positions of atoms at indices 4 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm3Al9Ni6
_chemical_formula_sum "Tm3 Al9 Ni6"
_cell_length_a 8.89713641
_cell_length_b 8.89713641
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural AlTm2AlTmAl7Ni6
_chemical_formula_sum "Al9 Tm3 Ni6"
_cell_length_a 8.89713641
_cell_length_b 8.89713641
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H... |
SwapAtomsAction | a7a47ca0-628f-416c-bd28-2f9177b7b1b8 | mp-1198979 | Swap the spatial positions of atoms at indices 4 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K6Na14MgTl18
_chemical_formula_sum "K6 Na14 Mg1 Tl18"
_cell_length_a 10.60143563
_cell_length_b 10.60143563
_cell_length_c 10.60143563
_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 K4NaKNaKNa12MgTl18
_chemical_formula_sum "K6 Na14 Mg1 Tl18"
_cell_length_a 10.60143563
_cell_length_b 10.60143563
_cell_length_c 10.60143563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SwapAtomsAction | a31245ff-c912-46a5-a7c8-a52f30bd607e | mp-1272968 | Swap the spatial positions of atoms at indices 0 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2V4O8
_chemical_formula_sum "Na2 V4 O8"
_cell_length_a 5.19210069
_cell_length_b 5.94416701
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43049897
_cell_angle_gamma 89.99560242
_space_group_... | data_image0
_chemical_formula_structural ONaV4ONaO6
_chemical_formula_sum "O8 Na2 V4"
_cell_length_a 5.19210069
_cell_length_b 5.94416701
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43049897
_cell_angle_gamma 89.99560242
_space_gro... |
SwapAtomsAction | efb3db3a-fb8d-48cb-b4d3-4abd31922186 | mp-1191019 | Swap the spatial positions of atoms at indices 18 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er2Mn12P7
_chemical_formula_sum "Er2 Mn12 P7"
_cell_length_a 9.28351044
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Er2PMn11P4MnP2
_chemical_formula_sum "Er2 P7 Mn12"
_cell_length_a 9.28351044
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_alt ... |
SwapAtomsAction | 9e9f926b-7c08-46a3-8bb1-9d840714a77f | mp-1216954 | Swap the spatial positions of atoms at indices 5 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm5Sc2TmSc4Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space... |
SwapAtomsAction | 4d2910b2-6a1e-43cb-bac7-c659c5720607 | mp-1359492 | Swap the spatial positions of atoms at indices 10 and 37 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Zn2Cu2Bi4F28
_chemical_formula_sum "Ba4 Zn2 Cu2 Bi4 F28"
_cell_length_a 7.76955665
_cell_length_b 7.76955665
_cell_length_c 16.18337066
_cell_angle_alpha 89.94437581999999
_cell_angle_beta 89.94437581999999
_cell_angle_gamma 40.4... | data_image0
_chemical_formula_structural Ba4Zn2Cu2Bi2FBiF25BiF2
_chemical_formula_sum "Ba4 Zn2 Cu2 Bi4 F28"
_cell_length_a 7.76955665
_cell_length_b 7.76955665
_cell_length_c 16.18337066
_cell_angle_alpha 89.94437581999999
_cell_angle_beta 89.94437581999999
_cell_angle_gamma ... |
SwapAtomsAction | 0a81e710-32cb-407c-a658-6314aecb6083 | mp-1209592 | Swap the spatial positions of atoms at indices 1 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P8O24
_chemical_formula_sum "P8 O24"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural POP6O4PO19
_chemical_formula_sum "P8 O24"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | 918babd4-9cfa-40c7-a2f2-3bdcc9adde61 | mp-1303460 | Swap the spatial positions of atoms at indices 8 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Co4C8O24
_chemical_formula_sum "Li4 Co4 C8 O24"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 9.35274032
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999998
_cell_angle_gamma 103.20683676... | data_image0
_chemical_formula_structural Li4Co4OC7O10CO13
_chemical_formula_sum "Li4 Co4 O24 C8"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 9.35274032
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999998
_cell_angle_gamma 103.206... |
SwapAtomsAction | 8d39a8bc-78b5-49a4-abe6-293a2bc0049d | mp-26941 | Swap the spatial positions of atoms at indices 6 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_space_g... | data_image0
_chemical_formula_structural Li4Mn2OMnP4O2MnO13
_chemical_formula_sum "Li4 Mn4 O16 P4"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_... |
SwapAtomsAction | ec5f4f4c-d36e-491d-a01b-705d66c5246d | mp-1200198 | Swap the spatial positions of atoms at indices 9 and 81 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd8Cu8P8S4O68
_chemical_formula_sum "Cd8 Cu8 P8 S4 O68"
_cell_length_a 10.571198
_cell_length_b 20.939412
_cell_length_c 6.042704
_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 Cd8CuOCu6P8S4O53CuO14
_chemical_formula_sum "Cd8 Cu8 O68 P8 S4"
_cell_length_a 10.571198
_cell_length_b 20.939412
_cell_length_c 6.042704
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | 725c389f-50d3-4454-b28c-560a62d6de54 | mp-1193000 | Swap the spatial positions of atoms at indices 3 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NiC4S4N2O12
_chemical_formula_sum "Ni1 C4 S4 N2 O12"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.76870820999999
... | data_image0
_chemical_formula_structural NiC2OCS4N2O7CO4
_chemical_formula_sum "Ni1 C4 O12 S4 N2"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.76870820999... |
SwapAtomsAction | 1f399909-0fac-44a3-872e-c2b1f79b5851 | mp-1212287 | Swap the spatial positions of atoms at indices 5 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho6B14Mo2
_chemical_formula_sum "Ho6 B14 Mo2"
_cell_length_a 8.14948756
_cell_length_b 8.14948756
_cell_length_c 9.454235
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.46716801999997
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho5B4HoB10Mo2
_chemical_formula_sum "Ho6 B14 Mo2"
_cell_length_a 8.14948756
_cell_length_b 8.14948756
_cell_length_c 9.454235
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.46716801999997
_space_group_name_H-M_a... |
SwapAtomsAction | b62dc1f2-2bcb-4124-9d24-9c9d04e95adf | mp-764994 | Swap the spatial positions of atoms at indices 23 and 53 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6V6P16O58
_chemical_formula_sum "Li6 V6 P16 O58"
_cell_length_a 9.732393
_cell_length_b 9.765990269999998
_cell_length_c 14.37332939
_cell_angle_alpha 90.70755737
_cell_angle_beta 89.68670657
_cell_angle_gamma 119.85956181
_space... | data_image0
_chemical_formula_structural Li6V6P11OP4O25PO32
_chemical_formula_sum "Li6 V6 P16 O58"
_cell_length_a 9.732393
_cell_length_b 9.765990269999998
_cell_length_c 14.37332939
_cell_angle_alpha 90.70755737
_cell_angle_beta 89.68670657
_cell_angle_gamma 119.85956181
... |
SwapAtomsAction | 567447a0-0c05-4fcf-9c56-5223d6ea7a5c | mp-1227202 | Swap the spatial positions of atoms at indices 22 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaAl4Si8O24
_chemical_formula_sum "Ca1 Al4 Si8 O24"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.8090608
_... | data_image0
_chemical_formula_structural CaAlOAl2Si8O9AlO14
_chemical_formula_sum "Ca1 Al4 O24 Si8"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.809... |
SwapAtomsAction | 3240c263-728c-4d94-a0f3-2d0a33c13117 | mp-1100889 | Swap the spatial positions of atoms at indices 21 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y6B6O14
_chemical_formula_sum "Y6 B6 O14"
_cell_length_a 4.02373971
_cell_length_b 4.02373915
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Y6B3OB2O9BO4
_chemical_formula_sum "Y6 B6 O14"
_cell_length_a 4.02373971
_cell_length_b 4.02373915
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_alt... |
SwapAtomsAction | a6fbae80-0a1e-4620-9009-bc0231ab9637 | mp-680133 | Swap the spatial positions of atoms at indices 21 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd17I34
_chemical_formula_sum "Cd17 I34"
_cell_length_a 4.33968349
_cell_length_b 4.33968349
_cell_length_c 125.10129
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999222999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd14ICd2I4CdI29
_chemical_formula_sum "Cd17 I34"
_cell_length_a 4.33968349
_cell_length_b 4.33968349
_cell_length_c 125.10129
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999222999999
_space_group_name_H-M_a... |
SwapAtomsAction | 4a4a584d-9a2c-4737-a3b6-1f8be549ea60 | mp-769928 | Swap the spatial positions of atoms at indices 4 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... | data_image0
_chemical_formula_structural Li4OV3O4NbO3
_chemical_formula_sum "Li4 O8 V3 Nb1"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523... |
SwapAtomsAction | 372ffbda-2a65-4aa8-a0de-bbe6bcb1c763 | mp-1520816 | Swap the spatial positions of atoms at indices 4 and 28 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Eu4Zr8O24
_chemical_formula_sum "Ba4 Eu4 Zr8 O24"
_cell_length_a 8.44182873
_cell_length_b 8.44182873
_cell_length_c 8.44429465
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ba4OEu3Zr8O12EuO11
_chemical_formula_sum "Ba4 O24 Eu4 Zr8"
_cell_length_a 8.44182873
_cell_length_b 8.44182873
_cell_length_c 8.44429465
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 2500f1ab-a41e-402d-833b-4af29dca153d | mp-760314 | Swap the spatial positions of atoms at indices 18 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V6O5F19
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_gro... | data_image0
_chemical_formula_structural FV5O5F7VF11
_chemical_formula_sum "F19 V6 O5"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space... |
SwapAtomsAction | 2d31ff4d-3c8e-4270-ba08-a0ccad100bcd | mp-1192907 | Swap the spatial positions of atoms at indices 8 and 18 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 Cr6P2OPO8PO7
_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_... |
SwapAtomsAction | 12167d6d-21c2-4ff3-95e6-82e786539eae | mp-753993 | Swap the spatial positions of atoms at indices 24 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb4V4O20
_chemical_formula_sum "Nb4 V4 O20"
_cell_length_a 5.5994912
_cell_length_b 7.03718861
_cell_length_c 11.99087588
_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 Nb4V2OVO16VO3
_chemical_formula_sum "Nb4 V4 O20"
_cell_length_a 5.5994912
_cell_length_b 7.03718861
_cell_length_c 11.99087588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | 560837c4-8e8d-45d8-a015-788a262167c5 | mp-1386638 | 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 Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na2PNa2Cu3PNaP2O16
_chemical_formula_sum "Na5 P4 Cu3 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
... |
SwapAtomsAction | 5d7a3b2f-e357-46c5-a272-7b1777105bce | mp-705636 | Swap the spatial positions of atoms at indices 47 and 25 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Mn20O40
_chemical_formula_sum "Li6 Mn20 O40"
_cell_length_a 5.89207024
_cell_length_b 5.858170179999999
_cell_length_c 29.77496903
_cell_angle_alpha 60.53641309999999
_cell_angle_beta 60.084772949999994
_cell_angle_gamma 60.19014... | data_image0
_chemical_formula_structural Li6Mn19O22MnO18
_chemical_formula_sum "Li6 Mn20 O40"
_cell_length_a 5.89207024
_cell_length_b 5.858170179999999
_cell_length_c 29.77496903
_cell_angle_alpha 60.53641309999999
_cell_angle_beta 60.084772949999994
_cell_angle_gamma 60.... |
SwapAtomsAction | 88f62901-9dbc-4299-b453-12020c69e4f1 | mp-1197433 | Swap the spatial positions of atoms at indices 23 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm10Co38
_chemical_formula_sum "Sm10 Co38"
_cell_length_a 4.990224
_cell_length_b 4.990223349999999
_cell_length_c 31.911024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000432999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural SmCoSm8Co13SmCo24
_chemical_formula_sum "Sm10 Co38"
_cell_length_a 4.990224
_cell_length_b 4.990223349999999
_cell_length_c 31.911024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000432999998
_space_group_na... |
SwapAtomsAction | c901387e-743d-4efa-b571-f690697341b1 | mp-1209821 | Swap the spatial positions of atoms at indices 12 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Np4Ge4O8
_chemical_formula_sum "Np4 Ge4 O8"
_cell_length_a 7.38406569
_cell_length_b 7.38406569
_cell_length_c 7.38406569
_cell_angle_alpha 125.96226568
_cell_angle_beta 125.96226568
_cell_angle_gamma 79.95016797
_space_group_name_... | data_image0
_chemical_formula_structural Np4OGe3O4GeO3
_chemical_formula_sum "Np4 O8 Ge4"
_cell_length_a 7.38406569
_cell_length_b 7.38406569
_cell_length_c 7.38406569
_cell_angle_alpha 125.96226568
_cell_angle_beta 125.96226568
_cell_angle_gamma 79.95016797
_space_group_... |
SwapAtomsAction | 7fd6a8d2-c318-40d4-a165-7f8751b42e7e | mp-766138 | Swap the spatial positions of atoms at indices 1 and 31 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Fe4P4O20
_chemical_formula_sum "Li6 Fe4 P4 O20"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiOLi4Fe4P4O17LiO2
_chemical_formula_sum "Li6 O20 Fe4 P4"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_nam... |
SwapAtomsAction | 1bfa2b53-c2c3-4f57-a3cc-91ec7ef24281 | mp-1194470 | Swap the spatial positions of atoms at indices 24 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hf6Al16Pt7
_chemical_formula_sum "Hf6 Al16 Pt7"
_cell_length_a 8.69292695
_cell_length_b 8.69292713
_cell_length_c 8.6929265
_cell_angle_alpha 60.00003086
_cell_angle_beta 60.00002578
_cell_angle_gamma 60.00003065
_space_group_name... | data_image0
_chemical_formula_structural Hf6Al7PtAl8Pt2AlPt4
_chemical_formula_sum "Hf6 Al16 Pt7"
_cell_length_a 8.69292695
_cell_length_b 8.69292713
_cell_length_c 8.6929265
_cell_angle_alpha 60.00003086
_cell_angle_beta 60.00002578
_cell_angle_gamma 60.00003065
_space_g... |
SwapAtomsAction | ffa25f62-7d9d-4a26-ac9d-deb9ac0266ca | mp-2526683 | 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 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 W2OW4O17WO3
_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 | 4b724e14-2961-4735-890d-3c5a19c5d0a3 | mp-1176443 | Swap the spatial positions of atoms at indices 2 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4Fe4B4O16
_chemical_formula_sum "Mn4 Fe4 B4 O16"
_cell_length_a 3.206634
_cell_length_b 9.582481
_cell_length_c 9.674115
_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 Mn2OMnFe4B4O7MnO8
_chemical_formula_sum "Mn4 O16 Fe4 B4"
_cell_length_a 3.206634
_cell_length_b 9.582481
_cell_length_c 9.674115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | cba161eb-ee50-480b-9768-01c9b6e86272 | mp-504554 | Swap the spatial positions of atoms at indices 16 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba5Ta4O15
_chemical_formula_sum "Ba5 Ta4 O15"
_cell_length_a 5.81978595
_cell_length_b 5.81978595
_cell_length_c 11.884633370000001
_cell_angle_alpha 90.00003437
_cell_angle_beta 89.999961
_cell_angle_gamma 119.99998843
_space_grou... | data_image0
_chemical_formula_structural Ba5Ta2OTaO7TaO7
_chemical_formula_sum "Ba5 Ta4 O15"
_cell_length_a 5.81978595
_cell_length_b 5.81978595
_cell_length_c 11.884633370000001
_cell_angle_alpha 90.00003437
_cell_angle_beta 89.999961
_cell_angle_gamma 119.99998843
_spac... |
SwapAtomsAction | 6e208089-05f4-4e8b-99b3-79de4c99bd18 | mp-1204107 | Swap the spatial positions of atoms at indices 3 and 38 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al8Fe4Si10O36
_chemical_formula_sum "Al8 Fe4 Si10 O36"
_cell_length_a 10.03890181
_cell_length_b 10.03890181
_cell_length_c 9.408538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.72560159
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Al3OAl4Fe4Si10O16AlO19
_chemical_formula_sum "Al8 O36 Fe4 Si10"
_cell_length_a 10.03890181
_cell_length_b 10.03890181
_cell_length_c 9.408538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.72560159
_space_group_... |
SwapAtomsAction | 02cf3ead-37c7-4952-b547-488fe8a708c1 | mp-1019708 | Swap the spatial positions of atoms at indices 24 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O28
_chemical_formula_sum "Cs4 Ba4 Li4 P8 O28"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Cs4Ba4Li4P4OP3O4PO23
_chemical_formula_sum "Cs4 Ba4 Li4 P8 O28"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SwapAtomsAction | d57736e8-1e8d-4d0a-bf04-dc0900493009 | mp-1033689 | Swap the spatial positions of atoms at indices 0 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural RbMg6BO7
_chemical_formula_sum "Rb1 Mg6 B1 O7"
_cell_length_a 4.038395
_cell_length_b 4.038395
_cell_length_c 12.807
_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 OMg6BO2RbO4
_chemical_formula_sum "O7 Mg6 B1 Rb1"
_cell_length_a 4.038395
_cell_length_b 4.038395
_cell_length_c 12.807
_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... |
SwapAtomsAction | f193e9f4-2c82-41c4-b1fc-15ead2f336c8 | mp-1224552 | Swap the spatial positions of atoms at indices 4 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho4NiSn8
_chemical_formula_sum "Ho4 Ni1 Sn8"
_cell_length_a 4.390995
_cell_length_b 4.397435
_cell_length_c 16.888049
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Ho4Sn5NiSn3
_chemical_formula_sum "Ho4 Sn8 Ni1"
_cell_length_a 4.390995
_cell_length_b 4.397435
_cell_length_c 16.888049
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
SwapAtomsAction | 77eaa5b8-ae3b-4189-adfd-e75331ab5572 | mp-34195 | Swap the spatial positions of atoms at indices 9 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2C2O6
_chemical_formula_sum "Ba2 C2 O6"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba2CO6C
_chemical_formula_sum "Ba2 C2 O6"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
SwapAtomsAction | ab61f991-5727-4b74-b28d-a9a5d7aea70a | mp-761916 | Swap the spatial positions of atoms at indices 46 and 37 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4H16Au4Br16O8
_chemical_formula_sum "Na4 H16 Au4 Br16 O8"
_cell_length_a 7.60692
_cell_length_b 9.490718
_cell_length_c 13.416992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4H16Au4Br13OBr2O6BrO
_chemical_formula_sum "Na4 H16 Au4 Br16 O8"
_cell_length_a 7.60692
_cell_length_b 9.490718
_cell_length_c 13.416992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | b6b00c0d-ef18-4bf2-8a7a-abac115c497e | mp-1359845 | Swap the spatial positions of atoms at indices 32 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Cu4P8O28
_chemical_formula_sum "Ca2 Cu4 P8 O28"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_group_n... | data_image0
_chemical_formula_structural Ca2Cu2OCuP8O18CuO9
_chemical_formula_sum "Ca2 Cu4 O28 P8"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_... |
SwapAtomsAction | 8cdf57aa-bca8-4fc1-b368-8a89fde01fc5 | mp-1202862 | Swap the spatial positions of atoms at indices 21 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co4S12N12O8
_chemical_formula_sum "Co4 S12 N12 O8"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Co4S8NS3N5SN6O8
_chemical_formula_sum "Co4 S12 N12 O8"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 1e69dcd2-9d8f-4284-8609-32b52d08ba97 | mp-2715503 | Swap the spatial positions of atoms at indices 12 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na2ScNa10Sc3Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
... |
SwapAtomsAction | ec9e64fc-0e4a-4ca6-aaee-b14d9ad492a4 | mp-1100683 | Swap the spatial positions of atoms at indices 8 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 7.7159323
_cell_length_b 7.7159322999999995
_cell_length_c 5.83132204
_cell_angle_alpha 68.16691333
_cell_angle_beta 68.16691333
_cell_angle_gamma 96.14700931
_spa... | data_image0
_chemical_formula_structural Li8MnLiMnCo5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 7.7159323
_cell_length_b 7.7159322999999995
_cell_length_c 5.83132204
_cell_angle_alpha 68.16691333
_cell_angle_beta 68.16691333
_cell_angle_gamma 96.14700931
_... |
SwapAtomsAction | 6c3e1931-02d8-461b-9192-69d730305620 | mp-559738 | Swap the spatial positions of atoms at indices 15 and 39 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... | data_image0
_chemical_formula_structural Sb8S7ClN8Cl15SCl24
_chemical_formula_sum "Sb8 S8 Cl40 N8"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.6556672200... |
SwapAtomsAction | eacfdeca-8a40-433b-8934-0d348f846427 | mp-754011 | Swap the spatial positions of atoms at indices 4 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Bi6O12
_chemical_formula_sum "Li2 Bi6 O12"
_cell_length_a 6.72808738
_cell_length_b 6.728087380000001
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.14724735999998
_cell_angle_gamma 93.14... | data_image0
_chemical_formula_structural Li2Bi2OBi3O10BiO
_chemical_formula_sum "Li2 Bi6 O12"
_cell_length_a 6.72808738
_cell_length_b 6.728087380000001
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.14724735999998
_cell_angle_gamma ... |
SwapAtomsAction | df83a81d-819e-4a32-a447-55d0136c792e | mp-555534 | Swap the spatial positions of atoms at indices 1 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Mn2Mo8O30
_chemical_formula_sum "K8 Mn2 Mo8 O30"
_cell_length_a 10.5685905
_cell_length_b 10.5685905
_cell_length_c 8.35687
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000312999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural KMoK6Mn2Mo2KMo5O30
_chemical_formula_sum "K8 Mo8 Mn2 O30"
_cell_length_a 10.5685905
_cell_length_b 10.5685905
_cell_length_c 8.35687
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000312999998
_space_group_nam... |
SwapAtomsAction | e35a3f26-15a2-4515-9e5d-5a12fe7f1902 | mp-1228731 | Swap the spatial positions of atoms at indices 28 and 5 in the cif file. The indices of atoms are started from 0. | 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 Ba2Li3OLa2Mo8O12LaO19
_chemical_formula_sum "Ba2 Li3 O32 La3 Mo8"
_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 68.1137... |
SwapAtomsAction | b6f052f3-293e-4905-b54e-1c54e0461fb4 | mp-1405776 | 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 La2VZnO6
_chemical_formula_sum "La2 V1 Zn1 O6"
_cell_length_a 5.53529803
_cell_length_b 5.53529803
_cell_length_c 5.53529736
_cell_angle_alpha 61.57173501999999
_cell_angle_beta 61.57173501999999
_cell_angle_gamma 61.571734660000004... | data_image0
_chemical_formula_structural La2OZnO5V
_chemical_formula_sum "La2 O6 Zn1 V1"
_cell_length_a 5.53529803
_cell_length_b 5.53529803
_cell_length_c 5.53529736
_cell_angle_alpha 61.57173501999999
_cell_angle_beta 61.57173501999999
_cell_angle_gamma 61.57173466000000... |
SwapAtomsAction | 7894ba79-d91b-4bc4-86ff-b07235ade0a2 | mp-765679 | Swap the spatial positions of atoms at indices 14 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na5Ni6O12
_chemical_formula_sum "Na5 Ni6 O12"
_cell_length_a 5.90590272
_cell_length_b 6.77917068
_cell_length_c 6.824543950000001
_cell_angle_alpha 66.79941026
_cell_angle_beta 76.6802411
_cell_angle_gamma 66.93232418
_space_group... | data_image0
_chemical_formula_structural Na5Ni4ONiO3NiO8
_chemical_formula_sum "Na5 Ni6 O12"
_cell_length_a 5.90590272
_cell_length_b 6.77917068
_cell_length_c 6.824543950000001
_cell_angle_alpha 66.79941026
_cell_angle_beta 76.6802411
_cell_angle_gamma 66.93232418
_space... |
SwapAtomsAction | 647ad667-8411-4537-b3f0-4a94502e00ec | mp-753408 | Swap the spatial positions of atoms at indices 9 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Li2Co2O4
_chemical_formula_sum "K2 Li2 Co2 O4"
_cell_length_a 5.71086211
_cell_length_b 5.71086211
_cell_length_c 8.36646467
_cell_angle_alpha 60.928591699999984
_cell_angle_beta 60.928591699999984
_cell_angle_gamma 34.51888808
_... | data_image0
_chemical_formula_structural K2Li2CoO4Co
_chemical_formula_sum "K2 Li2 Co2 O4"
_cell_length_a 5.71086211
_cell_length_b 5.71086211
_cell_length_c 8.36646467
_cell_angle_alpha 60.928591699999984
_cell_angle_beta 60.928591699999984
_cell_angle_gamma 34.51888808
... |
SwapAtomsAction | d70a33e1-64d9-4b34-826a-39481aa0ffc9 | mp-771174 | Swap the spatial positions of atoms at indices 1 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8B8O20
_chemical_formula_sum "Ba8 B8 O20"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural BaBBa6B4BaB3O20
_chemical_formula_sum "Ba8 B8 O20"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | cdca7be9-6106-40aa-bc56-b1e46fbdd11c | mp-8877 | Swap the spatial positions of atoms at indices 3 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Al6SO12
_chemical_formula_sum "Sr4 Al6 S1 O12"
_cell_length_a 8.09501311
_cell_length_b 8.09501311
_cell_length_c 8.09501311
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Sr3OAl6SO2SrO9
_chemical_formula_sum "Sr4 O12 Al6 S1"
_cell_length_a 8.09501311
_cell_length_b 8.09501311
_cell_length_c 8.09501311
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_... |
SwapAtomsAction | 60e938d7-9065-4f14-b0f0-2e737cdbff6c | mp-26157 | Swap the spatial positions of atoms at indices 23 and 35 in the cif file. The indices of atoms are started from 0. | 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 Li4Sb4P15O12PO36
_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... |
SwapAtomsAction | 53cca71a-c40b-4a1e-b9da-082a42d93b70 | mp-11321 | Swap the spatial positions of atoms at indices 6 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y6Ta2O14
_chemical_formula_sum "Y6 Ta2 O14"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Y6OTaO8TaO5
_chemical_formula_sum "Y6 O14 Ta2"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H-M_a... |
SwapAtomsAction | a20223aa-0363-4ecb-a271-c14134df264c | mp-1026795 | Swap the spatial positions of atoms at indices 15 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiMg14W
_chemical_formula_sum "Li1 Mg14 W1"
_cell_length_a 6.29929991
_cell_length_b 6.299299410000001
_cell_length_c 9.95323684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural LiMg8WMg6
_chemical_formula_sum "Li1 Mg14 W1"
_cell_length_a 6.29929991
_cell_length_b 6.299299410000001
_cell_length_c 9.95323684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_al... |
SwapAtomsAction | 1046eed3-8d8f-4c4d-899b-4ddd1905c5ba | mp-1522139 | Swap the spatial positions of atoms at indices 8 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2HfZrO6
_chemical_formula_sum "Ca2 Hf1 Zr1 O6"
_cell_length_a 5.84477636
_cell_length_b 5.844776360000001
_cell_length_c 5.844776360000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Ca2OZrO4HfO
_chemical_formula_sum "Ca2 O6 Zr1 Hf1"
_cell_length_a 5.84477636
_cell_length_b 5.844776360000001
_cell_length_c 5.844776360000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma ... |
SwapAtomsAction | 389fd5ff-7f90-4aaf-ad66-9c2eb4df3190 | mp-13456 | Swap the spatial positions of atoms at indices 0 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn5S5
_chemical_formula_sum "Zn5 S5"
_cell_length_a 15.72505019
_cell_length_b 15.725050190000001
_cell_length_c 15.72504922
_cell_angle_alpha 13.908401220000002
_cell_angle_beta 13.908401220000002
_cell_angle_gamma 13.9084016399999... | data_image0
_chemical_formula_structural SZn4S3ZnS
_chemical_formula_sum "S5 Zn5"
_cell_length_a 15.72505019
_cell_length_b 15.725050190000001
_cell_length_c 15.72504922
_cell_angle_alpha 13.908401220000002
_cell_angle_beta 13.908401220000002
_cell_angle_gamma 13.908401639... |
SwapAtomsAction | 61749543-23c9-496f-ad43-f04048675309 | mp-1519755 | Swap the spatial positions of atoms at indices 3 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrSmEuVO6
_chemical_formula_sum "Sr1 Sm1 Eu1 V1 O6"
_cell_length_a 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 5.848314359999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural SrSmEuO3VO3
_chemical_formula_sum "Sr1 Sm1 Eu1 O6 V1"
_cell_length_a 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 5.848314359999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamm... |
SwapAtomsAction | a62a03f8-367e-4375-8e76-c10238c7c0a4 | mp-1234210 | 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 MgP4Br12O4
_chemical_formula_sum "Mg1 P4 Br12 O4"
_cell_length_a 6.36628657
_cell_length_b 11.02611279
_cell_length_c 11.38689833
_cell_angle_alpha 89.53519106
_cell_angle_beta 90.22452353
_cell_angle_gamma 98.58385999000001
_space... | data_image0
_chemical_formula_structural MgP3BrPBr11O4
_chemical_formula_sum "Mg1 P4 Br12 O4"
_cell_length_a 6.36628657
_cell_length_b 11.02611279
_cell_length_c 11.38689833
_cell_angle_alpha 89.53519106
_cell_angle_beta 90.22452353
_cell_angle_gamma 98.58385999000001
_sp... |
SwapAtomsAction | 8d7b98b1-392d-4c45-b983-b5f1f36a5887 | mp-1208324 | Swap the spatial positions of atoms at indices 6 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti8Al12
_chemical_formula_sum "Ti8 Al12"
_cell_length_a 6.118791
_cell_length_b 6.118791
_cell_length_c 10.29645148
_cell_angle_alpha 107.28537181
_cell_angle_beta 107.28537181
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ti6AlTiAl10TiAl
_chemical_formula_sum "Ti8 Al12"
_cell_length_a 6.118791
_cell_length_b 6.118791
_cell_length_c 10.29645148
_cell_angle_alpha 107.28537181
_cell_angle_beta 107.28537181
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SwapAtomsAction | 0baa70be-e65a-4cca-91e7-c7136183d50a | mp-759254 | Swap the spatial positions of atoms at indices 58 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... | data_image0
_chemical_formula_structural Li2Bi5OBi2P14O34BiO13
_chemical_formula_sum "Li2 Bi8 O48 P14"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104... |
SwapAtomsAction | 5cd628f7-8cad-4e48-87fd-dbd6dcf0e071 | mp-1209288 | Swap the spatial positions of atoms at indices 8 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr4Te4As4
_chemical_formula_sum "Pr4 Te4 As4"
_cell_length_a 4.16353513
_cell_length_b 7.82507677
_cell_length_c 10.30957707
_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 Pr3AsTe4PrAs3
_chemical_formula_sum "Pr4 As4 Te4"
_cell_length_a 4.16353513
_cell_length_b 7.82507677
_cell_length_c 10.30957707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | 409237fc-84e6-4c4c-b6d3-4ca9d6b781e0 | mp-1110828 | Swap the spatial positions of atoms at indices 0 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... | data_image0
_chemical_formula_structural FKNaTaF2KF3
_chemical_formula_sum "F6 K2 Na1 Ta1"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319... |
SwapAtomsAction | 0b4c921d-175c-450f-b54e-7b3b6c5a89b9 | mp-20547 | 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 Ca4Fe8O16
_chemical_formula_sum "Ca4 Fe8 O16"
_cell_length_a 3.02567488
_cell_length_b 9.24346216
_cell_length_c 10.72256921
_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 CaOCa2Fe8O9CaO6
_chemical_formula_sum "Ca4 O16 Fe8"
_cell_length_a 3.02567488
_cell_length_b 9.24346216
_cell_length_c 10.72256921
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | a5c56c20-6085-40ee-b4db-4b0838726174 | mp-1197546 | Swap the spatial positions of atoms at indices 9 and 20 in the cif file. The indices of atoms are started from 0. | 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 Ca4Cu4AsOAs2O8AsO11
_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... |
SwapAtomsAction | c52e0fad-df74-42bb-b774-c3bcf5ba6fc1 | mp-1214189 | Swap the spatial positions of atoms at indices 16 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be6Si6C8S2O24
_chemical_formula_sum "Be6 Si6 C8 S2 O24"
_cell_length_a 8.021437
_cell_length_b 8.021437
_cell_length_c 8.021437
_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 Be6Si6C4OC3S2O5CO18
_chemical_formula_sum "Be6 Si6 C8 O24 S2"
_cell_length_a 8.021437
_cell_length_b 8.021437
_cell_length_c 8.021437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 44ae4ed3-cdc1-4b77-a476-f866c940932d | mp-1113048 | Swap the spatial positions of atoms at indices 6 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2RbAlF6
_chemical_formula_sum "Cs2 Rb1 Al1 F6"
_cell_length_a 5.98039244
_cell_length_b 5.98039226
_cell_length_c 5.98039226
_cell_angle_alpha 60.00000076999999
_cell_angle_beta 60.000001140000016
_cell_angle_gamma 60.00000117
_s... | data_image0
_chemical_formula_structural CsFRbAlF2CsF3
_chemical_formula_sum "Cs2 F6 Rb1 Al1"
_cell_length_a 5.98039244
_cell_length_b 5.98039226
_cell_length_c 5.98039226
_cell_angle_alpha 60.00000076999999
_cell_angle_beta 60.000001140000016
_cell_angle_gamma 60.00000117... |
SwapAtomsAction | 52aca5f8-159a-4304-8da0-cf5330701e08 | mp-760927 | 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 Na4Ti4P4O20
_chemical_formula_sum "Na4 Ti4 P4 O20"
_cell_length_a 6.547784
_cell_length_b 7.496283
_cell_length_c 7.817011
_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 Na2ONaTi4P4O3NaO16
_chemical_formula_sum "Na4 O20 Ti4 P4"
_cell_length_a 6.547784
_cell_length_b 7.496283
_cell_length_c 7.817011
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 8b15b04a-cb16-48f0-9855-89e2fa0058d1 | mp-1539446 | Swap the spatial positions of atoms at indices 5 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Pt2Cl8
_chemical_formula_sum "Cs4 Pt2 Cl8"
_cell_length_a 7.44671597
_cell_length_b 7.4467158
_cell_length_c 9.47830816
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.98841345999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4PtCl7PtCl
_chemical_formula_sum "Cs4 Pt2 Cl8"
_cell_length_a 7.44671597
_cell_length_b 7.4467158
_cell_length_c 9.47830816
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.98841345999999
_space_group_name_H-M_al... |
SwapAtomsAction | 91c6829a-f6ab-435b-9156-62ddf277848b | mp-580962 | 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 Rb2C4I6N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_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 IRbC4I5RbN4
_chemical_formula_sum "I6 Rb2 C4 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
SwapAtomsAction | dcdfbe3e-d0ae-4a19-8b3f-f1d643d7299d | mp-1207936 | Swap the spatial positions of atoms at indices 16 and 33 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4B4P8N4O36
_chemical_formula_sum "V4 B4 P8 N4 O36"
_cell_length_a 8.412787
_cell_length_b 9.477069
_cell_length_c 9.56597293
_cell_angle_alpha 75.74640795
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural V4B4P8ON3O13NO22
_chemical_formula_sum "V4 B4 P8 O36 N4"
_cell_length_a 8.412787
_cell_length_b 9.477069
_cell_length_c 9.56597293
_cell_angle_alpha 75.74640795
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | 2950c5cc-7e3d-4041-acea-691ce37d427d | mp-1112206 | Swap the spatial positions of atoms at indices 1 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2GaHgI6
_chemical_formula_sum "K2 Ga1 Hg1 I6"
_cell_length_a 8.40003965
_cell_length_b 8.40003965
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural KGaKHgI6
_chemical_formula_sum "K2 Ga1 Hg1 I6"
_cell_length_a 8.40003965
_cell_length_b 8.40003965
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
SwapAtomsAction | 3d4a6cc3-6bcd-41e6-af45-4ef93d83f1d7 | mp-763659 | Swap the spatial positions of atoms at indices 11 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3V2Fe2O8
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_spac... | data_image0
_chemical_formula_structural Li3VOFe2O4VO3
_chemical_formula_sum "Li3 V2 O8 Fe2"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_s... |
SwapAtomsAction | b9bddcb9-46f9-4283-ba11-0082529e5b55 | mp-1033833 | Swap the spatial positions of atoms at indices 1 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... | data_image0
_chemical_formula_structural CsMg4RbMg2O7
_chemical_formula_sum "Cs1 Mg6 Rb1 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group... |
SwapAtomsAction | 4ce11238-457e-471e-8f96-b7e4784261bb | mp-1238696 | Swap the spatial positions of atoms at indices 14 and 90 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe4H40S8N16O32
_chemical_formula_sum "Fe4 H40 S8 N16 O32"
_cell_length_a 8.51289682
_cell_length_b 11.98523831
_cell_length_c 9.362529659999998
_cell_angle_alpha 89.0593966
_cell_angle_beta 102.58209187
_cell_angle_gamma 92.48701985... | data_image0
_chemical_formula_structural Fe4H10OH29S8N16O22HO9
_chemical_formula_sum "Fe4 H40 O32 S8 N16"
_cell_length_a 8.51289682
_cell_length_b 11.98523831
_cell_length_c 9.362529659999998
_cell_angle_alpha 89.0593966
_cell_angle_beta 102.58209187
_cell_angle_gamma 92.4... |
SwapAtomsAction | f2625d2d-bb54-4946-b653-caf661719fcf | mp-1098369 | Swap the spatial positions of atoms at indices 47 and 31 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_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 Mg30TiO16CrO16
_chemical_formula_sum "Mg30 Ti1 O32 Cr1"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 1bc453d6-c588-438b-bd65-4282ca2b8feb | mp-1212504 | Swap the spatial positions of atoms at indices 50 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd8P12H20W4O36
_chemical_formula_sum "Nd8 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Nd3ONd4P12H20W4O6NdO29
_chemical_formula_sum "Nd8 O36 P12 H20 W4"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SwapAtomsAction | 9dbce2eb-453c-4b32-b5b5-72d2da1d7332 | mp-755878 | 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 Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 5.54772546
_cell_length_b 5.83613003
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cu2FCu3OF7CuF3
_chemical_formula_sum "Cu6 F11 O1"
_cell_length_a 5.54772546
_cell_length_b 5.83613003
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group_n... |
SwapAtomsAction | e617663a-550e-4d51-a1f5-21bc1cba809a | mp-1044845 | Swap the spatial positions of atoms at indices 33 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba6Al3Fe6F33
_chemical_formula_sum "Ba6 Al3 Fe6 F33"
_cell_length_a 7.44947064
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_space_group_name_H... | data_image0
_chemical_formula_structural Ba6Al3Fe5F19FeF14
_chemical_formula_sum "Ba6 Al3 Fe6 F33"
_cell_length_a 7.44947064
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_space_group_n... |
SwapAtomsAction | 13bfb0d7-6c8e-42c5-9103-71a3e79047f4 | mp-1221954 | Swap the spatial positions of atoms at indices 8 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTi2ZnO6
_chemical_formula_sum "Mg1 Ti2 Zn1 O6"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787... | data_image0
_chemical_formula_structural MgTi2O5ZnO
_chemical_formula_sum "Mg1 Ti2 O6 Zn1"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.9878... |
SwapAtomsAction | f767bcc1-140d-4f2c-9367-a283fda5bbee | mp-2231016 | 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 MgFe6O7F5
_chemical_formula_sum "Mg1 Fe6 O7 F5"
_cell_length_a 5.23093221
_cell_length_b 5.189853770000001
_cell_length_c 8.8565157
_cell_angle_alpha 86.86399567999999
_cell_angle_beta 92.12704567999998
_cell_angle_gamma 102.3567853... | data_image0
_chemical_formula_structural MgFe6O3FO4F4
_chemical_formula_sum "Mg1 Fe6 O7 F5"
_cell_length_a 5.23093221
_cell_length_b 5.189853770000001
_cell_length_c 8.8565157
_cell_angle_alpha 86.86399567999999
_cell_angle_beta 92.12704567999998
_cell_angle_gamma 102.3567... |
SwapAtomsAction | ccc70461-5ea2-458f-ad1a-f8077c54dd08 | mp-1105260 | Swap the spatial positions of atoms at indices 19 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... | data_image0
_chemical_formula_structural Tb8In2Ge2RhGe5RhGe
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367... |
SwapAtomsAction | 12a3f62d-6bfd-4e74-af47-de809308b33b | mp-1173893 | Swap the spatial positions of atoms at indices 12 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 2.920526
_cell_length_b 6.60737649
_cell_length_c 7.89451648
_cell_angle_alpha 88.82980695
_cell_angle_beta 100.65433203
_cell_angle_gamma 77.23435797
_space_group_n... | data_image0
_chemical_formula_structural Li4MnOCo2O4MnO3
_chemical_formula_sum "Li4 Mn2 O8 Co2"
_cell_length_a 2.920526
_cell_length_b 6.60737649
_cell_length_c 7.89451648
_cell_angle_alpha 88.82980695
_cell_angle_beta 100.65433203
_cell_angle_gamma 77.23435797
_space_gro... |
SwapAtomsAction | 06cf33f4-c593-4bad-819e-c0d444da78c1 | mp-9563 | Swap the spatial positions of atoms at indices 5 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Sb6
_chemical_formula_sum "Li12 Sb6"
_cell_length_a 7.95140499
_cell_length_b 7.9514049899999995
_cell_length_c 6.568351
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000822000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li5SbLi7Sb5
_chemical_formula_sum "Li12 Sb6"
_cell_length_a 7.95140499
_cell_length_b 7.9514049899999995
_cell_length_c 6.568351
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000822000001
_space_group_name_H-... |
SwapAtomsAction | fb8d7d06-e97c-4c0d-a0a6-1ae49142c33a | mp-707732 | Swap the spatial positions of atoms at indices 17 and 28 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4ZnP6H12O24
_chemical_formula_sum "Na4 Zn1 P6 H12 O24"
_cell_length_a 7.356004
_cell_length_b 9.31164289
_cell_length_c 9.54838386
_cell_angle_alpha 65.6011162
_cell_angle_beta 74.88099345
_cell_angle_gamma 71.92320563999999
_spa... | data_image0
_chemical_formula_structural Na4ZnP6H6OH5O5HO18
_chemical_formula_sum "Na4 Zn1 P6 H12 O24"
_cell_length_a 7.356004
_cell_length_b 9.31164289
_cell_length_c 9.54838386
_cell_angle_alpha 65.6011162
_cell_angle_beta 74.88099345
_cell_angle_gamma 71.92320563999999
... |
SwapAtomsAction | 04fba121-9130-4cc3-acb6-17f9b7142851 | mp-1403373 | Swap the spatial positions of atoms at indices 1 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2ZnSbO6
_chemical_formula_sum "La2 Zn1 Sb1 O6"
_cell_length_a 5.77686642
_cell_length_b 5.77686642
_cell_length_c 5.776866339999999
_cell_angle_alpha 61.07135203000001
_cell_angle_beta 61.07135203000001
_cell_angle_gamma 61.071350... | data_image0
_chemical_formula_structural LaOZnSbO4LaO
_chemical_formula_sum "La2 O6 Zn1 Sb1"
_cell_length_a 5.77686642
_cell_length_b 5.77686642
_cell_length_c 5.776866339999999
_cell_angle_alpha 61.07135203000001
_cell_angle_beta 61.07135203000001
_cell_angle_gamma 61.071... |
SwapAtomsAction | 85360613-54f3-4fc3-80eb-0e49426b1bc9 | mp-1517143 | Swap the spatial positions of atoms at indices 7 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Nd2Eu2Sb2O12
_chemical_formula_sum "Ca2 Nd2 Eu2 Sb2 O12"
_cell_length_a 5.80313197
_cell_length_b 5.97664008
_cell_length_c 8.35689443
_cell_angle_alpha 89.58348116000002
_cell_angle_beta 90.56943828000001
_cell_angle_gamma 89.91... | data_image0
_chemical_formula_structural Ca2Nd2Eu2SbO4SbO8
_chemical_formula_sum "Ca2 Nd2 Eu2 Sb2 O12"
_cell_length_a 5.80313197
_cell_length_b 5.97664008
_cell_length_c 8.35689443
_cell_angle_alpha 89.58348116000002
_cell_angle_beta 90.56943828000001
_cell_angle_gamma 89.... |
SwapAtomsAction | d316c88e-b04b-4877-af80-52d88ce929b3 | mp-752925 | Swap the spatial positions of atoms at indices 6 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Fe2Si2O8
_chemical_formula_sum "Li2 Fe2 Si2 O8"
_cell_length_a 4.539481
_cell_length_b 8.599942
_cell_length_c 4.539481999999999
_cell_angle_alpha 90.00000666000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.00000666000001
_spac... | data_image0
_chemical_formula_structural Li2Fe2OSi2O7
_chemical_formula_sum "Li2 Fe2 O8 Si2"
_cell_length_a 4.539481
_cell_length_b 8.599942
_cell_length_c 4.539481999999999
_cell_angle_alpha 90.00000666000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.00000666000001
_spa... |
SwapAtomsAction | d5bd4759-f1a6-4af0-86f1-9025d0590e3b | mp-27013 | Swap the spatial positions of atoms at indices 74 and 15 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 Li15OLi2V6P16O34LiO23
_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_gr... |
SwapAtomsAction | 0f2da0b4-7bba-4518-8e90-f36349aa798d | mp-504385 | Swap the spatial positions of atoms at indices 22 and 68 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe8P2OP9O36PO11
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SwapAtomsAction | 185427b4-4a5b-42e9-b8c3-a1227eb73694 | mp-1212483 | Swap the spatial positions of atoms at indices 39 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16POP2H4N4O11PO16
_chemical_formula_sum "Hg16 P4 O28 H4 N4"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name... |
SwapAtomsAction | 55d140a3-0494-4cab-bf54-8176d72f7ebd | mp-613 | 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 Te4Pd6
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Te2PdTePd5Te
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt... |
SwapAtomsAction | 0f31692a-a6b9-4ad5-8738-5b663cca289c | mp-2217356 | 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 Ba2YMgBiO6
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99561646... | data_image0
_chemical_formula_structural Ba2YMgO6Bi
_chemical_formula_sum "Ba2 Y1 Mg1 O6 Bi1"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99561646... |
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