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 | 8fe2ade7-af86-4c32-9229-e9acee1b1146 | mp-1221196 | 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 Na4EuSi2Te6
_chemical_formula_sum "Na4 Eu1 Si2 Te6"
_cell_length_a 7.72061593
_cell_length_b 7.72061593
_cell_length_c 8.51669282
_cell_angle_alpha 81.26596297
_cell_angle_beta 81.26596297
_cell_angle_gamma 119.89827411
_space_grou... | data_image0
_chemical_formula_structural TeNa3EuSi2Te4NaTe
_chemical_formula_sum "Te6 Na4 Eu1 Si2"
_cell_length_a 7.72061593
_cell_length_b 7.72061593
_cell_length_c 8.51669282
_cell_angle_alpha 81.26596297
_cell_angle_beta 81.26596297
_cell_angle_gamma 119.89827411
_spac... |
SwapAtomsAction | e9dd308b-9509-4792-a29f-75b02b543fe7 | mp-1032871 | 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 HfMg6AlO8
_chemical_formula_sum "Hf1 Mg6 Al1 O8"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_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 HfOMg5AlO6MgO
_chemical_formula_sum "Hf1 O8 Mg6 Al1"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | a8ec49ec-e847-4bae-bcf7-17d289af223b | mp-1225071 | Swap the spatial positions of atoms at indices 7 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural ErAl6Cu6
_chemical_formula_sum "Er1 Al6 Cu6"
_cell_length_a 4.97331248
_cell_length_b 6.563630650000001
_cell_length_c 6.5636306499999995
_cell_angle_alpha 99.08310517
_cell_angle_beta 112.26270552
_cell_angle_gamma 67.73729448
_sp... | data_image0
_chemical_formula_structural ErAl4CuAl2Cu5
_chemical_formula_sum "Er1 Al6 Cu6"
_cell_length_a 4.97331248
_cell_length_b 6.563630650000001
_cell_length_c 6.5636306499999995
_cell_angle_alpha 99.08310517
_cell_angle_beta 112.26270552
_cell_angle_gamma 67.73729448... |
SwapAtomsAction | e1af33ac-e59a-4282-a320-57e26337401e | mp-1644899 | Swap the spatial positions of atoms at indices 0 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural OLi5V4C8O3LiO20
_chemical_formula_sum "O24 Li6 V4 C8"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_gr... |
SwapAtomsAction | 9200100b-4532-4836-8b9f-e176a0b71683 | mp-1023480 | 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 Mg12Al2Ni2
_chemical_formula_sum "Mg12 Al2 Ni2"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 10.46779
_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 Mg5AlMg7AlNi2
_chemical_formula_sum "Mg12 Al2 Ni2"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 10.46779
_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 | 62f1af12-abec-4e60-bd9b-f6abdbba595a | mp-778508 | Swap the spatial positions of atoms at indices 15 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Mn4V4P12O48
_chemical_formula_sum "Li12 Mn4 V4 P12 O48"
_cell_length_a 9.831781
_cell_length_b 9.87281945
_cell_length_c 9.92081065
_cell_angle_alpha 85.77918818999999
_cell_angle_beta 87.70494136999999
_cell_angle_gamma 87.5770... | data_image0
_chemical_formula_structural Li12Mn3PV4P6MnP5O48
_chemical_formula_sum "Li12 Mn4 P12 V4 O48"
_cell_length_a 9.831781
_cell_length_b 9.87281945
_cell_length_c 9.92081065
_cell_angle_alpha 85.77918818999999
_cell_angle_beta 87.70494136999999
_cell_angle_gamma 87.... |
SwapAtomsAction | 436dc98e-6665-4e4e-9c7d-780a87c3a862 | mp-779444 | Swap the spatial positions of atoms at indices 9 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn2Fe2B4O12
_chemical_formula_sum "Li4 Mn2 Fe2 B4 O12"
_cell_length_a 5.23969178
_cell_length_b 8.20273029
_cell_length_c 5.99169676
_cell_angle_alpha 77.13265952
_cell_angle_beta 89.0143268
_cell_angle_gamma 90.75553767
_space_... | data_image0
_chemical_formula_structural Li4Mn2Fe2BOB2O5BO6
_chemical_formula_sum "Li4 Mn2 Fe2 B4 O12"
_cell_length_a 5.23969178
_cell_length_b 8.20273029
_cell_length_c 5.99169676
_cell_angle_alpha 77.13265952
_cell_angle_beta 89.0143268
_cell_angle_gamma 90.75553767
_sp... |
SwapAtomsAction | 87d30b79-9de0-490a-820d-541b3128827c | mp-777904 | Swap the spatial positions of atoms at indices 0 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Ti6Cr2O16
_chemical_formula_sum "Li4 Ti6 Cr2 O16"
_cell_length_a 5.89554411
_cell_length_b 5.8955441099999994
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000123
_space_group_name_... | data_image0
_chemical_formula_structural OLi3Ti6Cr2O9LiO6
_chemical_formula_sum "O16 Li4 Ti6 Cr2"
_cell_length_a 5.89554411
_cell_length_b 5.8955441099999994
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000123
_space_group_n... |
SwapAtomsAction | 3695a3b3-d725-4269-a7a6-b2d6c0945679 | mp-1020592 | Swap the spatial positions of atoms at indices 8 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr8Li4Si8N16O2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_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 Sr8NLi3Si8LiN15O2
_chemical_formula_sum "Sr8 N16 Li4 Si8 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 79497087-da55-4527-88ff-c48c29271154 | mp-1386638 | Swap the spatial positions of atoms at indices 5 and 0 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 CuNa5Cu2P4O16
_chemical_formula_sum "Cu3 Na5 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
_spac... |
SwapAtomsAction | 4362e5c8-a9c6-44a5-a13b-da987a005f45 | mp-19489 | Swap the spatial positions of atoms at indices 22 and 57 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B14OB5O29BO10
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SwapAtomsAction | c461de44-b95f-4319-bb59-fc031e6900d2 | mp-6955 | 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 K4Ge4N4O4
_chemical_formula_sum "K4 Ge4 N4 O4"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_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 GeK3Ge3KN4O4
_chemical_formula_sum "Ge4 K4 N4 O4"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_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 | 5c71f19c-7abf-486f-9280-318354ac2218 | mp-770361 | 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 Li4V8B4O20
_chemical_formula_sum "Li4 V8 B4 O20"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 12.401503
_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 OLi3V8B4O17LiO2
_chemical_formula_sum "O20 Li4 V8 B4"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 12.401503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | 5dc7a921-135d-40b4-8c7c-9ee04a5a6fe7 | mp-7998 | Swap the spatial positions of atoms at indices 4 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Ge4O10
_chemical_formula_sum "Li4 Ge4 O10"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4OGe3O3GeO6
_chemical_formula_sum "Li4 O10 Ge4"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt ... |
SwapAtomsAction | 1e9c48b6-cf22-4550-a067-846baf3af046 | mp-1190131 | Swap the spatial positions of atoms at indices 4 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4Sc4S12
_chemical_formula_sum "La4 Sc4 S12"
_cell_length_a 6.58114518
_cell_length_b 7.21722551
_cell_length_c 9.64897414
_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 La4SSc4S11
_chemical_formula_sum "La4 S12 Sc4"
_cell_length_a 6.58114518
_cell_length_b 7.21722551
_cell_length_c 9.64897414
_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 | 4882ecc6-8bab-4059-bff3-5660cdca684e | mp-1105068 | Swap the spatial positions of atoms at indices 9 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYOFe3O3FeO3
_chemical_formula_sum "Ba1 Y1 O7 Fe4"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_sp... |
SwapAtomsAction | 32c53326-4d5e-4ba2-b3d4-423f09b1e74a | mp-774789 | 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 Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74.97335... | data_image0
_chemical_formula_structural Li3SbLi4Ti4Co6LiSb5O32
_chemical_formula_sum "Li8 Sb6 Ti4 Co6 O32"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 7... |
SwapAtomsAction | 4a033498-4529-4f87-8699-6a65d165b8c9 | mp-23013 | Swap the spatial positions of atoms at indices 12 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 U4Cl6OCl2O7
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 | 635b4dd3-2909-4a56-9a76-c7bc6df5da8d | mp-1220955 | 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 NaSr2Fe6As6
_chemical_formula_sum "Na1 Sr2 Fe6 As6"
_cell_length_a 5.51590271
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural NaSr2AsFe5As4FeAs
_chemical_formula_sum "Na1 Sr2 As6 Fe6"
_cell_length_a 5.51590271
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_space_group... |
SwapAtomsAction | 5201618e-cbdb-49fa-8001-bfe9871c5682 | mp-1110736 | 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 Rb3AlBr6
_chemical_formula_sum "Rb3 Al1 Br6"
_cell_length_a 8.15533404
_cell_length_b 8.15533404
_cell_length_c 8.15533404
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Rb3Br3AlBr3
_chemical_formula_sum "Rb3 Br6 Al1"
_cell_length_a 8.15533404
_cell_length_b 8.15533404
_cell_length_c 8.15533404
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
SwapAtomsAction | dfd2021e-bb82-43a2-9695-a2fb16d3d3ac | mp-1360929 | Swap the spatial positions of atoms at indices 5 and 28 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg3Cr6Fe4O24
_chemical_formula_sum "Mg3 Cr6 Fe4 O24"
_cell_length_a 6.69328991
_cell_length_b 8.15055763
_cell_length_c 9.82946339
_cell_angle_alpha 104.80703253
_cell_angle_beta 105.89604363
_cell_angle_gamma 102.07778496
_space_g... | data_image0
_chemical_formula_structural Mg3Cr2OCr3Fe4O15CrO8
_chemical_formula_sum "Mg3 Cr6 O24 Fe4"
_cell_length_a 6.69328991
_cell_length_b 8.15055763
_cell_length_c 9.82946339
_cell_angle_alpha 104.80703253
_cell_angle_beta 105.89604363
_cell_angle_gamma 102.07778496
... |
SwapAtomsAction | 02be089b-7e18-46b5-9321-f504135b9853 | mp-770481 | 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 Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... | data_image0
_chemical_formula_structural Ta7OTaPO20TaO4
_chemical_formula_sum "Ta9 O25 P1"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_gro... |
SwapAtomsAction | 305075a2-5113-43d5-b63a-ecb7a82889a6 | mp-1193081 | 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 Cs12Cr4O14
_chemical_formula_sum "Cs12 Cr4 O14"
_cell_length_a 7.2455194
_cell_length_b 9.81900027
_cell_length_c 9.892262060000002
_cell_angle_alpha 89.99825766
_cell_angle_beta 90.89857344999999
_cell_angle_gamma 90.00020682000002... | data_image0
_chemical_formula_structural Cs2CrCs9CrCsCr2O14
_chemical_formula_sum "Cs12 Cr4 O14"
_cell_length_a 7.2455194
_cell_length_b 9.81900027
_cell_length_c 9.892262060000002
_cell_angle_alpha 89.99825766
_cell_angle_beta 90.89857344999999
_cell_angle_gamma 90.000206... |
SwapAtomsAction | 8bdced25-d65a-4b36-bd2b-432b37cd648d | mp-13514 | 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 Nd4B4O12
_chemical_formula_sum "Nd4 B4 O12"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
_space... | data_image0
_chemical_formula_structural ONd3B4ONdO10
_chemical_formula_sum "O12 Nd4 B4"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
_s... |
SwapAtomsAction | b011f9fd-78f9-4098-8e79-0326b4898b64 | mp-17256 | Swap the spatial positions of atoms at indices 21 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Hf6O2F24
_chemical_formula_sum "Rb4 Hf6 O2 F24"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.33193677000000... | data_image0
_chemical_formula_structural Rb2FRbHf6O2F9RbF14
_chemical_formula_sum "Rb4 F24 Hf6 O2"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.3319367... |
SwapAtomsAction | d1ae8b14-33dd-49db-bef9-1778a5446e5c | mp-1221954 | Swap the spatial positions of atoms at indices 9 and 2 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 MgTiOZnO5Ti
_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 54.987... |
SwapAtomsAction | fc96881f-3844-468a-a982-469dfa90013b | mp-1181584 | Swap the spatial positions of atoms at indices 1 and 30 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H16C4N16O8
_chemical_formula_sum "H16 C4 N16 O8"
_cell_length_a 15.64905994
_cell_length_b 12.69497605
_cell_length_c 9.453627849999998
_cell_angle_alpha 88.65347747000001
_cell_angle_beta 54.19426781999998
_cell_angle_gamma 37.1522... | data_image0
_chemical_formula_structural HNH14C4N10HN5O8
_chemical_formula_sum "H16 N16 C4 O8"
_cell_length_a 15.64905994
_cell_length_b 12.69497605
_cell_length_c 9.453627849999998
_cell_angle_alpha 88.65347747000001
_cell_angle_beta 54.19426781999998
_cell_angle_gamma 37... |
SwapAtomsAction | a1083866-56e2-4f70-9721-d587b16342d1 | mp-1193732 | Swap the spatial positions of atoms at indices 23 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12
_chemical_formula_sum "Te4 Pd2 Pb4 Cl4 O12"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te4OPdPb4Cl4O9PdO2
_chemical_formula_sum "Te4 O12 Pd2 Pb4 Cl4"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SwapAtomsAction | e96c50eb-d17d-4829-a0ea-722dccff35e5 | mp-29829 | Swap the spatial positions of atoms at indices 4 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Au4S4
_chemical_formula_sum "Li4 Au4 S4"
_cell_length_a 6.36289158
_cell_length_b 6.36289199
_cell_length_c 7.21163204
_cell_angle_alpha 116.47822777999998
_cell_angle_beta 116.47822393999999
_cell_angle_gamma 89.38917855000001
... | data_image0
_chemical_formula_structural Li3AuLiAu3S4
_chemical_formula_sum "Li4 Au4 S4"
_cell_length_a 6.36289158
_cell_length_b 6.36289199
_cell_length_c 7.21163204
_cell_angle_alpha 116.47822777999998
_cell_angle_beta 116.47822393999999
_cell_angle_gamma 89.389178550000... |
SwapAtomsAction | 253ccadd-237d-4b85-ba9d-ca641c6e80d1 | mp-1031226 | Swap the spatial positions of atoms at indices 7 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural RbMg6O3TiO5
_chemical_formula_sum "Rb1 Mg6 O8 Ti1"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | 66cfdf73-1079-4314-840f-b30c9a6897c8 | mp-29226 | Swap the spatial positions of atoms at indices 5 and 46 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca9Ga12O27
_chemical_formula_sum "Ca9 Ga12 O27"
_cell_length_a 11.05868684
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.92564392000001
_space_group_na... | data_image0
_chemical_formula_structural Ca5OCa3Ga12O25CaO
_chemical_formula_sum "Ca9 O27 Ga12"
_cell_length_a 11.05868684
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.92564392000001
_space_g... |
SwapAtomsAction | 4cab4fd8-2441-4a7f-b8e0-ca77c2385814 | mp-531661 | 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 Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd4TiNd5Ti2NdTi9O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
... |
SwapAtomsAction | 6655edc2-6ec7-4314-81c4-170404346b5c | mp-27330 | Swap the spatial positions of atoms at indices 3 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La3Os2O10
_chemical_formula_sum "La3 Os2 O10"
_cell_length_a 5.62184173
_cell_length_b 5.62184182
_cell_length_c 6.940714679999999
_cell_angle_alpha 107.87126291
_cell_angle_beta 107.8712631
_cell_angle_gamma 90.60547313999999
_spa... | data_image0
_chemical_formula_structural La3OOsO3OsO6
_chemical_formula_sum "La3 O10 Os2"
_cell_length_a 5.62184173
_cell_length_b 5.62184182
_cell_length_c 6.940714679999999
_cell_angle_alpha 107.87126291
_cell_angle_beta 107.8712631
_cell_angle_gamma 90.60547313999999
_... |
SwapAtomsAction | 6122dfce-ef38-473f-8b22-1ab4f8841828 | mp-685992 | Swap the spatial positions of atoms at indices 27 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Cr4Cl16
_chemical_formula_sum "Li8 Cr4 Cl16"
_cell_length_a 7.228764
_cell_length_b 7.42284197
_cell_length_c 12.83742393
_cell_angle_alpha 78.00485524
_cell_angle_beta 74.78317196
_cell_angle_gamma 62.50011299999999
_space_grou... | data_image0
_chemical_formula_structural Li5ClLi2Cr4Cl15Li
_chemical_formula_sum "Li8 Cl16 Cr4"
_cell_length_a 7.228764
_cell_length_b 7.42284197
_cell_length_c 12.83742393
_cell_angle_alpha 78.00485524
_cell_angle_beta 74.78317196
_cell_angle_gamma 62.50011299999999
_spa... |
SwapAtomsAction | f3684c31-7a2f-4198-b62d-605b95c42891 | mp-1198379 | Swap the spatial positions of atoms at indices 0 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U8Cl8O40
_chemical_formula_sum "U8 Cl8 O40"
_cell_length_a 5.916021
_cell_length_b 11.02909539
_cell_length_c 19.22433123
_cell_angle_alpha 103.30643445999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural OU7Cl8O11UO28
_chemical_formula_sum "O40 U8 Cl8"
_cell_length_a 5.916021
_cell_length_b 11.02909539
_cell_length_c 19.22433123
_cell_angle_alpha 103.30643445999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SwapAtomsAction | ad2eaa29-fa7d-4ab0-ad8f-b4fb877eeaca | mp-779456 | Swap the spatial positions of atoms at indices 29 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y8Re4O20
_chemical_formula_sum "Y8 Re4 O20"
_cell_length_a 8.49838607
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_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 YOY6Re4O17YO2
_chemical_formula_sum "Y8 O20 Re4"
_cell_length_a 8.49838607
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_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 | 8f8765e1-b691-46bc-891b-58fc051f8f0e | mp-29057 | Swap the spatial positions of atoms at indices 3 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb3SBr7
_chemical_formula_sum "Nb3 S1 Br7"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb3Br5SBr2
_chemical_formula_sum "Nb3 Br7 S1"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_alt... |
SwapAtomsAction | f19c9b21-e066-4532-9805-6be8bb1fc06d | mp-2503 | 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 Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pd12SePdSe5PdSe2
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_... |
SwapAtomsAction | e81b3c71-21e5-4d8d-9650-687a1877c26a | mp-1343823 | Swap the spatial positions of atoms at indices 19 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Ta2Sb2O12
_chemical_formula_sum "Ca4 Ta2 Sb2 O12"
_cell_length_a 8.036065
_cell_length_b 5.719254
_cell_length_c 5.9235469
_cell_angle_alpha 89.03685924
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural CaOCa2Ta2Sb2O11Ca
_chemical_formula_sum "Ca4 O12 Ta2 Sb2"
_cell_length_a 8.036065
_cell_length_b 5.719254
_cell_length_c 5.9235469
_cell_angle_alpha 89.03685924
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | 7bcb642b-bcc8-42f7-9620-57298b19c9bb | mp-1191448 | Swap the spatial positions of atoms at indices 2 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co2I4O16
_chemical_formula_sum "Co2 I4 O16"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_name_H-... | data_image0
_chemical_formula_structural Co2OI3O12IO3
_chemical_formula_sum "Co2 O16 I4"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_nam... |
SwapAtomsAction | 7f1a2c68-0c4e-46fc-bc3e-5ebee057a163 | mp-1225420 | Swap the spatial positions of atoms at indices 1 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe3W4N8
_chemical_formula_sum "Fe3 W4 N8"
_cell_length_a 10.79563324
_cell_length_b 10.79563324
_cell_length_c 4.999819900000001
_cell_angle_alpha 78.12233291
_cell_angle_beta 78.12233291
_cell_angle_gamma 15.285989940000006
_space... | data_image0
_chemical_formula_structural FeNFeW4N4FeN3
_chemical_formula_sum "Fe3 N8 W4"
_cell_length_a 10.79563324
_cell_length_b 10.79563324
_cell_length_c 4.999819900000001
_cell_angle_alpha 78.12233291
_cell_angle_beta 78.12233291
_cell_angle_gamma 15.285989940000006
... |
SwapAtomsAction | 6690cfcd-f3a3-40dd-848c-e027f1eb6b24 | mp-1044670 | 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 Zn2Ag4O8
_chemical_formula_sum "Zn2 Ag4 O8"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_space_g... | data_image0
_chemical_formula_structural Zn2Ag3O4AgO4
_chemical_formula_sum "Zn2 Ag4 O8"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_spa... |
SwapAtomsAction | 7132ae72-b986-4e67-9095-f9dbf6f03ba7 | mp-1110571 | Swap the spatial positions of atoms at indices 2 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural Na2FCrF4NaF
_chemical_formula_sum "Na3 F6 Cr1"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_n... |
SwapAtomsAction | 2e79b7e7-a8d6-4223-afae-4de6271757c7 | mp-558102 | Swap the spatial positions of atoms at indices 13 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K2Li2SiOSi2O5SiO4
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | c940c441-f5e2-4251-9a32-8695faad90bd | mp-1219949 | 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 Pr2AlFe16
_chemical_formula_sum "Pr2 Al1 Fe16"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75117239... | data_image0
_chemical_formula_structural Pr2FeAlFe15
_chemical_formula_sum "Pr2 Fe16 Al1"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.751172... |
SwapAtomsAction | e8b1c4b1-39be-4767-b6c5-b243153cb73d | mp-1201394 | Swap the spatial positions of atoms at indices 50 and 32 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Zn4H32N16
_chemical_formula_sum "K8 Zn4 H32 N16"
_cell_length_a 7.330377
_cell_length_b 7.71889881
_cell_length_c 13.45082991
_cell_angle_alpha 106.05557938
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K8Zn4H20NH11N6HN9
_chemical_formula_sum "K8 Zn4 H32 N16"
_cell_length_a 7.330377
_cell_length_b 7.71889881
_cell_length_c 13.45082991
_cell_angle_alpha 106.05557938
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SwapAtomsAction | b7557462-d86f-4e72-aec0-2f442863d35e | mp-18953 | 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 Na2V2O4F4
_chemical_formula_sum "Na2 V2 O4 F4"
_cell_length_a 3.575516
_cell_length_b 6.56286279
_cell_length_c 7.32158901
_cell_angle_alpha 110.04631364
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na2FVO4FVF2
_chemical_formula_sum "Na2 F4 V2 O4"
_cell_length_a 3.575516
_cell_length_b 6.56286279
_cell_length_c 7.32158901
_cell_angle_alpha 110.04631364
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 2dfa7ca4-5029-4a95-8baf-57a857aea886 | mp-580525 | Swap the spatial positions of atoms at indices 41 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_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 Dy4SnDy7Ni12Sn17DySn6
_chemical_formula_sum "Dy12 Sn24 Ni12"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | a60fb3b1-098c-45d0-874b-9ddd8281d872 | mp-1105973 | Swap the spatial positions of atoms at indices 5 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc4Ag4Se8
_chemical_formula_sum "Sc4 Ag4 Se8"
_cell_length_a 3.99573998
_cell_length_b 6.78147425
_cell_length_c 13.21755954
_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 Sc4AgSeAg2Se5AgSe2
_chemical_formula_sum "Sc4 Ag4 Se8"
_cell_length_a 3.99573998
_cell_length_b 6.78147425
_cell_length_c 13.21755954
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 19297720-dd46-424d-94db-3623508e2afb | mp-1228192 | Swap the spatial positions of atoms at indices 16 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al8Si4Mo6
_chemical_formula_sum "Al8 Si4 Mo6"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 13.45947417
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gamma 119.30885929
_space_gro... | data_image0
_chemical_formula_structural Al2MoAl5Si4Mo4AlMo
_chemical_formula_sum "Al8 Mo6 Si4"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 13.45947417
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gamma 119.30885929
_... |
SwapAtomsAction | 3ae8f3a1-0e39-4288-86f9-75eeb04e499a | mp-774885 | Swap the spatial positions of atoms at indices 31 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V3CrCo2P6O24
_chemical_formula_sum "V3 Cr1 Co2 P6 O24"
_cell_length_a 8.50726384
_cell_length_b 8.50726384
_cell_length_c 8.50726429
_cell_angle_alpha 60.766009279999984
_cell_angle_beta 60.766009279999984
_cell_angle_gamma 60.76600... | data_image0
_chemical_formula_structural V3OCo2P6O19CrO4
_chemical_formula_sum "V3 O24 Co2 P6 Cr1"
_cell_length_a 8.50726384
_cell_length_b 8.50726384
_cell_length_c 8.50726429
_cell_angle_alpha 60.766009279999984
_cell_angle_beta 60.766009279999984
_cell_angle_gamma 60.76... |
SwapAtomsAction | df448e75-a503-446d-aa6b-bd1b565b399a | mp-787524 | Swap the spatial positions of atoms at indices 27 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Fe2W6O24
_chemical_formula_sum "Li8 Fe2 W6 O24"
_cell_length_a 5.11933652
_cell_length_b 10.195318270000001
_cell_length_c 10.09545099
_cell_angle_alpha 60.32184485
_cell_angle_beta 90.65949022
_cell_angle_gamma 90.32099601
_spa... | data_image0
_chemical_formula_structural Li7OFe2W6O11LiO12
_chemical_formula_sum "Li8 O24 Fe2 W6"
_cell_length_a 5.11933652
_cell_length_b 10.195318270000001
_cell_length_c 10.09545099
_cell_angle_alpha 60.32184485
_cell_angle_beta 90.65949022
_cell_angle_gamma 90.32099601... |
SwapAtomsAction | 3849a6ef-2f63-4275-a33a-552103869e97 | mp-2217353 | 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 Ba2MgBi2O6
_chemical_formula_sum "Ba2 Mg1 Bi2 O6"
_cell_length_a 6.19601964
_cell_length_b 6.19601946
_cell_length_c 7.51072299
_cell_angle_alpha 64.56155273
_cell_angle_beta 64.56155424
_cell_angle_gamma 61.34173851
_space_group_n... | data_image0
_chemical_formula_structural OBaMgBi2O5Ba
_chemical_formula_sum "O6 Ba2 Mg1 Bi2"
_cell_length_a 6.19601964
_cell_length_b 6.19601946
_cell_length_c 7.51072299
_cell_angle_alpha 64.56155273
_cell_angle_beta 64.56155424
_cell_angle_gamma 61.34173851
_space_group... |
SwapAtomsAction | 7b50a7c9-bbae-4eab-92df-eac723741fb4 | mp-1234726 | 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 MgFe8O8F8
_chemical_formula_sum "Mg1 Fe8 O8 F8"
_cell_length_a 5.37459148
_cell_length_b 5.317915359999999
_cell_length_c 11.582483039999998
_cell_angle_alpha 89.02297118
_cell_angle_beta 87.61815172
_cell_angle_gamma 93.09989270999... | data_image0
_chemical_formula_structural MgFe8FO7F4OF3
_chemical_formula_sum "Mg1 Fe8 F8 O8"
_cell_length_a 5.37459148
_cell_length_b 5.317915359999999
_cell_length_c 11.582483039999998
_cell_angle_alpha 89.02297118
_cell_angle_beta 87.61815172
_cell_angle_gamma 93.0998927... |
SwapAtomsAction | 2c9e7630-5c8c-49bd-a98f-73275a25e6ee | mp-18051 | Swap the spatial positions of atoms at indices 7 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La8Ti4O20
_chemical_formula_sum "La8 Ti4 O20"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_group_nam... | data_image0
_chemical_formula_structural La7OTi4O15LaO4
_chemical_formula_sum "La8 O20 Ti4"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_grou... |
SwapAtomsAction | f4901537-d363-48cb-946d-63ac410b1cfb | mp-1020027 | Swap the spatial positions of atoms at indices 46 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li16P8O28
_chemical_formula_sum "Li16 P8 O28"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li4OLi11P8O22LiO5
_chemical_formula_sum "Li16 O28 P8"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | b007817f-8778-4734-bf69-3611f297fc7f | mp-1214552 | Swap the spatial positions of atoms at indices 30 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8Cu6Si40
_chemical_formula_sum "Ba8 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... | data_image0
_chemical_formula_structural SiBa7Cu6Si16BaSi23
_chemical_formula_sum "Si40 Ba8 Cu6"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.999982720... |
SwapAtomsAction | c1cdb12a-0cf2-40a1-9331-55033657449c | mp-1191101 | 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 K4Mg4B4O12
_chemical_formula_sum "K4 Mg4 B4 O12"
_cell_length_a 6.908451
_cell_length_b 6.908451
_cell_length_c 6.908451
_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 K4Mg4BOB2O9BO2
_chemical_formula_sum "K4 Mg4 B4 O12"
_cell_length_a 6.908451
_cell_length_b 6.908451
_cell_length_c 6.908451
_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 | d56e546e-cf86-41df-947e-26f6a0372b22 | mp-1210838 | Swap the spatial positions of atoms at indices 20 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2P2H12N2O10
_chemical_formula_sum "Mg2 P2 H12 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_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 Mg2P2H8OH3N2O2HO7
_chemical_formula_sum "Mg2 P2 H12 O10 N2"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 91db744d-d39f-42c1-b8d9-6658e6d0d2b6 | mp-1079648 | Swap the spatial positions of atoms at indices 7 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 RhUGe4RhURh2
_chemical_formula_sum "Rh4 U2 Ge4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 | 1c61cbe4-ce91-42d3-a268-965bf94fc242 | mp-1238837 | Swap the spatial positions of atoms at indices 10 and 34 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... | data_image0
_chemical_formula_structural B10HB13H10BH13
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_gr... |
SwapAtomsAction | 58f3078c-e9ba-4f30-a68d-1852db4cfb0d | mp-1205925 | 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 Sm4In2Au4
_chemical_formula_sum "Sm4 In2 Au4"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_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 SmAuSm2In2SmAu3
_chemical_formula_sum "Sm4 Au4 In2"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | aaabc2c6-832a-4b41-bad6-f0b9786aca94 | mp-1110571 | 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 Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3F6Cr
_chemical_formula_sum "Na3 F6 Cr1"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... |
SwapAtomsAction | aabc147c-1059-4d36-84bf-1bcafb2beb22 | mp-1202750 | Swap the spatial positions of atoms at indices 16 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Nd5P11Ru6PRu13
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H... |
SwapAtomsAction | 3aeec389-4120-4b43-82d3-1f5532f59de3 | mp-1101922 | Swap the spatial positions of atoms at indices 7 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu4Fe8
_chemical_formula_sum "Eu4 Fe8"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Eu2FeEuFe3EuFe4
_chemical_formula_sum "Eu4 Fe8"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | cd8b18c3-5004-4ca1-9f0e-c54c3a026a08 | mp-1246013 | 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 V2C3N6
_chemical_formula_sum "V2 C3 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural CVC2VN6
_chemical_formula_sum "C3 V2 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... |
SwapAtomsAction | 7bfd1d3d-d180-481f-946f-b5271f65dcc6 | mp-1180291 | Swap the spatial positions of atoms at indices 0 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MnFe2P2O18
_chemical_formula_sum "Mn1 Fe2 P2 O18"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_group_n... | data_image0
_chemical_formula_structural OFe2P2O8MnO9
_chemical_formula_sum "O18 Fe2 P2 Mn1"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_group... |
SwapAtomsAction | 23107685-6874-4cb0-b6c7-870f2ae18892 | mp-3792 | Swap the spatial positions of atoms at indices 7 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y4Al4O12
_chemical_formula_sum "Y4 Al4 O12"
_cell_length_a 5.17603105
_cell_length_b 5.31735851
_cell_length_c 7.37249317
_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 Y4Al3OAlO11
_chemical_formula_sum "Y4 Al4 O12"
_cell_length_a 5.17603105
_cell_length_b 5.31735851
_cell_length_c 7.37249317
_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 | cacad37d-e230-4fee-922e-c6350a5d5a09 | mp-607917 | Swap the spatial positions of atoms at indices 18 and 34 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural La18SnLa2Fe8Sn5LaSnC12
_chemical_formula_sum "La21 Sn7 Fe8 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_... |
SwapAtomsAction | 83daaa76-6b88-44c2-87ee-2b30bbf2aa3e | mp-2228789 | Swap the spatial positions of atoms at indices 13 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 6.93682881
_cell_length_b 15.10297566
_cell_length_c 3.10243694
_cell_angle_alpha 90.08972542
_cell_angle_beta 90.08295703
_cell_angle_gamma 135.01619084
_space_group_n... | data_image0
_chemical_formula_structural MgFFe5O6FeF5
_chemical_formula_sum "Mg1 F6 Fe6 O6"
_cell_length_a 6.93682881
_cell_length_b 15.10297566
_cell_length_c 3.10243694
_cell_angle_alpha 90.08972542
_cell_angle_beta 90.08295703
_cell_angle_gamma 135.01619084
_space_grou... |
SwapAtomsAction | fbda4791-f996-43cb-8086-9ece7a690ff6 | mp-2232136 | 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 K2RbTbMgV2O8
_chemical_formula_sum "K2 Rb1 Tb1 Mg1 V2 O8"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 8.38343734
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_gamma 119.88352324999998
_space_gr... | data_image0
_chemical_formula_structural K2RbTbOV2O2MgO5
_chemical_formula_sum "K2 Rb1 Tb1 O8 V2 Mg1"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 8.38343734
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_gamma 119.88352324999998
_space... |
SwapAtomsAction | 999d4063-7961-4878-9e86-9acf51937133 | mp-804134 | Swap the spatial positions of atoms at indices 5 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5Ni3Sb2O10
_chemical_formula_sum "Li5 Ni3 Sb2 O10"
_cell_length_a 5.23986
_cell_length_b 5.36264358
_cell_length_c 7.922721919999999
_cell_angle_alpha 106.90686584
_cell_angle_beta 102.75707066000001
_cell_angle_gamma 101.80098846... | data_image0
_chemical_formula_structural Li5ONi2Sb2O4NiO5
_chemical_formula_sum "Li5 O10 Ni3 Sb2"
_cell_length_a 5.23986
_cell_length_b 5.36264358
_cell_length_c 7.922721919999999
_cell_angle_alpha 106.90686584
_cell_angle_beta 102.75707066000001
_cell_angle_gamma 101.8009... |
SwapAtomsAction | ebd2ba75-8b42-48ac-b7ea-f1cabaa42c10 | mp-1233214 | Swap the spatial positions of atoms at indices 9 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Y2MgFe4O10
_chemical_formula_sum "Ba2 Y2 Mg1 Fe4 O10"
_cell_length_a 3.868654
_cell_length_b 8.214905
_cell_length_c 8.698939
_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 Ba2Y2MgFe3OFeO9
_chemical_formula_sum "Ba2 Y2 Mg1 Fe4 O10"
_cell_length_a 3.868654
_cell_length_b 8.214905
_cell_length_c 8.698939
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 45eb0b05-8ed2-45ab-8d87-c4259bddc898 | mp-850933 | Swap the spatial positions of atoms at indices 14 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.3298373
_cell_length_b 7.3298373
_cell_length_c 6.441564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.54122322
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Fe3OFe4O6FeO7F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.3298373
_cell_length_b 7.3298373
_cell_length_c 6.441564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.54122322
_space_group_name_H-M_alt "... |
SwapAtomsAction | 3952ecee-68b4-48a2-87b4-1b00c033ecb6 | mp-776026 | Swap the spatial positions of atoms at indices 1 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Fe8F24
_chemical_formula_sum "Li8 Fe8 F24"
_cell_length_a 8.811519
_cell_length_b 8.811519
_cell_length_c 6.203392
_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 LiFLi6Fe8F11LiF12
_chemical_formula_sum "Li8 F24 Fe8"
_cell_length_a 8.811519
_cell_length_b 8.811519
_cell_length_c 6.203392
_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 | 8a77105a-4392-44e0-94f7-ecdf718f9ffc | mp-1208177 | 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 U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... | data_image0
_chemical_formula_structural U5CoU2CoU
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... |
SwapAtomsAction | 4d2b1913-160a-4ce2-9d14-3a193d131d5f | mp-1219042 | Swap the spatial positions of atoms at indices 2 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SmMn5Co7
_chemical_formula_sum "Sm1 Mn5 Co7"
_cell_length_a 6.34837552
_cell_length_b 6.34837552
_cell_length_c 6.34837552
_cell_angle_alpha 137.60390248999997
_cell_angle_beta 97.53482762
_cell_angle_gamma 97.49096846
_space_group... | data_image0
_chemical_formula_structural SmMnCoMn3Co6Mn
_chemical_formula_sum "Sm1 Mn5 Co7"
_cell_length_a 6.34837552
_cell_length_b 6.34837552
_cell_length_c 6.34837552
_cell_angle_alpha 137.60390248999997
_cell_angle_beta 97.53482762
_cell_angle_gamma 97.49096846
_space... |
SwapAtomsAction | 90a278f7-3df4-47fb-bbab-d03da9decd2a | mp-1026556 | Swap the spatial positions of atoms at indices 2 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14CrC
_chemical_formula_sum "Mg14 Cr1 C1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg2CrMg12C
_chemical_formula_sum "Mg14 Cr1 C1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M_al... |
SwapAtomsAction | 3d981c3d-79b0-4961-a28e-f6f29df4e1a7 | mp-3380 | Swap the spatial positions of atoms at indices 2 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 La2RhLaRh3LaC8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 | e42e2707-92ae-44f5-b1cc-829e073fb2ca | mp-570405 | Swap the spatial positions of atoms at indices 43 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Hg24P16Cl28
_chemical_formula_sum "Ti4 Hg24 P16 Cl28"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_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 Ti4Hg14PHg9P15HgCl28
_chemical_formula_sum "Ti4 Hg24 P16 Cl28"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | 25d7e5f0-c3e0-478c-8d7e-4617b4321667 | mp-19489 | Swap the spatial positions of atoms at indices 3 and 53 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm3OCo4B20O25SmO14
_chemical_formula_sum "Sm4 O40 Co4 B20"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SwapAtomsAction | fc44f5ad-b4a9-4285-bb76-d0959c650152 | mp-1197276 | Swap the spatial positions of atoms at indices 10 and 52 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La14I6O36
_chemical_formula_sum "La14 I6 O36"
_cell_length_a 16.40249444
_cell_length_b 16.40249444
_cell_length_c 4.250983
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural La10OLa3I6O32LaO3
_chemical_formula_sum "La14 O36 I6"
_cell_length_a 16.40249444
_cell_length_b 16.40249444
_cell_length_c 4.250983
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177999999
_space_group_name... |
SwapAtomsAction | 9e92b1b8-8011-4917-8d7f-419a68b00771 | mp-1205145 | Swap the spatial positions of atoms at indices 13 and 46 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_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 Na8Ti4SiOSi14H8O10SiO41
_chemical_formula_sum "Na8 Ti4 Si16 O52 H8"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SwapAtomsAction | 73a8e011-f995-4dad-bb6d-c03a1df01853 | mp-1177530 | Swap the spatial positions of atoms at indices 7 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437000001... | data_image0
_chemical_formula_structural NiLi3Mn2NiLiNiSn3O16
_chemical_formula_sum "Ni3 Li4 Mn2 Sn3 O16"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.499184370... |
SwapAtomsAction | 544a3a87-2fd3-4218-b669-78e217d4666e | mp-19484 | Swap the spatial positions of atoms at indices 11 and 43 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_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 Ba4Ca4V3OV4O27V
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 0baa88c7-5f4a-4fd7-85d2-5ce1a9f346ed | mp-1237178 | Swap the spatial positions of atoms at indices 0 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hf3NiF6
_chemical_formula_sum "Hf3 Ni1 F6"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
_space... | data_image0
_chemical_formula_structural FHf2NiF5Hf
_chemical_formula_sum "F6 Hf3 Ni1"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
_sp... |
SwapAtomsAction | 3ac5a98b-cc3d-4345-94fd-5a430da5fdaf | mp-11609 | 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 Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2MoSMo3S3
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 54cc5c00-8b65-4f11-989f-ba58315f6081 | mp-752908 | Swap the spatial positions of atoms at indices 0 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Ni5O10
_chemical_formula_sum "Li6 Ni5 O10"
_cell_length_a 5.173842
_cell_length_b 5.63596531
_cell_length_c 7.7451140800000005
_cell_angle_alpha 70.79099217
_cell_angle_beta 70.80090629
_cell_angle_gamma 66.90567389
_space_group... | data_image0
_chemical_formula_structural OLi5Ni5O4LiO5
_chemical_formula_sum "O10 Li6 Ni5"
_cell_length_a 5.173842
_cell_length_b 5.63596531
_cell_length_c 7.7451140800000005
_cell_angle_alpha 70.79099217
_cell_angle_beta 70.80090629
_cell_angle_gamma 66.90567389
_space_g... |
SwapAtomsAction | e45609e8-a8bd-44c9-a625-400ec075dc3d | mp-1224446 | Swap the spatial positions of atoms at indices 6 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural FeHf2TaFe2HfFe5
_chemical_formula_sum "Fe8 Hf3 Ta1"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_spac... |
SwapAtomsAction | 07db8494-557f-4b25-8d05-e734f3159230 | mp-1234927 | Swap the spatial positions of atoms at indices 8 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFe8O14F2
_chemical_formula_sum "Mg1 Fe8 O14 F2"
_cell_length_a 5.17318023
_cell_length_b 5.174828819999999
_cell_length_c 11.60459846
_cell_angle_alpha 90.64518616999999
_cell_angle_beta 89.40149404
_cell_angle_gamma 102.09013924
... | data_image0
_chemical_formula_structural MgFe7FO14FeF
_chemical_formula_sum "Mg1 Fe8 F2 O14"
_cell_length_a 5.17318023
_cell_length_b 5.174828819999999
_cell_length_c 11.60459846
_cell_angle_alpha 90.64518616999999
_cell_angle_beta 89.40149404
_cell_angle_gamma 102.0901392... |
SwapAtomsAction | 49e62161-66ce-4908-af14-b2c8eed33701 | mp-2230845 | Swap the spatial positions of atoms at indices 14 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTi2Si4O12
_chemical_formula_sum "Mg1 Ti2 Si4 O12"
_cell_length_a 6.63563542
_cell_length_b 6.63563498
_cell_length_c 5.3560216
_cell_angle_alpha 74.90893322
_cell_angle_beta 105.09106296
_cell_angle_gamma 97.10995471000001
_space... | data_image0
_chemical_formula_structural MgTi2Si2OSiO7SiO4
_chemical_formula_sum "Mg1 Ti2 Si4 O12"
_cell_length_a 6.63563542
_cell_length_b 6.63563498
_cell_length_c 5.3560216
_cell_angle_alpha 74.90893322
_cell_angle_beta 105.09106296
_cell_angle_gamma 97.10995471000001
... |
SwapAtomsAction | a088bbc1-2c41-4c92-839e-f318833de71a | mp-27741 | 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 Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te3IAu4I3Te
_chemical_formula_sum "Te4 I4 Au4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_a... |
SwapAtomsAction | 70a569e2-af93-4897-8b71-c134243fa7f0 | mp-600038 | Swap the spatial positions of atoms at indices 21 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Si6OSi3O11SiO8
_chemical_formula_sum "Si10 O20"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | 1c0c439a-c09e-4cda-8609-1459a2db795b | mp-28179 | Swap the spatial positions of atoms at indices 0 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural ClNa3Ta4Cl12NaCl11
_chemical_formula_sum "Cl24 Na4 Ta4"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SwapAtomsAction | d8c33b84-03a6-4e3c-b740-db0390e0a897 | mp-1227155 | 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 Ca4Mg4Zn4
_chemical_formula_sum "Ca4 Mg4 Zn4"
_cell_length_a 5.84729168
_cell_length_b 5.84729168
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural CaMgCa2MgCaMg2Zn4
_chemical_formula_sum "Ca4 Mg4 Zn4"
_cell_length_a 5.84729168
_cell_length_b 5.84729168
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_space_group_name_H-M_alt... |
SwapAtomsAction | d212f2ac-8529-4cda-bbce-50489549aeac | mp-1190956 | 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 K4H4C4O12
_chemical_formula_sum "K4 H4 C4 O12"
_cell_length_a 5.58946929
_cell_length_b 5.58946929
_cell_length_c 11.04977441
_cell_angle_alpha 75.80331787
_cell_angle_beta 75.80331787
_cell_angle_gamma 72.81330546
_space_group_nam... | data_image0
_chemical_formula_structural KOK2H4C4O7KO4
_chemical_formula_sum "K4 O12 H4 C4"
_cell_length_a 5.58946929
_cell_length_b 5.58946929
_cell_length_c 11.04977441
_cell_angle_alpha 75.80331787
_cell_angle_beta 75.80331787
_cell_angle_gamma 72.81330546
_space_group... |
SwapAtomsAction | 1a533809-dad9-447f-ac9b-37323e101929 | mp-1227253 | Swap the spatial positions of atoms at indices 1 and 29 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaOU2Ti8O17UO6
_chemical_formula_sum "Ca1 O24 U3 Ti8"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group... |
SwapAtomsAction | de07fd2f-7e28-4372-bac6-b7b2f0ed084a | mp-1036209 | Swap the spatial positions of atoms at indices 4 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14TiMnO16
_chemical_formula_sum "Mg14 Ti1 Mn1 O16"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mg4OMg9TiMnMgO15
_chemical_formula_sum "Mg14 O16 Ti1 Mn1"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 4ceffa2b-94a5-4ceb-93cf-d584667f9dfb | mp-1076382 | Swap the spatial positions of atoms at indices 10 and 30 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La7SmFe8O24
_chemical_formula_sum "La7 Sm1 Fe8 O24"
_cell_length_a 7.902464
_cell_length_b 7.902464
_cell_length_c 7.902464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural La7SmFe2OFe5O14FeO9
_chemical_formula_sum "La7 Sm1 Fe8 O24"
_cell_length_a 7.902464
_cell_length_b 7.902464
_cell_length_c 7.902464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 144fd13f-b26d-4026-9044-772df887f408 | mp-775903 | Swap the spatial positions of atoms at indices 13 and 38 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... | data_image0
_chemical_formula_structural Li8Mn4POP6O18PO9
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.