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 | 64c5ecec-378f-44f1-b803-5bc930f64c5c | mp-556179 | Swap the spatial positions of atoms at indices 17 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr6Si4S16Cl2
_chemical_formula_sum "Pr6 Si4 S16 Cl2"
_cell_length_a 8.8060558
_cell_length_b 8.8060558
_cell_length_c 11.051096659999999
_cell_angle_alpha 83.11777061
_cell_angle_beta 83.11777061
_cell_angle_gamma 52.13035657
_spac... | data_image0
_chemical_formula_structural Pr6Si4S7ClS8ClS
_chemical_formula_sum "Pr6 Si4 S16 Cl2"
_cell_length_a 8.8060558
_cell_length_b 8.8060558
_cell_length_c 11.051096659999999
_cell_angle_alpha 83.11777061
_cell_angle_beta 83.11777061
_cell_angle_gamma 52.13035657
_s... |
SwapAtomsAction | 3b2fab29-f257-46a3-ae19-00b830db7376 | mp-3276 | Swap the spatial positions of atoms at indices 19 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb8Cr4Si10
_chemical_formula_sum "Nb8 Cr4 Si10"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 9.38583208
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.54496795
_space_g... | data_image0
_chemical_formula_structural Nb7SiCr4Si7NbSi2
_chemical_formula_sum "Nb8 Si10 Cr4"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 9.38583208
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.54496795
_s... |
SwapAtomsAction | 880a84f0-b9e2-4273-a227-5d2f006d7b9c | mp-1194957 | Swap the spatial positions of atoms at indices 3 and 55 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hg4Te8Xe6O8F52
_chemical_formula_sum "Hg4 Te8 Xe6 O8 F52"
_cell_length_a 18.60583
_cell_length_b 9.419066
_cell_length_c 10.24656959
_cell_angle_alpha 57.63678503
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg3FTe8Xe6O8F29HgF22
_chemical_formula_sum "Hg4 F52 Te8 Xe6 O8"
_cell_length_a 18.60583
_cell_length_b 9.419066
_cell_length_c 10.24656959
_cell_angle_alpha 57.63678503
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SwapAtomsAction | f253541d-8565-4fb5-8fe9-1eb7f4291bca | mp-818536 | Swap the spatial positions of atoms at indices 25 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce2Cr4O20
_chemical_formula_sum "Ce2 Cr4 O20"
_cell_length_a 10.921874
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural CeOCr4O19Ce
_chemical_formula_sum "Ce2 O20 Cr4"
_cell_length_a 10.921874
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 2ffeb6ba-fb4b-4faf-956c-3e6be5676809 | mp-1020592 | Swap the spatial positions of atoms at indices 8 and 0 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 LiSr8Li3Si8N16O2
_chemical_formula_sum "Li4 Sr8 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... |
SwapAtomsAction | be8c5232-6d13-48b2-ac96-0d1a5945961e | mp-754378 | 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 Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 6.08297738
_cell_length_b 5.97776458
_cell_length_c 5.977791540000001
_cell_angle_alpha 90.21968224999999
_cell_angle_beta 60.204871139999995
_cell_angle_gamma 119.79534081
_... | data_image0
_chemical_formula_structural VLiV2LiV3O8
_chemical_formula_sum "V6 Li2 O8"
_cell_length_a 6.08297738
_cell_length_b 5.97776458
_cell_length_c 5.977791540000001
_cell_angle_alpha 90.21968224999999
_cell_angle_beta 60.204871139999995
_cell_angle_gamma 119.7953408... |
SwapAtomsAction | 7ec243f6-e79c-4f28-b935-8818a6a8ebef | mp-1031915 | 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 YMg6CdO8
_chemical_formula_sum "Y1 Mg6 Cd1 O8"
_cell_length_a 9.0489033
_cell_length_b 4.51849834
_cell_length_c 4.51849834
_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 YMg4CdMg2O8
_chemical_formula_sum "Y1 Mg6 Cd1 O8"
_cell_length_a 9.0489033
_cell_length_b 4.51849834
_cell_length_c 4.51849834
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | 07f94576-2cf0-4177-a44c-5b7455c3604f | mp-1518357 | Swap the spatial positions of atoms at indices 2 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu2HfNbO6
_chemical_formula_sum "Eu2 Hf1 Nb1 O6"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_space_gro... | data_image0
_chemical_formula_structural HfEu2NbO6
_chemical_formula_sum "Hf1 Eu2 Nb1 O6"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_space_gro... |
SwapAtomsAction | 4b745913-ba04-498d-a109-40504381aefc | mp-642735 | 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 Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 Rb3H5RbH3Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 | da364e80-dbfa-40b4-a0bc-5ade7bbb7451 | mp-1033791 | Swap the spatial positions of atoms at indices 3 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14CrCO16
_chemical_formula_sum "Mg14 Cr1 C1 O16"
_cell_length_a 8.49212571
_cell_length_b 8.49212571
_cell_length_c 4.29664522
_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 Mg3OMg10CrCO7MgO8
_chemical_formula_sum "Mg14 O16 Cr1 C1"
_cell_length_a 8.49212571
_cell_length_b 8.49212571
_cell_length_c 4.29664522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 134d7a4e-0ff2-4d90-8510-71fef197890c | mp-1221478 | Swap the spatial positions of atoms at indices 24 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Cd4Fe2P6O24
_chemical_formula_sum "Na4 Cd4 Fe2 P6 O24"
_cell_length_a 8.97639775
_cell_length_b 8.97639775
_cell_length_c 6.70029315
_cell_angle_alpha 72.96610006
_cell_angle_beta 72.96610006
_cell_angle_gamma 92.15005666
_space... | data_image0
_chemical_formula_structural Na4CdOCd2Fe2P6O8CdO15
_chemical_formula_sum "Na4 Cd4 O24 Fe2 P6"
_cell_length_a 8.97639775
_cell_length_b 8.97639775
_cell_length_c 6.70029315
_cell_angle_alpha 72.96610006
_cell_angle_beta 72.96610006
_cell_angle_gamma 92.15005666
... |
SwapAtomsAction | 66b447e1-4024-4302-8b3c-5a590be8ed29 | mp-1179989 | Swap the spatial positions of atoms at indices 23 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... | data_image0
_chemical_formula_structural Pd2NC7S8I4NCN14
_chemical_formula_sum "Pd2 N16 C8 S8 I4"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727... |
SwapAtomsAction | 9e0f5b06-89a8-44cb-b12f-eb8a71bdbe3e | mp-772024 | Swap the spatial positions of atoms at indices 47 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba12La4Br36
_chemical_formula_sum "Ba12 La4 Br36"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba12BrLa3Br31LaBr4
_chemical_formula_sum "Ba12 Br36 La4"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | 693ac7a2-b8d9-47db-a40a-349571c768ff | mp-756284 | Swap the spatial positions of atoms at indices 10 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... | data_image0
_chemical_formula_structural LiBLi2Co4B2LiBO12
_chemical_formula_sum "Li4 B4 Co4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
... |
SwapAtomsAction | 78d8a0d6-83f6-425f-803d-418c3fa5faad | mp-1026876 | Swap the spatial positions of atoms at indices 14 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14CdCu
_chemical_formula_sum "Mg14 Cd1 Cu1"
_cell_length_a 6.31425202
_cell_length_b 6.33200746
_cell_length_c 10.06235057
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.09306793000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Mg11CdMg3Cu
_chemical_formula_sum "Mg14 Cd1 Cu1"
_cell_length_a 6.31425202
_cell_length_b 6.33200746
_cell_length_c 10.06235057
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.09306793000002
_space_group_name_H-M... |
SwapAtomsAction | e4a1a92e-3d88-4cb8-a308-dc23a5846afb | mp-1304002 | Swap the spatial positions of atoms at indices 11 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni3ONi2Bi2O11NiO4
_chemical_formula_sum "Li8 Ni6 O16 Bi2"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.187739... |
SwapAtomsAction | 493d637a-638a-462b-a189-539e2de41c71 | mp-1518832 | Swap the spatial positions of atoms at indices 32 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Na4Pr4Nb4O24
_chemical_formula_sum "Ba4 Na4 Pr4 Nb4 O24"
_cell_length_a 8.63740882
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_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 Ba4Na4OPr3Nb4O16PrO7
_chemical_formula_sum "Ba4 Na4 O24 Pr4 Nb4"
_cell_length_a 8.63740882
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SwapAtomsAction | 1c5aefb5-865a-475e-9b0f-fc3f0a1abea5 | mp-1220988 | Swap the spatial positions of atoms at indices 1 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Tl6S4
_chemical_formula_sum "Na2 Tl6 S4"
_cell_length_a 4.293416
_cell_length_b 7.308508
_cell_length_c 12.37711
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural NaTl3NaTl3S4
_chemical_formula_sum "Na2 Tl6 S4"
_cell_length_a 4.293416
_cell_length_b 7.308508
_cell_length_c 12.37711
_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 | e1822980-c316-4c2d-9244-b1c616270a39 | mp-1028598 | Swap the spatial positions of atoms at indices 11 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te6W4Se2
_chemical_formula_sum "Te6 W4 Se2"
_cell_length_a 3.49734781
_cell_length_b 3.49734781
_cell_length_c 39.674341
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999965
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Te6WSeW2SeW
_chemical_formula_sum "Te6 W4 Se2"
_cell_length_a 3.49734781
_cell_length_b 3.49734781
_cell_length_c 39.674341
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999965
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | f15e9f17-99a8-45ae-b70c-affcecd43e16 | mp-1319322 | Swap the spatial positions of atoms at indices 7 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co6Te2O16
_chemical_formula_sum "Co6 Te2 O16"
_cell_length_a 5.90144483
_cell_length_b 6.06973568
_cell_length_c 10.66845073
_cell_angle_alpha 106.47630741
_cell_angle_beta 106.81744562
_cell_angle_gamma 59.1889205
_space_group_nam... | data_image0
_chemical_formula_structural Co6TeO6TeO10
_chemical_formula_sum "Co6 Te2 O16"
_cell_length_a 5.90144483
_cell_length_b 6.06973568
_cell_length_c 10.66845073
_cell_angle_alpha 106.47630741
_cell_angle_beta 106.81744562
_cell_angle_gamma 59.1889205
_space_group_... |
SwapAtomsAction | 59425b10-37b7-4f02-856a-87a4fbf26d1c | mp-531566 | Swap the spatial positions of atoms at indices 27 and 40 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La16Mn14O48
_chemical_formula_sum "La16 Mn14 O48"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
_space... | data_image0
_chemical_formula_structural La16Mn11OMn2O10MnO37
_chemical_formula_sum "La16 Mn14 O48"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.2667858... |
SwapAtomsAction | 505d1666-997d-4a3c-9b71-82060ef01e79 | mp-1211316 | Swap the spatial positions of atoms at indices 15 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2V4Ag2O12
_chemical_formula_sum "K2 V4 Ag2 O12"
_cell_length_a 7.44997499
_cell_length_b 7.44997499
_cell_length_c 5.90457238
_cell_angle_alpha 79.77023346
_cell_angle_beta 79.77023346
_cell_angle_gamma 85.51389708
_space_group_na... | data_image0
_chemical_formula_structural K2V3OAg2O7VO4
_chemical_formula_sum "K2 V4 O12 Ag2"
_cell_length_a 7.44997499
_cell_length_b 7.44997499
_cell_length_c 5.90457238
_cell_angle_alpha 79.77023346
_cell_angle_beta 79.77023346
_cell_angle_gamma 85.51389708
_space_group... |
SwapAtomsAction | a39aa023-1212-4931-b1bd-ec06816756d7 | mp-2229628 | Swap the spatial positions of atoms at indices 15 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCo4OF11
_chemical_formula_sum "Mg1 Co4 O1 F11"
_cell_length_a 7.35809105
_cell_length_b 5.22556949
_cell_length_c 5.55298967
_cell_angle_alpha 89.62041699
_cell_angle_beta 94.15737183
_cell_angle_gamma 89.9231588
_space_group_nam... | data_image0
_chemical_formula_structural MgCo4F10OF
_chemical_formula_sum "Mg1 Co4 F11 O1"
_cell_length_a 7.35809105
_cell_length_b 5.22556949
_cell_length_c 5.55298967
_cell_angle_alpha 89.62041699
_cell_angle_beta 94.15737183
_cell_angle_gamma 89.9231588
_space_group_na... |
SwapAtomsAction | ee2aeb1f-395f-416a-91ab-6acabd162c7a | mp-19484 | 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 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 BaCaBa2Ca2BaCaV8O28
_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... |
SwapAtomsAction | 0bb2e6ca-f96c-461e-a3e2-ba94eb64fe62 | mp-1407867 | 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 Y2Sn4O8
_chemical_formula_sum "Y2 Sn4 O8"
_cell_length_a 6.86205727
_cell_length_b 6.862057270000001
_cell_length_c 6.862057270000001
_cell_angle_alpha 126.91866520999997
_cell_angle_beta 126.91866521
_cell_angle_gamma 78.38341797
... | data_image0
_chemical_formula_structural Y2OSn3O6SnO
_chemical_formula_sum "Y2 O8 Sn4"
_cell_length_a 6.86205727
_cell_length_b 6.862057270000001
_cell_length_c 6.862057270000001
_cell_angle_alpha 126.91866520999997
_cell_angle_beta 126.91866521
_cell_angle_gamma 78.383417... |
SwapAtomsAction | d1f6405c-5a1a-412f-afec-b106cf4d925e | mp-1193265 | Swap the spatial positions of atoms at indices 11 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Sb4Se12
_chemical_formula_sum "Na12 Sb4 Se12"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_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 Na11SeSb4Se5NaSe6
_chemical_formula_sum "Na12 Se12 Sb4"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 99cc3a01-9d59-4087-b03d-f9a036ed249b | mp-1046251 | Swap the spatial positions of atoms at indices 21 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural OTa3Zn4W2O11TaO4
_chemical_formula_sum "O16 Ta4 Zn4 W2"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_sp... |
SwapAtomsAction | e3e23655-1cb0-4d32-9ab7-cbefcbc83acf | mp-849781 | Swap the spatial positions of atoms at indices 13 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Co4Si4O16
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 5.368105
_cell_length_b 7.887216
_cell_length_c 8.49714963
_cell_angle_alpha 74.9934809
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Co4SiOSi2OSiO14
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 5.368105
_cell_length_b 7.887216
_cell_length_c 8.49714963
_cell_angle_alpha 74.9934809
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | 51d71143-69db-4d6f-a9d2-3a666e0c7be0 | mp-867658 | Swap the spatial positions of atoms at indices 18 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La14Mn13O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... | data_image0
_chemical_formula_structural La9MnLa4Mn4LaMn8O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100... |
SwapAtomsAction | fd5288f8-5bae-49be-98ad-5dfab2b05836 | mp-1368020 | Swap the spatial positions of atoms at indices 8 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Cu2W2O12
_chemical_formula_sum "Ca4 Cu2 W2 O12"
_cell_length_a 5.721609
_cell_length_b 5.509642
_cell_length_c 9.40067408
_cell_angle_alpha 54.37303537
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural OCa3Cu2W2CaO11
_chemical_formula_sum "O12 Ca4 Cu2 W2"
_cell_length_a 5.721609
_cell_length_b 5.509642
_cell_length_c 9.40067408
_cell_angle_alpha 54.37303537
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 25419d8b-68e9-4317-b0f6-3a5b0046ea9c | mp-1176929 | Swap the spatial positions of atoms at indices 19 and 37 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227000000... | data_image0
_chemical_formula_structural Li12V6POP14O3PO54
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.311362270... |
SwapAtomsAction | 9ba9ab6f-1359-4626-a65d-a93e2219df9c | mp-28301 | 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 Os8Br32
_chemical_formula_sum "Os8 Br32"
_cell_length_a 6.38207203
_cell_length_b 12.59781404
_cell_length_c 14.89946369
_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 Os4BrOs4Br31
_chemical_formula_sum "Os8 Br32"
_cell_length_a 6.38207203
_cell_length_b 12.59781404
_cell_length_c 14.89946369
_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 | c42a10ae-f92e-4cbf-8707-b24e0b9f5de3 | mp-19440 | Swap the spatial positions of atoms at indices 16 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V4O12
_chemical_formula_sum "Li4 V4 O12"
_cell_length_a 7.64851181
_cell_length_b 7.6485118100000005
_cell_length_c 5.79759828
_cell_angle_alpha 68.56626188
_cell_angle_beta 68.56626188
_cell_angle_gamma 83.53101445
_space_group... | data_image0
_chemical_formula_structural Li4V2OVO8VO3
_chemical_formula_sum "Li4 V4 O12"
_cell_length_a 7.64851181
_cell_length_b 7.6485118100000005
_cell_length_c 5.79759828
_cell_angle_alpha 68.56626188
_cell_angle_beta 68.56626188
_cell_angle_gamma 83.53101445
_space_g... |
SwapAtomsAction | 2bfd0cef-8a54-43d5-88ab-b31697e4d327 | mp-30925 | 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 LaN3O6
_chemical_formula_sum "La1 N3 O6"
_cell_length_a 6.23070719
_cell_length_b 6.23070719
_cell_length_c 6.23070647
_cell_angle_alpha 114.82629154999998
_cell_angle_beta 114.82629154999998
_cell_angle_gamma 114.82628240000001
_s... | data_image0
_chemical_formula_structural ON3O5La
_chemical_formula_sum "O6 N3 La1"
_cell_length_a 6.23070719
_cell_length_b 6.23070719
_cell_length_c 6.23070647
_cell_angle_alpha 114.82629154999998
_cell_angle_beta 114.82629154999998
_cell_angle_gamma 114.82628240000001
_... |
SwapAtomsAction | 5e789ff6-31df-4848-8a94-9458b7bd6abe | mp-560603 | Swap the spatial positions of atoms at indices 8 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Mg2Si10O24
_chemical_formula_sum "Na4 Mg2 Si10 O24"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Mg2Si2OSi7O3SiO20
_chemical_formula_sum "Na4 Mg2 Si10 O24"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SwapAtomsAction | c44cad7b-503b-4f2c-a973-4bd73516de53 | mp-767219 | Swap the spatial positions of atoms at indices 29 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Ti8Mn2Co8O36
_chemical_formula_sum "Li8 Ti8 Mn2 Co8 O36"
_cell_length_a 2.88784
_cell_length_b 9.009081
_cell_length_c 24.670932
_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 Li8Ti8Mn2CoOCo6O3CoO32
_chemical_formula_sum "Li8 Ti8 Mn2 Co8 O36"
_cell_length_a 2.88784
_cell_length_b 9.009081
_cell_length_c 24.670932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | a131e6c3-aab6-45d9-ac04-002612fd5b70 | mp-1112589 | Swap the spatial positions of atoms at indices 3 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2HgPdF6
_chemical_formula_sum "Cs2 Hg1 Pd1 F6"
_cell_length_a 6.45417937
_cell_length_b 6.454179370000001
_cell_length_c 6.454179369999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural PdCsHgCsF6
_chemical_formula_sum "Pd1 Cs2 Hg1 F6"
_cell_length_a 6.45417937
_cell_length_b 6.454179370000001
_cell_length_c 6.454179369999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
SwapAtomsAction | 766ae665-1c5a-4822-b19b-46394c628613 | mp-1204890 | Swap the spatial positions of atoms at indices 22 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr4N8O36
_chemical_formula_sum "Zr4 N8 O36"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space_group... | data_image0
_chemical_formula_structural OZr3N8O10ZrO25
_chemical_formula_sum "O36 Zr4 N8"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space... |
SwapAtomsAction | 964301b3-543b-4006-9575-d9cefd2b9fab | mp-1111032 | 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 Rb2HgIrF6
_chemical_formula_sum "Rb2 Hg1 Ir1 F6"
_cell_length_a 6.86860193
_cell_length_b 6.8686019300000005
_cell_length_c 6.86860193
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... | data_image0
_chemical_formula_structural Rb2HgFIrF5
_chemical_formula_sum "Rb2 Hg1 F6 Ir1"
_cell_length_a 6.86860193
_cell_length_b 6.8686019300000005
_cell_length_c 6.86860193
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
SwapAtomsAction | e24b786b-5d09-4a6a-b0d5-28e7af408c31 | mp-1028424 | 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 CsMg14Co
_chemical_formula_sum "Cs1 Mg14 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg5CsMg9Co
_chemical_formula_sum "Mg14 Cs1 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt ... |
SwapAtomsAction | d5bbb9f6-b78f-451b-bb91-86bbd596576a | mp-2218964 | Swap the spatial positions of atoms at indices 3 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgMn3TeO8
_chemical_formula_sum "Mg1 Mn3 Te1 O8"
_cell_length_a 6.20133901
_cell_length_b 6.36047727
_cell_length_c 6.2012102
_cell_angle_alpha 59.88171875999999
_cell_angle_beta 58.58960310999999
_cell_angle_gamma 59.88253086999999... | data_image0
_chemical_formula_structural Mn3MgTeO8
_chemical_formula_sum "Mn3 Mg1 Te1 O8"
_cell_length_a 6.20133901
_cell_length_b 6.36047727
_cell_length_c 6.2012102
_cell_angle_alpha 59.88171875999999
_cell_angle_beta 58.58960310999999
_cell_angle_gamma 59.88253086999999... |
SwapAtomsAction | 825b7a4a-fae2-4185-843c-b0f307b487a8 | mp-1173973 | 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 Li5Mn2CoO8
_chemical_formula_sum "Li5 Mn2 Co1 O8"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431964
_... | data_image0
_chemical_formula_structural Li2OLi2Mn2CoO5LiO2
_chemical_formula_sum "Li5 O8 Mn2 Co1"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.14... |
SwapAtomsAction | 1e047b35-1b8e-46dd-a554-e694e9ceb555 | mp-850998 | Swap the spatial positions of atoms at indices 33 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn6B6O18
_chemical_formula_sum "Li4 Mn6 B6 O18"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.55685340999999
_... | data_image0
_chemical_formula_structural Li4Mn6B3OB2O17B
_chemical_formula_sum "Li4 Mn6 B6 O18"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.5568534099999... |
SwapAtomsAction | 44f21297-9715-466c-9211-9c0b9e5cc73f | mp-1204232 | Swap the spatial positions of atoms at indices 14 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na9U3Si4O20F2
_chemical_formula_sum "Na9 U3 Si4 O20 F2"
_cell_length_a 5.946702
_cell_length_b 7.4835360500000006
_cell_length_c 12.04553321
_cell_angle_alpha 89.95161405
_cell_angle_beta 84.72313458999999
_cell_angle_gamma 89.99330... | data_image0
_chemical_formula_structural Na6SiNa2U3Si2NaSiO20F2
_chemical_formula_sum "Na9 Si4 U3 O20 F2"
_cell_length_a 5.946702
_cell_length_b 7.4835360500000006
_cell_length_c 12.04553321
_cell_angle_alpha 89.95161405
_cell_angle_beta 84.72313458999999
_cell_angle_gamma ... |
SwapAtomsAction | 4c6750c7-7390-4599-866f-741fc05f257b | mp-1196102 | Swap the spatial positions of atoms at indices 11 and 28 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe2Ge6H8Pb2O20
_chemical_formula_sum "Fe2 Ge6 H8 Pb2 O20"
_cell_length_a 5.48014973
_cell_length_b 6.0174908
_cell_length_c 13.750376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.16266634000002
_space_group_na... | data_image0
_chemical_formula_structural Fe2Ge6H3OH4Pb2O10HO9
_chemical_formula_sum "Fe2 Ge6 H8 O20 Pb2"
_cell_length_a 5.48014973
_cell_length_b 6.0174908
_cell_length_c 13.750376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.16266634000002
_space_gr... |
SwapAtomsAction | 6d165087-28fd-4513-8b9e-422f4171fa5f | mp-29075 | Swap the spatial positions of atoms at indices 10 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... | data_image0
_chemical_formula_structural Ga6Bi4ClBi6Cl23
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_s... |
SwapAtomsAction | 016ecc83-d9cb-40f6-bdf0-1f95bc2cd71a | mp-30437 | Swap the spatial positions of atoms at indices 6 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Sn4Pd4
_chemical_formula_sum "Ca4 Sn4 Pd4"
_cell_length_a 4.63728853
_cell_length_b 7.35881275
_cell_length_c 7.98914883
_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 Ca3Sn3CaSnPd4
_chemical_formula_sum "Ca4 Sn4 Pd4"
_cell_length_a 4.63728853
_cell_length_b 7.35881275
_cell_length_c 7.98914883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | ba168572-014a-4176-b14f-9ce2ac196399 | mp-1214585 | 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 Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 Ba2PrOCu2O2CuO3
_chemical_formula_sum "Ba2 Pr1 O6 Cu3"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | 8a89209f-7381-46bb-a1c8-241571dbfd9d | mp-1026451 | 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 Mg14BW
_chemical_formula_sum "Mg14 B1 W1"
_cell_length_a 6.1799333
_cell_length_b 6.179932829999999
_cell_length_c 9.7499251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000250999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Mg5BMg9W
_chemical_formula_sum "Mg14 B1 W1"
_cell_length_a 6.1799333
_cell_length_b 6.179932829999999
_cell_length_c 9.7499251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000250999999
_space_group_name_H-M_... |
SwapAtomsAction | 1fbb8901-b477-4621-acfb-1a507c6825d0 | mp-1522401 | 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 Sr2GdWO6
_chemical_formula_sum "Sr2 Gd1 W1 O6"
_cell_length_a 5.98526548
_cell_length_b 5.98526548
_cell_length_c 5.98526548
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Sr2OWO3GdO2
_chemical_formula_sum "Sr2 O6 W1 Gd1"
_cell_length_a 5.98526548
_cell_length_b 5.98526548
_cell_length_c 5.98526548
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
SwapAtomsAction | 467878e0-90cc-4cab-8f96-1319625b5291 | mp-554835 | Swap the spatial positions of atoms at indices 37 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Zr4V4F28
_chemical_formula_sum "K4 Zr4 V4 F28"
_cell_length_a 6.615048
_cell_length_b 8.076241
_cell_length_c 11.349502
_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 K4Zr3FV4F25ZrF2
_chemical_formula_sum "K4 Zr4 F28 V4"
_cell_length_a 6.615048
_cell_length_b 8.076241
_cell_length_c 11.349502
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | 247b5f95-b94b-4c02-a225-d3bdf23ab7ca | mp-1220551 | Swap the spatial positions of atoms at indices 9 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb4AgBi5O18
_chemical_formula_sum "Nb4 Ag1 Bi5 O18"
_cell_length_a 12.9369977
_cell_length_b 12.9369977
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle_gamma 155.1355268
_space_group... | data_image0
_chemical_formula_structural Nb4AgBi4O15BiO3
_chemical_formula_sum "Nb4 Ag1 Bi5 O18"
_cell_length_a 12.9369977
_cell_length_b 12.9369977
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle_gamma 155.1355268
_space_g... |
SwapAtomsAction | 8f6b7c55-691e-4221-8342-2099e0e61bcb | mp-11465 | Swap the spatial positions of atoms at indices 11 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg10Hg6
_chemical_formula_sum "Mg10 Hg6"
_cell_length_a 8.22667506
_cell_length_b 8.22667412
_cell_length_c 5.86925634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000375999998
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg5HgMg4HgMgHg4
_chemical_formula_sum "Mg10 Hg6"
_cell_length_a 8.22667506
_cell_length_b 8.22667412
_cell_length_c 5.86925634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000375999998
_space_group_name_H-M_... |
SwapAtomsAction | c1ec7317-53ad-471d-a085-beb2aafe6527 | mp-1246013 | Swap the spatial positions of atoms at indices 2 and 1 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 VCVC2N6
_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 ... |
SwapAtomsAction | 10b796e0-a7e0-45af-b82c-1ed56074eab6 | mp-560635 | 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 Cs8Mo4S16
_chemical_formula_sum "Cs8 Mo4 S16"
_cell_length_a 7.30251068
_cell_length_b 10.19212873
_cell_length_c 12.9339905
_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 Cs8MoSMo2S3MoS12
_chemical_formula_sum "Cs8 Mo4 S16"
_cell_length_a 7.30251068
_cell_length_b 10.19212873
_cell_length_c 12.9339905
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 3f9e97c7-6e79-466f-a066-456d4c72c89b | mp-697850 | Swap the spatial positions of atoms at indices 51 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Cr4P16O48
_chemical_formula_sum "Li8 Cr4 P16 O48"
_cell_length_a 10.159209
_cell_length_b 9.40003
_cell_length_c 9.47136605
_cell_angle_alpha 88.12112881
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li5OLi2Cr4P16O23LiO24
_chemical_formula_sum "Li8 O48 Cr4 P16"
_cell_length_a 10.159209
_cell_length_b 9.40003
_cell_length_c 9.47136605
_cell_angle_alpha 88.12112881
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SwapAtomsAction | 23d5fd3a-ed4c-4c26-b2e1-e886132cdedb | mp-756311 | Swap the spatial positions of atoms at indices 13 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe4Sn4O16
_chemical_formula_sum "Li4 Fe4 Sn4 O16"
_cell_length_a 6.06921841
_cell_length_b 6.316308
_cell_length_c 8.747379999999998
_cell_angle_alpha 90.00000655
_cell_angle_beta 90.00000292
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Li2OLiFe4Sn4OLiO14
_chemical_formula_sum "Li4 O16 Fe4 Sn4"
_cell_length_a 6.06921841
_cell_length_b 6.316308
_cell_length_c 8.747379999999998
_cell_angle_alpha 90.00000655
_cell_angle_beta 90.00000292
_cell_angle_gamma 90.0
_space_... |
SwapAtomsAction | 5d7e2161-b978-4aa1-b063-e2215e5b6a70 | mp-1103771 | Swap the spatial positions of atoms at indices 26 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Li4Mn2V4O16
_chemical_formula_sum "Ba2 Li4 Mn2 V4 O16"
_cell_length_a 5.35145904
_cell_length_b 9.1378704
_cell_length_c 9.12853731
_cell_angle_alpha 61.04528758000001
_cell_angle_beta 72.95561526
_cell_angle_gamma 73.00019055999... | data_image0
_chemical_formula_structural Ba2OLi3Mn2V4O14LiO
_chemical_formula_sum "Ba2 O16 Li4 Mn2 V4"
_cell_length_a 5.35145904
_cell_length_b 9.1378704
_cell_length_c 9.12853731
_cell_angle_alpha 61.04528758000001
_cell_angle_beta 72.95561526
_cell_angle_gamma 73.0001905... |
SwapAtomsAction | a3f38e26-92b8-47b1-ae40-21ffa4f79ca9 | mp-753244 | 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 Li2Mn4F18
_chemical_formula_sum "Li2 Mn4 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space_group... | data_image0
_chemical_formula_structural Li2MnFMn2F5MnF12
_chemical_formula_sum "Li2 Mn4 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_spac... |
SwapAtomsAction | 69616eb4-2a6b-45ff-8895-e39c8550733a | mp-1666930 | Swap the spatial positions of atoms at indices 14 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li10Cr4Co6O20
_chemical_formula_sum "Li10 Cr4 Co6 O20"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma 70... | data_image0
_chemical_formula_structural Li10Cr2CoCr2Co5O20
_chemical_formula_sum "Li10 Cr4 Co6 O20"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma ... |
SwapAtomsAction | 6aa60fb5-660e-4713-bf79-69178d596dab | mp-1228395 | Swap the spatial positions of atoms at indices 3 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba6Sm3AlCu8O20
_chemical_formula_sum "Ba6 Sm3 Al1 Cu8 O20"
_cell_length_a 5.546785
_cell_length_b 8.674801310000001
_cell_length_c 12.67449835
_cell_angle_alpha 74.32509264
_cell_angle_beta 77.78694691
_cell_angle_gamma 73.28461105
... | data_image0
_chemical_formula_structural Ba3CuBa2Sm3AlCu4BaCu3O20
_chemical_formula_sum "Ba6 Cu8 Sm3 Al1 O20"
_cell_length_a 5.546785
_cell_length_b 8.674801310000001
_cell_length_c 12.67449835
_cell_angle_alpha 74.32509264
_cell_angle_beta 77.78694691
_cell_angle_gamma 73... |
SwapAtomsAction | e35594e0-ccab-48c9-985f-383a906109bc | mp-1247447 | 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 Mg2Sc3MnS8
_chemical_formula_sum "Mg2 Sc3 Mn1 S8"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_space_... | data_image0
_chemical_formula_structural MgSSc3MnSMgS6
_chemical_formula_sum "Mg2 S8 Sc3 Mn1"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_spa... |
SwapAtomsAction | 687c4dd4-a012-4ea7-9d65-b0fe950aad5a | mp-1176871 | Swap the spatial positions of atoms at indices 38 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li14V6P16O58
_chemical_formula_sum "Li14 V6 P16 O58"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.94911286999999
... | data_image0
_chemical_formula_structural Li10OLi3V6P16O2LiO55
_chemical_formula_sum "Li14 O58 V6 P16"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.9491128... |
SwapAtomsAction | 1ae5fe90-31da-4542-9b1f-531526b161a1 | mp-572465 | Swap the spatial positions of atoms at indices 17 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4PSP6SPS22
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | cbc6a7cb-e4f4-4eac-8b37-895aeaa7a303 | mp-1233509 | Swap the spatial positions of atoms at indices 8 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaSm4Tm4O12
_chemical_formula_sum "Ca1 Sm4 Tm4 O12"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural CaSm4Tm3O11TmO
_chemical_formula_sum "Ca1 Sm4 Tm4 O12"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | 27447b76-7930-4f59-b9e9-010c2eee4375 | mp-1209044 | Swap the spatial positions of atoms at indices 13 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc20Sb12
_chemical_formula_sum "Sc20 Sb12"
_cell_length_a 7.61616863
_cell_length_b 8.76414466
_cell_length_c 11.17943473
_cell_angle_alpha 90.0
_cell_angle_beta 90.00107002
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sc13SbSc6Sb4ScSb7
_chemical_formula_sum "Sc20 Sb12"
_cell_length_a 7.61616863
_cell_length_b 8.76414466
_cell_length_c 11.17943473
_cell_angle_alpha 90.0
_cell_angle_beta 90.00107002
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | cd20c68c-1616-48e8-a36e-9b12286a6838 | mp-13602 | Swap the spatial positions of atoms at indices 18 and 43 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd12As8O32
_chemical_formula_sum "Cd12 As8 O32"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd12As6OAsO23AsO8
_chemical_formula_sum "Cd12 As8 O32"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SwapAtomsAction | 87bd87eb-8853-47b6-9652-a199549cf594 | mp-1076627 | Swap the spatial positions of atoms at indices 24 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr8Ti4Mn4O20
_chemical_formula_sum "Sr8 Ti4 Mn4 O20"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.36900562
_space_... | data_image0
_chemical_formula_structural SrOSr6Ti4Mn4O8SrO11
_chemical_formula_sum "Sr8 O20 Ti4 Mn4"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.36900562
... |
SwapAtomsAction | 4be82e77-8b1b-4634-baa9-c2ff21db2c1d | mp-1173893 | 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 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 Li3OMn2Co2O5LiO2
_chemical_formula_sum "Li4 O8 Mn2 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_gr... |
SwapAtomsAction | c651b301-4e1b-4e6a-8596-4795c44456b4 | mp-559163 | Swap the spatial positions of atoms at indices 3 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Fe4As8O28
_chemical_formula_sum "K4 Fe4 As8 O28"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space_gro... | data_image0
_chemical_formula_structural K3OFe4As8O7KO20
_chemical_formula_sum "K4 O28 Fe4 As8"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space... |
SwapAtomsAction | e3a3f557-cfcf-409a-843a-3bbdc999e1f1 | mp-1233561 | Swap the spatial positions of atoms at indices 10 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCo4P8O28
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 6.83834011
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gamma 90.368... | data_image0
_chemical_formula_structural MgCo4P5OP2O5PO22
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 6.83834011
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gamma ... |
SwapAtomsAction | 3a5a5f94-50c9-4bed-90aa-3c054a5203e4 | mp-27309 | Swap the spatial positions of atoms at indices 18 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V8F40
_chemical_formula_sum "V8 F40"
_cell_length_a 5.39836063
_cell_length_b 7.402808
_cell_length_c 16.08718786
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural V6FVF10VF29
_chemical_formula_sum "V8 F40"
_cell_length_a 5.39836063
_cell_length_b 7.402808
_cell_length_c 16.08718786
_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 | 1acc35ac-d18a-40b7-93ae-4cb8ae2f1f3f | mp-690556 | Swap the spatial positions of atoms at indices 15 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2La2Mn2Ru2O12
_chemical_formula_sum "Ca2 La2 Mn2 Ru2 O12"
_cell_length_a 5.716248
_cell_length_b 5.559046
_cell_length_c 9.66349457
_cell_angle_alpha 55.05739802000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Ca2La2OMnRu2O7MnO4
_chemical_formula_sum "Ca2 La2 O12 Mn2 Ru2"
_cell_length_a 5.716248
_cell_length_b 5.559046
_cell_length_c 9.66349457
_cell_angle_alpha 55.05739802000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SwapAtomsAction | 7a817bdd-4278-4400-b168-37cf10d58757 | mp-1029550 | Swap the spatial positions of atoms at indices 12 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca8Cr4N12
_chemical_formula_sum "Ca8 Cr4 N12"
_cell_length_a 5.88679425
_cell_length_b 5.88679425
_cell_length_c 11.61366427
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 124.75774528
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca8NCr4N11
_chemical_formula_sum "Ca8 N12 Cr4"
_cell_length_a 5.88679425
_cell_length_b 5.88679425
_cell_length_c 11.61366427
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 124.75774528
_space_group_name_H-M_alt ... |
SwapAtomsAction | fad0f355-2fc3-4e92-bfa3-69018eac03f4 | mp-1040209 | Swap the spatial positions of atoms at indices 56 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KMg30GaO32
_chemical_formula_sum "K1 Mg30 Ga1 O32"
_cell_length_a 8.606815
_cell_length_b 8.606815
_cell_length_c 8.552012
_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 KMg17OMg12GaO24MgO7
_chemical_formula_sum "K1 Mg30 O32 Ga1"
_cell_length_a 8.606815
_cell_length_b 8.606815
_cell_length_c 8.552012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 13932f9c-8b4b-4b9a-9e62-15712f121703 | mp-1228355 | 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 Ba8Sn2Ge4S16Br4
_chemical_formula_sum "Ba8 Sn2 Ge4 S16 Br4"
_cell_length_a 9.107169
_cell_length_b 9.29278
_cell_length_c 12.108653
_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 Ba5SnBa2SnBaGe4S16Br4
_chemical_formula_sum "Ba8 Sn2 Ge4 S16 Br4"
_cell_length_a 9.107169
_cell_length_b 9.29278
_cell_length_c 12.108653
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | 4a4c4a20-6f11-470e-a54c-17e49fcf0875 | mp-850934 | Swap the spatial positions of atoms at indices 7 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe6O11F
_chemical_formula_sum "Fe6 O11 F1"
_cell_length_a 4.633818
_cell_length_b 5.50847985
_cell_length_c 7.55472791
_cell_angle_alpha 84.91090458999999
_cell_angle_beta 89.07644466999999
_cell_angle_gamma 88.78384201
_space_grou... | data_image0
_chemical_formula_structural Fe4OFeOFeO9F
_chemical_formula_sum "Fe6 O11 F1"
_cell_length_a 4.633818
_cell_length_b 5.50847985
_cell_length_c 7.55472791
_cell_angle_alpha 84.91090458999999
_cell_angle_beta 89.07644466999999
_cell_angle_gamma 88.78384201
_space... |
SwapAtomsAction | 066788e9-71bb-46a0-b9a2-b359c00f0679 | mp-26228 | Swap the spatial positions of atoms at indices 11 and 38 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... | data_image0
_chemical_formula_structural V4P7O27PO
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
... |
SwapAtomsAction | 9114e0a1-1128-48a2-86ab-5afe8b919f0f | mp-568136 | Swap the spatial positions of atoms at indices 4 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural Rb4BrRbV6Br11RbBr6
_chemical_formula_sum "Rb6 Br18 V6"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999... |
SwapAtomsAction | 6cd1232e-ddb7-47ee-92da-b4f9dac09723 | mp-1193101 | Swap the spatial positions of atoms at indices 2 and 28 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr6Mn6O18
_chemical_formula_sum "Sr6 Mn6 O18"
_cell_length_a 5.42140775
_cell_length_b 5.42140784
_cell_length_c 13.37753335
_cell_angle_alpha 89.99999897
_cell_angle_beta 90.0000015
_cell_angle_gamma 119.99995005
_space_group_name... | data_image0
_chemical_formula_structural Sr2OSr3Mn6O16SrO
_chemical_formula_sum "Sr6 O18 Mn6"
_cell_length_a 5.42140775
_cell_length_b 5.42140784
_cell_length_c 13.37753335
_cell_angle_alpha 89.99999897
_cell_angle_beta 90.0000015
_cell_angle_gamma 119.99995005
_space_gro... |
SwapAtomsAction | 48edd918-fe10-4fab-85e7-a441cfb8fd36 | mp-755554 | 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 Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 4.58985747
_cell_length_b 5.536503
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural FLiFe2F6LiF
_chemical_formula_sum "F8 Li2 Fe2"
_cell_length_a 4.58985747
_cell_length_b 5.536503
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 1922bcd3-0b2f-4b0c-857f-83d7d4e507e1 | mp-754851 | Swap the spatial positions of atoms at indices 26 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co4Sn4O16
_chemical_formula_sum "Li8 Co4 Sn4 O16"
_cell_length_a 5.96131296
_cell_length_b 8.06893522
_cell_length_c 8.06876536
_cell_angle_alpha 111.35697518
_cell_angle_beta 68.32025619
_cell_angle_gamma 111.68295944000002
_sp... | data_image0
_chemical_formula_structural LiOLi6Co4Sn4O10LiO5
_chemical_formula_sum "Li8 O16 Co4 Sn4"
_cell_length_a 5.96131296
_cell_length_b 8.06893522
_cell_length_c 8.06876536
_cell_angle_alpha 111.35697518
_cell_angle_beta 68.32025619
_cell_angle_gamma 111.682959440000... |
SwapAtomsAction | dcc4ea00-2d50-4590-8a23-343310af5ed9 | mp-558289 | Swap the spatial positions of atoms at indices 11 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U4Ag8Se8O32
_chemical_formula_sum "U4 Ag8 Se8 O32"
_cell_length_a 6.633157
_cell_length_b 5.998611
_cell_length_c 21.68985918
_cell_angle_alpha 80.49377908
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U4Ag7OSe8O3AgO28
_chemical_formula_sum "U4 Ag8 O32 Se8"
_cell_length_a 6.633157
_cell_length_b 5.998611
_cell_length_c 21.68985918
_cell_angle_alpha 80.49377908
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | 678ff5a2-9af3-49cf-b863-41efb753beb0 | mp-705637 | Swap the spatial positions of atoms at indices 80 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni16P16O64
_chemical_formula_sum "Ni16 P16 O64"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_space_group_... | data_image0
_chemical_formula_structural Ni12ONi3P16O48NiO15
_chemical_formula_sum "Ni16 O64 P16"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_spa... |
SwapAtomsAction | 95d3b27a-c225-4941-8168-df61e2c9c07e | mp-1191086 | Swap the spatial positions of atoms at indices 2 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nd2PMn2Cu9P6Mn
_chemical_formula_sum "Nd2 P7 Mn3 Cu9"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_... |
SwapAtomsAction | d5889991-e2e9-4655-aff0-8cf02b6c9368 | mp-30385 | Swap the spatial positions of atoms at indices 9 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho8Au4
_chemical_formula_sum "Ho8 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ho6AuHoAuHoAu2
_chemical_formula_sum "Ho8 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 8dafe434-0639-4296-8142-17bf611aaceb | mp-735027 | Swap the spatial positions of atoms at indices 19 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4S8N4O36
_chemical_formula_sum "V4 S8 N4 O36"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural V4S5OS2N4O3SO32
_chemical_formula_sum "V4 S8 O36 N4"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_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 | 7fc20383-dcb3-4f18-a027-e1df47157bbf | mp-1239253 | 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 NbCr3Ag2S8
_chemical_formula_sum "Nb1 Cr3 Ag2 S8"
_cell_length_a 7.21965027
_cell_length_b 7.21965027
_cell_length_c 7.28202321
_cell_angle_alpha 60.76293235000001
_cell_angle_beta 60.76293234999999
_cell_angle_gamma 60.876866499999... | data_image0
_chemical_formula_structural SCr3Ag2NbS7
_chemical_formula_sum "S8 Cr3 Ag2 Nb1"
_cell_length_a 7.21965027
_cell_length_b 7.21965027
_cell_length_c 7.28202321
_cell_angle_alpha 60.76293235000001
_cell_angle_beta 60.76293234999999
_cell_angle_gamma 60.87686649999... |
SwapAtomsAction | 107081ce-339f-4633-a85d-5906bd09b3cc | mp-776267 | Swap the spatial positions of atoms at indices 10 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O16"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.00148019000001
... | data_image0
_chemical_formula_structural Li4Mn3Cr3OWO11WO4
_chemical_formula_sum "Li4 Mn3 Cr3 O16 W2"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.0014801900000... |
SwapAtomsAction | 2748e1a7-1948-408e-8481-424bd0331ba4 | mp-1043670 | Swap the spatial positions of atoms at indices 19 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn2Ni8O12
_chemical_formula_sum "Zn2 Ni8 O12"
_cell_length_a 5.09046752
_cell_length_b 5.09046752
_cell_length_c 14.89922
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74064449
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zn2Ni2ONi5O9NiO2
_chemical_formula_sum "Zn2 Ni8 O12"
_cell_length_a 5.09046752
_cell_length_b 5.09046752
_cell_length_c 14.89922
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74064449
_space_group_name_H-M_alt ... |
SwapAtomsAction | 60bcfbe0-4fc7-462c-97c8-a0af35590294 | mp-704879 | Swap the spatial positions of atoms at indices 30 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni10Te8Br4O24
_chemical_formula_sum "Ni10 Te8 Br4 O24"
_cell_length_a 10.571472
_cell_length_b 10.571471999999998
_cell_length_c 16.45824874
_cell_angle_alpha 56.37224867999999
_cell_angle_beta 56.37224868
_cell_angle_gamma 29.10422... | data_image0
_chemical_formula_structural Ni10Te8OBr3O8BrO15
_chemical_formula_sum "Ni10 Te8 O24 Br4"
_cell_length_a 10.571472
_cell_length_b 10.571471999999998
_cell_length_c 16.45824874
_cell_angle_alpha 56.37224867999999
_cell_angle_beta 56.37224868
_cell_angle_gamma 29.... |
SwapAtomsAction | 8922b5fa-5dba-48fe-9491-95fc6c9387bd | mp-19512 | Swap the spatial positions of atoms at indices 31 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4V8P8O40
_chemical_formula_sum "Ba4 V8 P8 O40"
_cell_length_a 9.350869
_cell_length_b 5.296802
_cell_length_c 16.5859852
_cell_angle_alpha 87.26925142
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ba4V8P6OPO11PO28
_chemical_formula_sum "Ba4 V8 P8 O40"
_cell_length_a 9.350869
_cell_length_b 5.296802
_cell_length_c 16.5859852
_cell_angle_alpha 87.26925142
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 016587aa-9396-442a-bd9f-ba2f0c3be05e | mp-7199 | 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 Rb2Pr2Te8
_chemical_formula_sum "Rb2 Pr2 Te8"
_cell_length_a 7.0061598
_cell_length_b 7.0061598
_cell_length_c 9.23461387
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural TeRbPr2Te4RbTe3
_chemical_formula_sum "Te8 Rb2 Pr2"
_cell_length_a 7.0061598
_cell_length_b 7.0061598
_cell_length_c 9.23461387
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 5bce769f-1753-4d62-ac2f-aee1d1ded3ab | mp-10339 | Swap the spatial positions of atoms at indices 7 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Nb4O12
_chemical_formula_sum "Sr4 Nb4 O12"
_cell_length_a 5.72665767
_cell_length_b 5.73016776
_cell_length_c 8.13508265
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sr4Nb3O2NbO10
_chemical_formula_sum "Sr4 Nb4 O12"
_cell_length_a 5.72665767
_cell_length_b 5.73016776
_cell_length_c 8.13508265
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | f11ee53b-995a-4d02-9d40-dcdf071bd0ac | mp-1247690 | Swap the spatial positions of atoms at indices 3 and 31 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrCa7Mn8O24
_chemical_formula_sum "Sr1 Ca7 Mn8 O24"
_cell_length_a 7.618931
_cell_length_b 7.618931
_cell_length_c 7.618931
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural SrCa2OCa4Mn8O15CaO8
_chemical_formula_sum "Sr1 Ca7 O24 Mn8"
_cell_length_a 7.618931
_cell_length_b 7.618931
_cell_length_c 7.618931
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 931a75b7-2775-49ae-a534-8effc0e90413 | mp-1194089 | Swap the spatial positions of atoms at indices 20 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaMn28
_chemical_formula_sum "Ca1 Mn28"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Mn20CaMn8
_chemical_formula_sum "Mn28 Ca1"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_H-M... |
SwapAtomsAction | 33b01dbc-bc1d-4932-8d65-774250811280 | mp-18051 | 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 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 LaOLa6Ti4O15LaO4
_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_gr... |
SwapAtomsAction | 1f0b42ce-6572-4cdc-ac56-3ddce60578c4 | mp-715438 | 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 Fe6O8
_chemical_formula_sum "Fe6 O8"
_cell_length_a 2.94267094
_cell_length_b 5.098815649999999
_cell_length_c 9.99026188
_cell_angle_alpha 90.1093699
_cell_angle_beta 90.23295843
_cell_angle_gamma 73.27708706
_space_group_name_H-M... | data_image0
_chemical_formula_structural FeOFe4O5FeO2
_chemical_formula_sum "Fe6 O8"
_cell_length_a 2.94267094
_cell_length_b 5.098815649999999
_cell_length_c 9.99026188
_cell_angle_alpha 90.1093699
_cell_angle_beta 90.23295843
_cell_angle_gamma 73.27708706
_space_group_n... |
SwapAtomsAction | 8375a987-7224-47a0-804d-89695da0bdf6 | mp-554765 | Swap the spatial positions of atoms at indices 11 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... | data_image0
_chemical_formula_structural BaFSbF8SbF3
_chemical_formula_sum "Ba1 F12 Sb2"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_gro... |
SwapAtomsAction | 9b4d2d5b-493a-4cce-92a7-5a9b3a8082f0 | mp-1208150 | Swap the spatial positions of atoms at indices 16 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Th4Cr4Sb12
_chemical_formula_sum "Th4 Cr4 Sb12"
_cell_length_a 6.199992
_cell_length_b 6.315171
_cell_length_c 12.955849
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Th3SbCr4Sb8ThSb3
_chemical_formula_sum "Th4 Sb12 Cr4"
_cell_length_a 6.199992
_cell_length_b 6.315171
_cell_length_c 12.955849
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
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