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 | 35dea7b2-d0d7-46a9-80ac-89f3f090d8f4 | mp-2713621 | Swap the spatial positions of atoms at indices 29 and 68 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8POP2O36PO11
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma ... |
SwapAtomsAction | 74e42778-a12a-4469-9c24-07cd90764aad | mp-27741 | 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 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 TeAuTe2Au3TeI4
_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-... |
SwapAtomsAction | 0c41a5da-ee60-41fc-83c1-82696a4289c1 | mp-1016342 | Swap the spatial positions of atoms at indices 14 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Mg12Sb2
_chemical_formula_sum "Sr2 Mg12 Sb2"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_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 Sr2Mg11SbMgSb
_chemical_formula_sum "Sr2 Mg12 Sb2"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_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 | 7e0db171-b534-4b56-bbe1-f60b8c34224a | mp-561248 | Swap the spatial positions of atoms at indices 18 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm8Cu8Te8S8
_chemical_formula_sum "Sm8 Cu8 Te8 S8"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_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 Sm8Cu8Te2STe5S3TeS4
_chemical_formula_sum "Sm8 Cu8 Te8 S8"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 100e13e7-4c6b-4616-8d16-8cbf8f0268a0 | mp-1178123 | 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 Li4Co8O16
_chemical_formula_sum "Li4 Co8 O16"
_cell_length_a 5.72944164
_cell_length_b 5.729441639999999
_cell_length_c 9.404251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.87882780999999
_space_group_name_H-... | data_image0
_chemical_formula_structural Li2OLiCo8O6LiO9
_chemical_formula_sum "Li4 O16 Co8"
_cell_length_a 5.72944164
_cell_length_b 5.729441639999999
_cell_length_c 9.404251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.87882780999999
_space_group_n... |
SwapAtomsAction | 94b0efa8-0b1f-4ef2-828e-776b31859a0c | mp-2232163 | Swap the spatial positions of atoms at indices 11 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFe2S2O8F2
_chemical_formula_sum "Mg1 Fe2 S2 O8 F2"
_cell_length_a 5.43255704
_cell_length_b 5.43448225
_cell_length_c 7.72976369
_cell_angle_alpha 68.54836201
_cell_angle_beta 72.66019112000001
_cell_angle_gamma 91.96954964000001
... | data_image0
_chemical_formula_structural OFe2S2O6MgOF2
_chemical_formula_sum "O8 Fe2 S2 Mg1 F2"
_cell_length_a 5.43255704
_cell_length_b 5.43448225
_cell_length_c 7.72976369
_cell_angle_alpha 68.54836201
_cell_angle_beta 72.66019112000001
_cell_angle_gamma 91.9695496400000... |
SwapAtomsAction | a8314a5f-127c-43d4-b611-3cf999e34be3 | mp-2218162 | Swap the spatial positions of atoms at indices 1 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgNbBi3O7
_chemical_formula_sum "Mg1 Nb1 Bi3 O7"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 60.4450... | data_image0
_chemical_formula_structural MgBi2NbBiO7
_chemical_formula_sum "Mg1 Bi3 Nb1 O7"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 60.44... |
SwapAtomsAction | bf85d458-f29e-4e0b-9eea-5a9a4f863b95 | mp-2227447 | Swap the spatial positions of atoms at indices 10 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgMn3HO6
_chemical_formula_sum "Mg1 Mn3 H1 O6"
_cell_length_a 3.00975532
_cell_length_b 5.20196557
_cell_length_c 7.42103346
_cell_angle_alpha 92.90304337
_cell_angle_beta 101.50906820000002
_cell_angle_gamma 89.93480920999998
_spa... | data_image0
_chemical_formula_structural OMn3HO5Mg
_chemical_formula_sum "O6 Mn3 H1 Mg1"
_cell_length_a 3.00975532
_cell_length_b 5.20196557
_cell_length_c 7.42103346
_cell_angle_alpha 92.90304337
_cell_angle_beta 101.50906820000002
_cell_angle_gamma 89.93480920999998
_sp... |
SwapAtomsAction | 0f847d3a-277d-491c-8b0a-4868c415750c | mp-757417 | Swap the spatial positions of atoms at indices 4 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn3NiP4O16
_chemical_formula_sum "Li4 Mn3 Ni1 P4 O16"
_cell_length_a 6.101448
_cell_length_b 4.768228
_cell_length_c 10.43285751
_cell_angle_alpha 89.89808202999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Li4OMn2NiP4O10MnO5
_chemical_formula_sum "Li4 O16 Mn3 Ni1 P4"
_cell_length_a 6.101448
_cell_length_b 4.768228
_cell_length_c 10.43285751
_cell_angle_alpha 89.89808202999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SwapAtomsAction | 57b347f1-8f3e-422c-8c1f-785c38382ae9 | mp-1182309 | 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 Ca2B4O20
_chemical_formula_sum "Ca2 B4 O20"
_cell_length_a 8.50278134
_cell_length_b 8.50278134
_cell_length_c 8.857175189999998
_cell_angle_alpha 70.68163003
_cell_angle_beta 70.68163003
_cell_angle_gamma 42.86706253999999
_space_... | data_image0
_chemical_formula_structural CaBCaB3O20
_chemical_formula_sum "Ca2 B4 O20"
_cell_length_a 8.50278134
_cell_length_b 8.50278134
_cell_length_c 8.857175189999998
_cell_angle_alpha 70.68163003
_cell_angle_beta 70.68163003
_cell_angle_gamma 42.86706253999999
_spac... |
SwapAtomsAction | 29598ad4-5d58-49ab-9bfb-6e6703194bab | mp-2217709 | 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 MgTiZnBi2O6
_chemical_formula_sum "Mg1 Ti1 Zn1 Bi2 O6"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgTiZnOBiOBiO4
_chemical_formula_sum "Mg1 Ti1 Zn1 O6 Bi2"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_name_H... |
SwapAtomsAction | 5032fd13-08bf-4c45-802d-6c813dced8bc | mp-755742 | Swap the spatial positions of atoms at indices 8 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho4Sb4O14
_chemical_formula_sum "Ho4 Sb4 O14"
_cell_length_a 7.53854295
_cell_length_b 7.53854295
_cell_length_c 7.53854295
_cell_angle_alpha 121.21490040999998
_cell_angle_beta 118.52242450000001
_cell_angle_gamma 90.2433866
_spac... | data_image0
_chemical_formula_structural Ho2OHoSb4HoO13
_chemical_formula_sum "Ho4 O14 Sb4"
_cell_length_a 7.53854295
_cell_length_b 7.53854295
_cell_length_c 7.53854295
_cell_angle_alpha 121.21490040999998
_cell_angle_beta 118.52242450000001
_cell_angle_gamma 90.2433866
... |
SwapAtomsAction | b93eff29-e2de-4a9a-bc5c-05e6ad2c3193 | mp-729312 | 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 K8In4Br20O4
_chemical_formula_sum "K8 In4 Br20 O4"
_cell_length_a 8.351858
_cell_length_b 10.76391
_cell_length_c 13.275205
_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 K6InKInKIn2Br20O4
_chemical_formula_sum "K8 In4 Br20 O4"
_cell_length_a 8.351858
_cell_length_b 10.76391
_cell_length_c 13.275205
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | bcc17c43-4fd9-445b-9cc2-dbc4af92f719 | mp-770481 | Swap the spatial positions of atoms at indices 26 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 Ta7OTaPO16TaO8
_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 | 89af5859-70a3-41a2-a343-861b2646046f | mp-24598 | Swap the spatial positions of atoms at indices 12 and 61 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P4OP3H16O29PO10
_chemical_formula_sum "Ba4 V4 P8 O40 H16"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SwapAtomsAction | 2e109083-e3fd-437e-94ee-ee27fc2f335c | mp-762633 | Swap the spatial positions of atoms at indices 0 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiMn2NiO6
_chemical_formula_sum "Li1 Mn2 Ni1 O6"
_cell_length_a 2.915938
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
_space_gr... | data_image0
_chemical_formula_structural NiMn2LiO6
_chemical_formula_sum "Ni1 Mn2 Li1 O6"
_cell_length_a 2.915938
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
_space_gr... |
SwapAtomsAction | 42182618-e118-4cc5-a58d-8c53f632e24d | mp-1174239 | Swap the spatial positions of atoms at indices 0 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... | data_image0
_chemical_formula_structural OLi7Co6O8LiO5
_chemical_formula_sum "O14 Li8 Co6"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_nam... |
SwapAtomsAction | 448ec54f-a3c9-4bc8-9e90-257f66a4bbf6 | mp-772861 | 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 Ba4Sr8I24
_chemical_formula_sum "Ba4 Sr8 I24"
_cell_length_a 8.170479
_cell_length_b 8.170479
_cell_length_c 24.566283
_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 IBa3Sr8I21BaI2
_chemical_formula_sum "I24 Ba4 Sr8"
_cell_length_a 8.170479
_cell_length_b 8.170479
_cell_length_c 24.566283
_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 | 1bf5cb98-ccb4-47bb-af74-eeb07f1a0ab8 | mp-753328 | 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 Li5Mn3Co2O10
_chemical_formula_sum "Li5 Mn3 Co2 O10"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_angle_gamma 99.37397549
_space_grou... | data_image0
_chemical_formula_structural Li2MnLi2Mn2LiCo2O10
_chemical_formula_sum "Li5 Mn3 Co2 O10"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_angle_gamma 99.37397549
_spa... |
SwapAtomsAction | ed05f2b8-3f68-41e7-9974-c9400915b88d | mp-1207972 | 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 U4Ti6Ge8
_chemical_formula_sum "U4 Ti6 Ge8"
_cell_length_a 7.127392
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural U3Ti5UTiGe8
_chemical_formula_sum "U4 Ti6 Ge8"
_cell_length_a 7.127392
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 536af60d-aebf-4d76-8547-d73d434cb49b | mp-650121 | 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 Li12Se6O24
_chemical_formula_sum "Li12 Se6 O24"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_group_nam... | data_image0
_chemical_formula_structural Li2OLi9Se6O3LiO20
_chemical_formula_sum "Li12 O24 Se6"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_gr... |
SwapAtomsAction | 0e35617d-e87d-414c-8a8c-40b059b868df | mp-13602 | Swap the spatial positions of atoms at indices 1 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 CdOCd10As8O23CdO8
_chemical_formula_sum "Cd12 O32 As8"
_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 | 9f304788-a363-4bb7-8acc-8886639ce625 | mp-1223550 | Swap the spatial positions of atoms at indices 5 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KP4N3O16
_chemical_formula_sum "K1 P4 N3 O16"
_cell_length_a 7.898002
_cell_length_b 7.898002
_cell_length_c 7.512958
_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 KP4ON2O14NO
_chemical_formula_sum "K1 P4 O16 N3"
_cell_length_a 7.898002
_cell_length_b 7.898002
_cell_length_c 7.512958
_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 | 41c89c32-6aa4-4ef7-af39-5c0b6f09a9b2 | mp-763659 | 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 Li3V2Fe2O8
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_spac... | data_image0
_chemical_formula_structural Li3OVFe2O2VO5
_chemical_formula_sum "Li3 O8 V2 Fe2"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_s... |
SwapAtomsAction | a9ee7d9f-9048-43f6-beaa-3677c1e14dcb | mp-1044237 | Swap the spatial positions of atoms at indices 29 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Ti2V2P6O24
_chemical_formula_sum "Ca2 Ti2 V2 P6 O24"
_cell_length_a 8.87059187
_cell_length_b 8.87059173
_cell_length_c 8.87059125
_cell_angle_alpha 58.46360295
_cell_angle_beta 58.46360429
_cell_angle_gamma 58.4636058
_space_gr... | data_image0
_chemical_formula_structural Ca2Ti2V2P5O18PO6
_chemical_formula_sum "Ca2 Ti2 V2 P6 O24"
_cell_length_a 8.87059187
_cell_length_b 8.87059173
_cell_length_c 8.87059125
_cell_angle_alpha 58.46360295
_cell_angle_beta 58.46360429
_cell_angle_gamma 58.4636058
_space... |
SwapAtomsAction | e0bfdf1b-df42-477d-8631-c710cd358fe4 | mp-28179 | Swap the spatial positions of atoms at indices 31 and 7 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 Na4Ta3Cl24Ta
_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 ... |
SwapAtomsAction | b7754270-b8a5-4cde-956b-588966ec398c | mp-1235350 | Swap the spatial positions of atoms at indices 19 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4LiSe4O14
_chemical_formula_sum "Rb4 Li1 Se4 O14"
_cell_length_a 7.7815658
_cell_length_b 8.46016297
_cell_length_c 8.069522730000001
_cell_angle_alpha 93.73619673
_cell_angle_beta 86.21764356
_cell_angle_gamma 60.13418853999999
... | data_image0
_chemical_formula_structural ORb3LiSe4O10RbO3
_chemical_formula_sum "O14 Rb4 Li1 Se4"
_cell_length_a 7.7815658
_cell_length_b 8.46016297
_cell_length_c 8.069522730000001
_cell_angle_alpha 93.73619673
_cell_angle_beta 86.21764356
_cell_angle_gamma 60.13418853999... |
SwapAtomsAction | 82e84332-9409-4630-8f57-4a26118130f2 | mp-1228441 | 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 Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba4HgBa2Hg9BaHg21
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name... |
SwapAtomsAction | cb4f0447-766a-4f43-be16-c9f377e8e696 | mp-1214242 | Swap the spatial positions of atoms at indices 44 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be6Ag8P6Br2O24
_chemical_formula_sum "Be6 Ag8 P6 Br2 O24"
_cell_length_a 8.63032
_cell_length_b 8.63032
_cell_length_c 8.63032
_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 Be6AgOAg6P6Br2O22AgO
_chemical_formula_sum "Be6 Ag8 O24 P6 Br2"
_cell_length_a 8.63032
_cell_length_b 8.63032
_cell_length_c 8.63032
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | e18bfc58-902f-43f0-8b25-8d7aa1ced082 | mp-1047887 | 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 Mg2Co6P6O26
_chemical_formula_sum "Mg2 Co6 P6 O26"
_cell_length_a 6.28561
_cell_length_b 7.520573
_cell_length_c 10.0473253
_cell_angle_alpha 79.61009721
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Mg2PCo5P5CoO26
_chemical_formula_sum "Mg2 P6 Co6 O26"
_cell_length_a 6.28561
_cell_length_b 7.520573
_cell_length_c 10.0473253
_cell_angle_alpha 79.61009721
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 8a21f83e-5023-4ac3-8d20-20c534b80512 | mp-1113640 | Swap the spatial positions of atoms at indices 0 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2SmAuCl6
_chemical_formula_sum "Rb2 Sm1 Au1 Cl6"
_cell_length_a 7.70197677
_cell_length_b 7.701976770000001
_cell_length_c 7.701976769999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural SmRb2AuCl6
_chemical_formula_sum "Sm1 Rb2 Au1 Cl6"
_cell_length_a 7.70197677
_cell_length_b 7.701976770000001
_cell_length_c 7.701976769999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
SwapAtomsAction | 7a553a8b-6588-4810-8893-0e8b3d778b2a | mp-780727 | 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 Li4V3Cr2O10
_chemical_formula_sum "Li4 V3 Cr2 O10"
_cell_length_a 5.130637
_cell_length_b 5.15615823
_cell_length_c 7.84703594
_cell_angle_alpha 72.12691452000001
_cell_angle_beta 72.12246838
_cell_angle_gamma 79.78850535
_space_gr... | data_image0
_chemical_formula_structural CrLi3V3LiCrO10
_chemical_formula_sum "Cr2 Li4 V3 O10"
_cell_length_a 5.130637
_cell_length_b 5.15615823
_cell_length_c 7.84703594
_cell_angle_alpha 72.12691452000001
_cell_angle_beta 72.12246838
_cell_angle_gamma 79.78850535
_space... |
SwapAtomsAction | 89d59fe5-960f-4857-8f3b-af13b79f9b3a | mp-1207697 | 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 Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... | data_image0
_chemical_formula_structural Zr2FCuF5Zr
_chemical_formula_sum "Zr3 F6 Cu1"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_nam... |
SwapAtomsAction | e62b09f0-499b-45d5-9509-be6c266e6217 | mp-1176342 | Swap the spatial positions of atoms at indices 18 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na6V6O16
_chemical_formula_sum "Na6 V6 O16"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na6V4OVO6VO9
_chemical_formula_sum "Na6 V6 O16"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_name_... |
SwapAtomsAction | 75441f89-619d-4579-8cf4-ca99f4d54ce2 | mp-561176 | Swap the spatial positions of atoms at indices 60 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb8P4O4F52
_chemical_formula_sum "Sb8 P4 O4 F52"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb8PFP2O4F44PF7
_chemical_formula_sum "Sb8 P4 F52 O4"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SwapAtomsAction | 4f0364ec-2b93-4609-9b2a-66eeec2477bb | mp-28802 | Swap the spatial positions of atoms at indices 2 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Zn3F14
_chemical_formula_sum "Sr4 Zn3 F14"
_cell_length_a 6.75415152
_cell_length_b 6.75415767
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma 119.99806076000002
_space_grou... | data_image0
_chemical_formula_structural Sr2ZnSrZn2SrF14
_chemical_formula_sum "Sr4 Zn3 F14"
_cell_length_a 6.75415152
_cell_length_b 6.75415767
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma 119.99806076000002
_spac... |
SwapAtomsAction | 4d772763-1c7f-4973-9197-bfc1f847e8c5 | mp-754011 | 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 Li2Bi6O12
_chemical_formula_sum "Li2 Bi6 O12"
_cell_length_a 6.72808738
_cell_length_b 6.728087380000001
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.14724735999998
_cell_angle_gamma 93.14... | data_image0
_chemical_formula_structural Li2Bi2OBi4O11
_chemical_formula_sum "Li2 Bi6 O12"
_cell_length_a 6.72808738
_cell_length_b 6.728087380000001
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.14724735999998
_cell_angle_gamma 9... |
SwapAtomsAction | 0a2067a1-bcdd-42a6-adf0-523e8384fb42 | mp-1227935 | Swap the spatial positions of atoms at indices 27 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca20Si3Ge9O44
_chemical_formula_sum "Ca20 Si3 Ge9 O44"
_cell_length_a 7.01949952
_cell_length_b 13.62135502
_cell_length_c 12.53445101
_cell_angle_alpha 64.77673551
_cell_angle_beta 92.28420985000001
_cell_angle_gamma 79.31438136
_... | data_image0
_chemical_formula_structural Ca20SiGeSiGe4SiGe4O44
_chemical_formula_sum "Ca20 Si3 Ge9 O44"
_cell_length_a 7.01949952
_cell_length_b 13.62135502
_cell_length_c 12.53445101
_cell_angle_alpha 64.77673551
_cell_angle_beta 92.28420985000001
_cell_angle_gamma 79.314... |
SwapAtomsAction | 49acfff2-6a8c-4c21-ade5-b6ce639434e9 | mp-767140 | Swap the spatial positions of atoms at indices 7 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn8P8O28
_chemical_formula_sum "Sn8 P8 O28"
_cell_length_a 6.986132
_cell_length_b 7.04389705
_cell_length_c 13.017652370000002
_cell_angle_alpha 83.33325966
_cell_angle_beta 89.96986367
_cell_angle_gamma 89.99300467
_space_group_n... | data_image0
_chemical_formula_structural Sn7OP8O3SnO24
_chemical_formula_sum "Sn8 O28 P8"
_cell_length_a 6.986132
_cell_length_b 7.04389705
_cell_length_c 13.017652370000002
_cell_angle_alpha 83.33325966
_cell_angle_beta 89.96986367
_cell_angle_gamma 89.99300467
_space_gr... |
SwapAtomsAction | 305d6223-5a9b-49fe-ba04-e2d8f5d3eb5c | mp-753160 | 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 Bi4O4F4
_chemical_formula_sum "Bi4 O4 F4"
_cell_length_a 3.791646
_cell_length_b 6.376568
_cell_length_c 7.388758
_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 Bi4FO3F3O
_chemical_formula_sum "Bi4 F4 O4"
_cell_length_a 3.791646
_cell_length_b 6.376568
_cell_length_c 7.388758
_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... |
SwapAtomsAction | c68c090c-37a0-4f86-aa27-4bcbdc940d1d | mp-1212060 | Swap the spatial positions of atoms at indices 4 and 33 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In4Pb8F28
_chemical_formula_sum "In4 Pb8 F28"
_cell_length_a 12.44457357
_cell_length_b 5.59001845
_cell_length_c 8.4130136
_cell_angle_alpha 89.64555741
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural In4FPb7F21PbF6
_chemical_formula_sum "In4 F28 Pb8"
_cell_length_a 12.44457357
_cell_length_b 5.59001845
_cell_length_c 8.4130136
_cell_angle_alpha 89.64555741
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 190fae7d-61e5-4a24-a4ae-1eacac21b07a | mp-729907 | Swap the spatial positions of atoms at indices 59 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NiH48C16S8N2O14
_chemical_formula_sum "Ni1 H48 C16 S8 N2 O14"
_cell_length_a 9.869812
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_angle_beta 109.69344817
_cell_angle_gamma ... | data_image0
_chemical_formula_structural NiH17CH30C10HC5S8N2O14
_chemical_formula_sum "Ni1 H48 C16 S8 N2 O14"
_cell_length_a 9.869812
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_angle_beta 109.69344817
_cell_angle_ga... |
SwapAtomsAction | b3094b8d-0e58-4a25-a7d3-69434a20d534 | mp-1208177 | 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 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 U2CoU5CoU
_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 | 6a679072-a8e2-4d08-bd70-ff904fdd6442 | mp-1213447 | Swap the spatial positions of atoms at indices 42 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural KBaNaCaTi4Fe7OSi8O18FeO19F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe8 O38 Si8 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma ... |
SwapAtomsAction | 53163bea-d39a-4524-957c-8eb1a073f87b | mp-1173638 | 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 Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... | data_image0
_chemical_formula_structural Sr5RuSr4CuRu3SrO20
_chemical_formula_sum "Sr10 Ru4 Cu1 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma... |
SwapAtomsAction | aa5de6fe-56d6-4d70-820b-5eddfa7cd701 | mp-1192446 | Swap the spatial positions of atoms at indices 23 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pb4Se2N4O18
_chemical_formula_sum "Pb4 Se2 N4 O18"
_cell_length_a 5.48916173
_cell_length_b 7.2929014
_cell_length_c 10.31421434
_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 Pb3OSe2N4O13PbO4
_chemical_formula_sum "Pb4 O18 Se2 N4"
_cell_length_a 5.48916173
_cell_length_b 7.2929014
_cell_length_c 10.31421434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 7470fe54-82f2-4c1d-9427-703c74a28911 | mp-1200874 | Swap the spatial positions of atoms at indices 30 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce16Mg8Ni16
_chemical_formula_sum "Ce16 Mg8 Ni16"
_cell_length_a 7.569322
_cell_length_b 10.421412
_cell_length_c 10.424190230000002
_cell_angle_alpha 87.24409627999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ce4NiCe11Mg8Ni6CeNi9
_chemical_formula_sum "Ce16 Ni16 Mg8"
_cell_length_a 7.569322
_cell_length_b 10.421412
_cell_length_c 10.424190230000002
_cell_angle_alpha 87.24409627999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
SwapAtomsAction | 63d628da-d28c-42e4-9542-0477bb637756 | mp-1080534 | Swap the spatial positions of atoms at indices 5 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2Li3I5
_chemical_formula_sum "Cs2 Li3 I5"
_cell_length_a 4.71841827
_cell_length_b 8.73774837
_cell_length_c 10.83985247
_cell_angle_alpha 67.29995139
_cell_angle_beta 77.41023237
_cell_angle_gamma 74.39038752
_space_group_name_H... | data_image0
_chemical_formula_structural Cs2LiILi2I4
_chemical_formula_sum "Cs2 Li3 I5"
_cell_length_a 4.71841827
_cell_length_b 8.73774837
_cell_length_c 10.83985247
_cell_angle_alpha 67.29995139
_cell_angle_beta 77.41023237
_cell_angle_gamma 74.39038752
_space_group_nam... |
SwapAtomsAction | 7a8e05bb-65a6-4afb-b4b6-7e4c4fc0abab | mp-1211020 | Swap the spatial positions of atoms at indices 48 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Ga4P16O48
_chemical_formula_sum "Li4 Ga4 P16 O48"
_cell_length_a 8.383566
_cell_length_b 9.205698
_cell_length_c 12.690747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Li4Ga4P9OP6O24PO23
_chemical_formula_sum "Li4 Ga4 P16 O48"
_cell_length_a 8.383566
_cell_length_b 9.205698
_cell_length_c 12.690747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | cbc1a984-706e-4446-a695-589bc5d69fc4 | mp-1204112 | Swap the spatial positions of atoms at indices 32 and 39 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12N10ClNCl5NCl6
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SwapAtomsAction | 36774ae9-d82e-4e4d-9b37-7474c6fa9478 | mp-1177498 | Swap the spatial positions of atoms at indices 48 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6V4P8H4O32
_chemical_formula_sum "Li6 V4 P8 H4 O32"
_cell_length_a 9.45768122
_cell_length_b 9.39833587
_cell_length_c 7.90360836
_cell_angle_alpha 78.64358395
_cell_angle_beta 78.66118834
_cell_angle_gamma 117.71818503999998
_sp... | data_image0
_chemical_formula_structural Li6V4P2OP5H4O26PO5
_chemical_formula_sum "Li6 V4 P8 O32 H4"
_cell_length_a 9.45768122
_cell_length_b 9.39833587
_cell_length_c 7.90360836
_cell_angle_alpha 78.64358395
_cell_angle_beta 78.66118834
_cell_angle_gamma 117.7181850399999... |
SwapAtomsAction | 5c06f238-e49c-4347-afc2-34ebfff39383 | mp-769928 | 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 Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... | data_image0
_chemical_formula_structural LiOLi2NbV3O5LiO2
_chemical_formula_sum "Li4 O8 Nb1 V3"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.04... |
SwapAtomsAction | d854a0fe-f21b-47a7-8b80-4fa5de4e8276 | mp-1192578 | 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 K2Ca4USi4O16
_chemical_formula_sum "K2 Ca4 U1 Si4 O16"
_cell_length_a 6.722305
_cell_length_b 6.76571075
_cell_length_c 9.81058051
_cell_angle_alpha 98.67428088999999
_cell_angle_beta 93.17407982
_cell_angle_gamma 112.43482087999999... | data_image0
_chemical_formula_structural K2Ca4USiOSi2O8SiO7
_chemical_formula_sum "K2 Ca4 U1 Si4 O16"
_cell_length_a 6.722305
_cell_length_b 6.76571075
_cell_length_c 9.81058051
_cell_angle_alpha 98.67428088999999
_cell_angle_beta 93.17407982
_cell_angle_gamma 112.43482087... |
SwapAtomsAction | bc5ff2f2-94c9-4da7-bc6c-5940939cdd45 | mp-1029771 | Swap the spatial positions of atoms at indices 5 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca5ReCa2Re3CaN12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.5252342600000... |
SwapAtomsAction | 67e43efa-798d-4502-a094-f68b3d35cdf4 | mp-765581 | 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 Mn8Cr4O16
_chemical_formula_sum "Mn8 Cr4 O16"
_cell_length_a 5.93782624
_cell_length_b 5.96423125
_cell_length_c 10.364558189999999
_cell_angle_alpha 75.44831521
_cell_angle_beta 74.33033313
_cell_angle_gamma 61.358565629999994
_sp... | data_image0
_chemical_formula_structural Mn2OMn5Cr4O14MnO
_chemical_formula_sum "Mn8 O16 Cr4"
_cell_length_a 5.93782624
_cell_length_b 5.96423125
_cell_length_c 10.364558189999999
_cell_angle_alpha 75.44831521
_cell_angle_beta 74.33033313
_cell_angle_gamma 61.3585656299999... |
SwapAtomsAction | 735dea25-e4fa-4674-8697-b1704a3ecc28 | mp-531566 | Swap the spatial positions of atoms at indices 42 and 20 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 La16Mn4OMn9O12MnO35
_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... |
SwapAtomsAction | d5b17432-37ce-48d9-8a04-5517c53a9140 | mp-1198143 | Swap the spatial positions of atoms at indices 27 and 52 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4B8H40O4
_chemical_formula_sum "Ca4 B8 H40 O4"
_cell_length_a 6.01929
_cell_length_b 8.052479
_cell_length_c 11.659561
_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 Ca4B8H15OH25O3
_chemical_formula_sum "Ca4 B8 H40 O4"
_cell_length_a 6.01929
_cell_length_b 8.052479
_cell_length_c 11.659561
_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 | 06416e33-ddac-41e2-a7c1-bdbc2354ef42 | mp-24473 | Swap the spatial positions of atoms at indices 41 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Be4POP2H16N4O13PO2
_chemical_formula_sum "Be4 P4 O16 H16 N4"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | 467cf993-1c13-4f13-b68f-fa6f770213ce | mp-1079383 | 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 Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 CeInCe3InCu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 | 18ac1c25-ab10-4c4a-b25d-a35310c6d436 | mp-763831 | Swap the spatial positions of atoms at indices 22 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li16Mn2O8F4
_chemical_formula_sum "Li16 Mn2 O8 F4"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li16Mn2O4FO4F3
_chemical_formula_sum "Li16 Mn2 O8 F4"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_name_H... |
SwapAtomsAction | 1f0de802-e374-4e58-9f7b-2046132cb54b | mp-1177049 | Swap the spatial positions of atoms at indices 35 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Co3NiP6O24
_chemical_formula_sum "Li6 Co3 Ni1 P6 O24"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_space_gr... | data_image0
_chemical_formula_structural Li6Co3NiPOP4O19PO4
_chemical_formula_sum "Li6 Co3 Ni1 P6 O24"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_spa... |
SwapAtomsAction | 5cb909c3-0f1b-4d21-857b-53b4eaa0b383 | mp-8829 | 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 Cr4Ga4Se12
_chemical_formula_sum "Cr4 Ga4 Se12"
_cell_length_a 3.76641143
_cell_length_b 10.26003063
_cell_length_c 12.49218408
_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 GaCr4Ga3Se12
_chemical_formula_sum "Ga4 Cr4 Se12"
_cell_length_a 3.76641143
_cell_length_b 10.26003063
_cell_length_c 12.49218408
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 532ea300-8a84-4d50-b97d-0f18d876d503 | mp-1227095 | 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 Ca2Pd2F8
_chemical_formula_sum "Ca2 Pd2 F8"
_cell_length_a 5.531275
_cell_length_b 5.521787
_cell_length_c 5.5594698
_cell_angle_alpha 87.76431318999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural FCaPd2F3CaF4
_chemical_formula_sum "F8 Ca2 Pd2"
_cell_length_a 5.531275
_cell_length_b 5.521787
_cell_length_c 5.5594698
_cell_angle_alpha 87.76431318999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 20bf3564-91eb-4073-935b-b94a19583ee9 | mp-1212808 | Swap the spatial positions of atoms at indices 9 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy8Rh2
_chemical_formula_sum "Dy8 Rh2"
_cell_length_a 7.58914232
_cell_length_b 7.5891423200000006
_cell_length_c 7.589142319999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural DyRhDy6RhDy
_chemical_formula_sum "Dy8 Rh2"
_cell_length_a 7.58914232
_cell_length_b 7.5891423200000006
_cell_length_c 7.589142319999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... |
SwapAtomsAction | 3c0b437e-d2d9-4895-9a62-683da38c5a9f | mp-557871 | Swap the spatial positions of atoms at indices 5 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu2As2Pb2O8
_chemical_formula_sum "Cu2 As2 Pb2 O8"
_cell_length_a 4.940538
_cell_length_b 5.93944518
_cell_length_c 8.11102464
_cell_angle_alpha 78.38046383999999
_cell_angle_beta 75.35588946
_cell_angle_gamma 84.33663671
_space_gr... | data_image0
_chemical_formula_structural Cu2As2PbOPbO7
_chemical_formula_sum "Cu2 As2 Pb2 O8"
_cell_length_a 4.940538
_cell_length_b 5.93944518
_cell_length_c 8.11102464
_cell_angle_alpha 78.38046383999999
_cell_angle_beta 75.35588946
_cell_angle_gamma 84.33663671
_space_... |
SwapAtomsAction | 0f1ed829-3e83-4461-b1cf-d864cf2667d1 | mp-849277 | Swap the spatial positions of atoms at indices 21 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Cu2P6H4O20
_chemical_formula_sum "Li4 Cu2 P6 H4 O20"
_cell_length_a 7.32518
_cell_length_b 7.64629812
_cell_length_c 8.23532196
_cell_angle_alpha 71.38916824999998
_cell_angle_beta 73.79031742000001
_cell_angle_gamma 71.49767689
... | data_image0
_chemical_formula_structural Li4OCuP6H4O5CuO14
_chemical_formula_sum "Li4 O20 Cu2 P6 H4"
_cell_length_a 7.32518
_cell_length_b 7.64629812
_cell_length_c 8.23532196
_cell_angle_alpha 71.38916824999998
_cell_angle_beta 73.79031742000001
_cell_angle_gamma 71.49767... |
SwapAtomsAction | f03badd9-8443-414a-b674-32e063418a7f | mp-1208371 | Swap the spatial positions of atoms at indices 34 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 Tl4N6ONCl20O2NO
_chemical_formula_sum "Tl4 N8 O4 Cl20"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | 7fb666f4-5480-43de-82e1-9eb8451a9440 | mp-758720 | 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 Li5CuF6
_chemical_formula_sum "Li5 Cu1 F6"
_cell_length_a 5.13729529
_cell_length_b 5.13729529
_cell_length_c 5.14646913
_cell_angle_alpha 79.89385741999999
_cell_angle_beta 79.89385741999999
_cell_angle_gamma 119.62825862999999
_s... | data_image0
_chemical_formula_structural FLi4CuF5Li
_chemical_formula_sum "F6 Li5 Cu1"
_cell_length_a 5.13729529
_cell_length_b 5.13729529
_cell_length_c 5.14646913
_cell_angle_alpha 79.89385741999999
_cell_angle_beta 79.89385741999999
_cell_angle_gamma 119.62825862999999
... |
SwapAtomsAction | 25e81c77-bb94-4758-b55a-c92c4bbc7c76 | mp-1193386 | Swap the spatial positions of atoms at indices 7 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Cr4Fe2O20
_chemical_formula_sum "Na2 Cr4 Fe2 O20"
_cell_length_a 7.64650728
_cell_length_b 7.646507280000001
_cell_length_c 10.72818916
_cell_angle_alpha 72.14267351
_cell_angle_beta 72.14267351
_cell_angle_gamma 42.55578317
_sp... | data_image0
_chemical_formula_structural Na2Cr4FeO16FeO4
_chemical_formula_sum "Na2 Cr4 Fe2 O20"
_cell_length_a 7.64650728
_cell_length_b 7.646507280000001
_cell_length_c 10.72818916
_cell_angle_alpha 72.14267351
_cell_angle_beta 72.14267351
_cell_angle_gamma 42.55578317
... |
SwapAtomsAction | e2757909-8946-4240-a2a8-0669578bab1b | mp-1223717 | Swap the spatial positions of atoms at indices 33 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... | data_image0
_chemical_formula_structural KOAl6Si6H4O15KO8
_chemical_formula_sum "K2 O24 Al6 Si6 H4"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8... |
SwapAtomsAction | d287e0ca-6af6-4060-8628-4e26e3cbbb2a | mp-754373 | Swap the spatial positions of atoms at indices 0 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Fe4O12
_chemical_formula_sum "Na8 Fe4 O12"
_cell_length_a 5.55700601
_cell_length_b 6.13466597
_cell_length_c 11.146433
_cell_angle_alpha 90.00189661
_cell_angle_beta 90.00002052999999
_cell_angle_gamma 116.93787587
_space_group... | data_image0
_chemical_formula_structural ONa7Fe4O6NaO5
_chemical_formula_sum "O12 Na8 Fe4"
_cell_length_a 5.55700601
_cell_length_b 6.13466597
_cell_length_c 11.146433
_cell_angle_alpha 90.00189661
_cell_angle_beta 90.00002052999999
_cell_angle_gamma 116.93787587
_space_g... |
SwapAtomsAction | e08d32ce-a400-4582-9bcb-c58db00d5a4f | mp-1046426 | 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 Sr2V2Zn2P4O16
_chemical_formula_sum "Sr2 V2 Zn2 P4 O16"
_cell_length_a 5.53321927
_cell_length_b 7.043239259999999
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr2V2PZnPZnP2O16
_chemical_formula_sum "Sr2 V2 P4 Zn2 O16"
_cell_length_a 5.53321927
_cell_length_b 7.043239259999999
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933
_cell_angle_gamma... |
SwapAtomsAction | 0dfda424-dcc3-4f0b-a3ca-8788764d712e | mp-27271 | Swap the spatial positions of atoms at indices 31 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl16Ge10O28
_chemical_formula_sum "Tl16 Ge10 O28"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma 38.3... | data_image0
_chemical_formula_structural Tl5OTl10Ge10O5TlO22
_chemical_formula_sum "Tl16 O28 Ge10"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma... |
SwapAtomsAction | 349276fa-20be-4271-8396-a6cb4100046b | mp-762830 | Swap the spatial positions of atoms at indices 15 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn2Nb3V3O16
_chemical_formula_sum "Li4 Mn2 Nb3 V3 O16"
_cell_length_a 6.10565883
_cell_length_b 6.10565883
_cell_length_c 10.070974429999998
_cell_angle_alpha 89.93972260999999
_cell_angle_beta 89.93972260999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Li4Mn2NbONbV3O3NbO12
_chemical_formula_sum "Li4 Mn2 Nb3 O16 V3"
_cell_length_a 6.10565883
_cell_length_b 6.10565883
_cell_length_c 10.070974429999998
_cell_angle_alpha 89.93972260999999
_cell_angle_beta 89.93972260999999
_cell_angle_ga... |
SwapAtomsAction | e4465729-dc13-4141-a81a-b1471f433901 | mp-1188770 | Swap the spatial positions of atoms at indices 11 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er12Co4
_chemical_formula_sum "Er12 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural Er11CoErCo3
_chemical_formula_sum "Er12 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_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... |
SwapAtomsAction | 7b18b364-a34f-4f0d-bd39-4ab908848ec5 | mp-1197150 | Swap the spatial positions of atoms at indices 28 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Pr16Ge16
_chemical_formula_sum "Li4 Pr16 Ge16"
_cell_length_a 7.50027
_cell_length_b 8.07524
_cell_length_c 15.348187
_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 GeLi3Pr16Ge8LiGe7
_chemical_formula_sum "Ge16 Li4 Pr16"
_cell_length_a 7.50027
_cell_length_b 8.07524
_cell_length_c 15.348187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | ce0f7ed0-b1c8-40ea-aaf2-076461819b9f | mp-1078203 | 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 Cs2Tl2F6
_chemical_formula_sum "Cs2 Tl2 F6"
_cell_length_a 6.759903
_cell_length_b 6.759903
_cell_length_c 6.759903
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_g... | data_image0
_chemical_formula_structural FCsTl2FCsF4
_chemical_formula_sum "F6 Cs2 Tl2"
_cell_length_a 6.759903
_cell_length_b 6.759903
_cell_length_c 6.759903
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... |
SwapAtomsAction | 5fdad47f-307b-4b44-9177-31c71627a904 | mp-28092 | Swap the spatial positions of atoms at indices 38 and 84 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B38HBH44BH7O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group... |
SwapAtomsAction | 27d4df67-e83b-4d69-a39f-52d57bf8681b | mp-1192809 | Swap the spatial positions of atoms at indices 9 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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 Ag4N5ON6O10NO
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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 | de0b1eba-7a33-4d88-bc4d-06a29246d880 | mp-651997 | Swap the spatial positions of atoms at indices 17 and 25 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe12Ge8O32
_chemical_formula_sum "Fe12 Ge8 O32"
_cell_length_a 8.471589
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Fe12Ge5OGe2O5GeO26
_chemical_formula_sum "Fe12 Ge8 O32"
_cell_length_a 8.471589
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SwapAtomsAction | a2b4d82a-719f-42af-9550-838e935af034 | mp-1207697 | 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 Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... | data_image0
_chemical_formula_structural FZr2CuF4ZrF
_chemical_formula_sum "F6 Zr3 Cu1"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_na... |
SwapAtomsAction | 00948b3c-7195-4a88-93f7-baa914bfb8e3 | mp-758762 | Swap the spatial positions of atoms at indices 6 and 41 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe4P8O28
_chemical_formula_sum "Li4 Fe4 P8 O28"
_cell_length_a 8.064649
_cell_length_b 4.948896
_cell_length_c 14.20387287
_cell_angle_alpha 79.33603324
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Fe2OFeP8O25FeO2
_chemical_formula_sum "Li4 Fe4 O28 P8"
_cell_length_a 8.064649
_cell_length_b 4.948896
_cell_length_c 14.20387287
_cell_angle_alpha 79.33603324
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SwapAtomsAction | 813ebf4d-f2c3-4280-9416-bd3ac5ca1aca | mp-1236434 | Swap the spatial positions of atoms at indices 15 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.837192... | data_image0
_chemical_formula_structural Sr4LiMn2CuOCuS4OCuO2
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 O4 S4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.8... |
SwapAtomsAction | 2f21c684-bcf2-4964-b811-cd71e57d7561 | mp-1206879 | 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 K3AuF6
_chemical_formula_sum "K3 Au1 F6"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gro... | data_image0
_chemical_formula_structural FK2AuKF5
_chemical_formula_sum "F6 K3 Au1"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_g... |
SwapAtomsAction | 589cafe1-a15b-4584-967b-27b9b6af6db5 | mp-1194493 | Swap the spatial positions of atoms at indices 1 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pt2S4N2O18
_chemical_formula_sum "Pt2 S4 N2 O18"
_cell_length_a 7.662609
_cell_length_b 7.73074764
_cell_length_c 7.821315860000001
_cell_angle_alpha 102.54818267
_cell_angle_beta 110.26241689
_cell_angle_gamma 100.5395611
_space_g... | data_image0
_chemical_formula_structural PtOS4N2O4PtO13
_chemical_formula_sum "Pt2 O18 S4 N2"
_cell_length_a 7.662609
_cell_length_b 7.73074764
_cell_length_c 7.821315860000001
_cell_angle_alpha 102.54818267
_cell_angle_beta 110.26241689
_cell_angle_gamma 100.5395611
_spa... |
SwapAtomsAction | 4450b015-024d-49b4-b302-f37141a4b400 | mp-729187 | Swap the spatial positions of atoms at indices 7 and 91 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn8C16N64O4
_chemical_formula_sum "Zn8 C16 N64 O4"
_cell_length_a 7.115686
_cell_length_b 11.577172
_cell_length_c 22.51136357
_cell_angle_alpha 82.36418529
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zn7OC16N64O3Zn
_chemical_formula_sum "Zn8 O4 C16 N64"
_cell_length_a 7.115686
_cell_length_b 11.577172
_cell_length_c 22.51136357
_cell_angle_alpha 82.36418529
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | ad9316d8-0313-4f04-a7b6-971aa38ca904 | mp-3346792 | Swap the spatial positions of atoms at indices 6 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H6C6N6O6
_chemical_formula_sum "H6 C6 N6 O6"
_cell_length_a 5.1337402
_cell_length_b 5.1337402
_cell_length_c 9.01189114
_cell_angle_alpha 89.56212464
_cell_angle_beta 89.56212464
_cell_angle_gamma 81.86642870999998
_space_group_na... | data_image0
_chemical_formula_structural H6NC5N2CN3O6
_chemical_formula_sum "H6 N6 C6 O6"
_cell_length_a 5.1337402
_cell_length_b 5.1337402
_cell_length_c 9.01189114
_cell_angle_alpha 89.56212464
_cell_angle_beta 89.56212464
_cell_angle_gamma 81.86642870999998
_space_grou... |
SwapAtomsAction | e9cc9ef0-be2a-4d96-9b3d-39ba2f8f23ae | mp-1336298 | Swap the spatial positions of atoms at indices 32 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... | data_image0
_chemical_formula_structural Al8Hg8SeHg11Se4HgSe27
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_spac... |
SwapAtomsAction | f094a9b9-ae33-4b03-9829-1b869915501e | mp-1310084 | 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 Co4O2F6
_chemical_formula_sum "Co4 O2 F6"
_cell_length_a 4.71264131
_cell_length_b 4.71287246
_cell_length_c 6.20358889
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22177824999999
_space_gro... | data_image0
_chemical_formula_structural Co3FO2F2CoF3
_chemical_formula_sum "Co4 F6 O2"
_cell_length_a 4.71264131
_cell_length_b 4.71287246
_cell_length_c 6.20358889
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22177824999999
_spac... |
SwapAtomsAction | 8c2747de-4769-4fae-b910-fdd6de531879 | mp-1076076 | Swap the spatial positions of atoms at indices 6 and 32 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La7SmCo6Cu2O24
_chemical_formula_sum "La7 Sm1 Co6 Cu2 O24"
_cell_length_a 7.68449601
_cell_length_b 7.68449601
_cell_length_c 7.63078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.10407332999999
_space_group_nam... | data_image0
_chemical_formula_structural La6OSmCo6Cu2O16LaO7
_chemical_formula_sum "La7 O24 Sm1 Co6 Cu2"
_cell_length_a 7.68449601
_cell_length_b 7.68449601
_cell_length_c 7.63078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.10407332999999
_space_grou... |
SwapAtomsAction | a60d9712-4ca2-4e28-8791-a701da50b3df | mp-690607 | Swap the spatial positions of atoms at indices 0 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2BaNiN6O12
_chemical_formula_sum "K2 Ba1 Ni1 N6 O12"
_cell_length_a 7.624416
_cell_length_b 7.81024273
_cell_length_c 7.92741595
_cell_angle_alpha 94.21306912
_cell_angle_beta 116.71285930999998
_cell_angle_gamma 117.35471982000001... | data_image0
_chemical_formula_structural OKBaNiN6O9KO2
_chemical_formula_sum "O12 K2 Ba1 Ni1 N6"
_cell_length_a 7.624416
_cell_length_b 7.81024273
_cell_length_c 7.92741595
_cell_angle_alpha 94.21306912
_cell_angle_beta 116.71285930999998
_cell_angle_gamma 117.354719820000... |
SwapAtomsAction | 3556d0fd-4cca-49d4-a50c-387ddb409c5a | mp-1111315 | 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 Na2TiAgF6
_chemical_formula_sum "Na2 Ti1 Ag1 F6"
_cell_length_a 6.15806568
_cell_length_b 6.158065680000001
_cell_length_c 6.158065680000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural TiNa2AgF6
_chemical_formula_sum "Ti1 Na2 Ag1 F6"
_cell_length_a 6.15806568
_cell_length_b 6.158065680000001
_cell_length_c 6.158065680000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60... |
SwapAtomsAction | e4e37d41-1f85-48b1-a916-42deb0e9f242 | mp-559270 | Swap the spatial positions of atoms at indices 16 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2Ba8Sb6O2
_chemical_formula_sum "Rb2 Ba8 Sb6 O2"
_cell_length_a 10.55673321
_cell_length_b 10.55673321
_cell_length_c 10.55673321
_cell_angle_alpha 129.12287568
_cell_angle_beta 129.12287568
_cell_angle_gamma 74.81294182
_space_g... | data_image0
_chemical_formula_structural Rb2Ba8Sb5OSbO
_chemical_formula_sum "Rb2 Ba8 Sb6 O2"
_cell_length_a 10.55673321
_cell_length_b 10.55673321
_cell_length_c 10.55673321
_cell_angle_alpha 129.12287568
_cell_angle_beta 129.12287568
_cell_angle_gamma 74.81294182
_space... |
SwapAtomsAction | 5b727c84-de6a-4f5e-9077-b1bdcfa66aab | mp-541574 | Swap the spatial positions of atoms at indices 5 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Y8Co4O20
_chemical_formula_sum "Ba4 Y8 Co4 O20"
_cell_length_a 5.770025
_cell_length_b 7.158529
_cell_length_c 12.39054
_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 Ba4YCoY6Co3YO20
_chemical_formula_sum "Ba4 Y8 Co4 O20"
_cell_length_a 5.770025
_cell_length_b 7.158529
_cell_length_c 12.39054
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | dee9d904-0836-40d0-877a-7cb1c635cd71 | mp-1336298 | 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 Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... | data_image0
_chemical_formula_structural HgAl7Hg14AlHg5Se32
_chemical_formula_sum "Hg20 Al8 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_g... |
SwapAtomsAction | 083357a5-90b3-46b1-9311-a06c14f73eb0 | mp-1103066 | Swap the spatial positions of atoms at indices 10 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4Si4Pd4
_chemical_formula_sum "Sm4 Si4 Pd4"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_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 Sm4PdSi3Pd2SiPd
_chemical_formula_sum "Sm4 Pd4 Si4"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_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 | 9433245a-e977-4549-b11f-5504cac7d77e | mp-1205450 | Swap the spatial positions of atoms at indices 10 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pu8Se12
_chemical_formula_sum "Pu8 Se12"
_cell_length_a 11.30759145
_cell_length_b 4.10033936
_cell_length_c 11.20312826
_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 SePu7Se2PuSe9
_chemical_formula_sum "Se12 Pu8"
_cell_length_a 11.30759145
_cell_length_b 4.10033936
_cell_length_c 11.20312826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | 37445a94-2836-4cf4-ac8a-216069e7105c | mp-1197288 | Swap the spatial positions of atoms at indices 31 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Se12O36
_chemical_formula_sum "Cs4 Se12 O36"
_cell_length_a 9.705962
_cell_length_b 9.98203783
_cell_length_c 11.2997381
_cell_angle_alpha 106.6332928
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cs4Se5OSe6O15SeO20
_chemical_formula_sum "Cs4 Se12 O36"
_cell_length_a 9.705962
_cell_length_b 9.98203783
_cell_length_c 11.2997381
_cell_angle_alpha 106.6332928
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | 26cc8f92-1829-4602-954f-42f5aaa81a43 | mp-23977 | Swap the spatial positions of atoms at indices 32 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H4S28N4
_chemical_formula_sum "H4 S28 N4"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural H3NS28HN3
_chemical_formula_sum "H4 N4 S28"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_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_... |
SwapAtomsAction | 4e056e0e-4664-4b72-9360-e226c5276442 | mp-1204342 | Swap the spatial positions of atoms at indices 20 and 47 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Ca8B12OH15Cl4O7HO24
_chemical_formula_sum "Ca8 B12 O32 H16 Cl4"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
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