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 | b0489428-ce22-48bf-94c2-a99bab70bc5a | mp-1106104 | 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 Al2I6N10
_chemical_formula_sum "Al2 I6 N10"
_cell_length_a 7.5444443
_cell_length_b 7.5444443
_cell_length_c 7.84713676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 125.33569956
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al2NI6N9
_chemical_formula_sum "Al2 N10 I6"
_cell_length_a 7.5444443
_cell_length_b 7.5444443
_cell_length_c 7.84713676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 125.33569956
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 159770fc-4466-4688-a99c-34a59429ef28 | mp-1203797 | Swap the spatial positions of atoms at indices 0 and 73 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd26B8O52
_chemical_formula_sum "Nd26 B8 O52"
_cell_length_a 12.775934
_cell_length_b 6.799471
_cell_length_c 14.426337179999999
_cell_angle_alpha 80.3467461
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural ONd25B8O39NdO12
_chemical_formula_sum "O52 Nd26 B8"
_cell_length_a 12.775934
_cell_length_b 6.799471
_cell_length_c 14.426337179999999
_cell_angle_alpha 80.3467461
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SwapAtomsAction | d5db81dc-c8bd-4856-9773-809f6725bd7e | mp-759828 | Swap the spatial positions of atoms at indices 10 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... | data_image0
_chemical_formula_structural Li2Mn2V2PHP3H3O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.927... |
SwapAtomsAction | 5b4ba079-9ad6-4a2b-bcaf-a1d8219542a3 | mp-580525 | 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 Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Dy4NiDy7Ni9DyNi2Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 07b38d8a-35a8-49d6-8864-ddbc793a11b8 | mp-1175149 | Swap the spatial positions of atoms at indices 9 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li7Mn4CoO12
_chemical_formula_sum "Li7 Mn4 Co1 O12"
_cell_length_a 5.90637818
_cell_length_b 5.94372961
_cell_length_c 6.47153345
_cell_angle_alpha 103.60947684000001
_cell_angle_beta 104.56002002
_cell_angle_gamma 87.4318284
_spac... | data_image0
_chemical_formula_structural Li5MnLiMn2LiMnCoO12
_chemical_formula_sum "Li7 Mn4 Co1 O12"
_cell_length_a 5.90637818
_cell_length_b 5.94372961
_cell_length_c 6.47153345
_cell_angle_alpha 103.60947684000001
_cell_angle_beta 104.56002002
_cell_angle_gamma 87.431828... |
SwapAtomsAction | d71ea169-5fa5-4faf-80fe-2654eb8c380b | mp-1033833 | 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 CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... | data_image0
_chemical_formula_structural CsOMg6O3RbO3
_chemical_formula_sum "Cs1 O7 Mg6 Rb1"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group... |
SwapAtomsAction | 562ea502-8e81-4fd1-b83b-c5563a8669dc | mp-768385 | Swap the spatial positions of atoms at indices 8 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8Y4Br28
_chemical_formula_sum "Ba8 Y4 Br28"
_cell_length_a 18.238748
_cell_length_b 7.685806
_cell_length_c 14.66278223
_cell_angle_alpha 58.734098530000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba8BrY3BrYBr26
_chemical_formula_sum "Ba8 Br28 Y4"
_cell_length_a 18.238748
_cell_length_b 7.685806
_cell_length_c 14.66278223
_cell_angle_alpha 58.734098530000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SwapAtomsAction | cb6b4719-b778-4ca5-91c5-0a2bf6019fb1 | mp-1022085 | Swap the spatial positions of atoms at indices 8 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg12Cu2B2
_chemical_formula_sum "Mg12 Cu2 B2"
_cell_length_a 4.488917
_cell_length_b 6.402117
_cell_length_c 10.176511
_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 Mg8CuMg4CuB2
_chemical_formula_sum "Mg12 Cu2 B2"
_cell_length_a 4.488917
_cell_length_b 6.402117
_cell_length_c 10.176511
_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 | 0d647829-6b5b-4ecd-a07d-e0f5a6ee221a | mp-1272815 | 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 Sr4Co4O12
_chemical_formula_sum "Sr4 Co4 O12"
_cell_length_a 5.49019555
_cell_length_b 6.73615954
_cell_length_c 6.73608611
_cell_angle_alpha 70.94369734
_cell_angle_beta 90.0001565
_cell_angle_gamma 90.00014446
_space_group_name_H... | data_image0
_chemical_formula_structural Sr2OSrCo4O5SrO6
_chemical_formula_sum "Sr4 O12 Co4"
_cell_length_a 5.49019555
_cell_length_b 6.73615954
_cell_length_c 6.73608611
_cell_angle_alpha 70.94369734
_cell_angle_beta 90.0001565
_cell_angle_gamma 90.00014446
_space_group_... |
SwapAtomsAction | 13f81887-864d-4e23-b174-1ba1531d8460 | mp-722245 | Swap the spatial positions of atoms at indices 31 and 40 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8H8C8S8N8O4
_chemical_formula_sum "K8 H8 C8 S8 N8 O4"
_cell_length_a 8.118295
_cell_length_b 9.880075
_cell_length_c 10.361205
_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 K8H8C8S7ON8SO3
_chemical_formula_sum "K8 H8 C8 S8 O4 N8"
_cell_length_a 8.118295
_cell_length_b 9.880075
_cell_length_c 10.361205
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | c57116d0-d8c7-4039-be26-b21601e6c664 | mp-1046251 | Swap the spatial positions of atoms at indices 9 and 14 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 Ta4Zn4WO5WO11
_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... |
SwapAtomsAction | a3bb0eb9-00eb-438e-8402-3c3bc2ee31c6 | mp-849612 | 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 Li2Fe8B8O24
_chemical_formula_sum "Li2 Fe8 B8 O24"
_cell_length_a 5.257853
_cell_length_b 5.25818243
_cell_length_c 20.16227652
_cell_angle_alpha 89.95562184000002
_cell_angle_beta 90.19017187000001
_cell_angle_gamma 119.21702683000... | data_image0
_chemical_formula_structural Li2FeBFe6BFeB6O24
_chemical_formula_sum "Li2 Fe8 B8 O24"
_cell_length_a 5.257853
_cell_length_b 5.25818243
_cell_length_c 20.16227652
_cell_angle_alpha 89.95562184000002
_cell_angle_beta 90.19017187000001
_cell_angle_gamma 119.21702... |
SwapAtomsAction | 095102c6-ebec-4d34-9997-aad66a7d69b3 | mp-768242 | Swap the spatial positions of atoms at indices 1 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pt4O12
_chemical_formula_sum "Pt4 O12"
_cell_length_a 4.92863
_cell_length_b 5.027478
_cell_length_c 7.210065
_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_nu... | data_image0
_chemical_formula_structural PtOPt2O10PtO
_chemical_formula_sum "Pt4 O12"
_cell_length_a 4.92863
_cell_length_b 5.027478
_cell_length_c 7.210065
_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 | 28bb069c-00e1-4bc9-bd9a-c91ce47c765b | mp-1216937 | Swap the spatial positions of atoms at indices 25 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Nb4H4O20
_chemical_formula_sum "Ti4 Nb4 H4 O20"
_cell_length_a 3.817738
_cell_length_b 6.581201
_cell_length_c 16.933684
_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 Ti4Nb4HOH2O13HO6
_chemical_formula_sum "Ti4 Nb4 H4 O20"
_cell_length_a 3.817738
_cell_length_b 6.581201
_cell_length_c 16.933684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | 1fb2c217-b769-4454-a79e-b0d7678b172c | mp-1552 | 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 Mo8C4
_chemical_formula_sum "Mo8 C4"
_cell_length_a 4.7285431
_cell_length_b 5.20975702
_cell_length_c 6.05260249
_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 Mo2CMo5CMoC2
_chemical_formula_sum "Mo8 C4"
_cell_length_a 4.7285431
_cell_length_b 5.20975702
_cell_length_c 6.05260249
_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 | 4a90f29c-9582-44b3-b293-9aa782e4ad92 | mp-1223619 | Swap the spatial positions of atoms at indices 2 and 25 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Al4Si16O60
_chemical_formula_sum "Mg4 Al4 Si16 O60"
_cell_length_a 5.36580177
_cell_length_b 12.84649751
_cell_length_c 18.23494156
_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 Mg2OMgAl4Si16OMgO58
_chemical_formula_sum "Mg4 O60 Al4 Si16"
_cell_length_a 5.36580177
_cell_length_b 12.84649751
_cell_length_c 18.23494156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SwapAtomsAction | f651c929-fca2-498c-bc53-c86435b9054b | mp-2217073 | Swap the spatial positions of atoms at indices 1 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTi3O6
_chemical_formula_sum "Mg1 Ti3 O6"
_cell_length_a 5.13118942
_cell_length_b 7.32673673
_cell_length_c 2.93737545
_cell_angle_alpha 78.42218677
_cell_angle_beta 90.06910925
_cell_angle_gamma 89.62369234000002
_space_group_na... | data_image0
_chemical_formula_structural MgOTi2OTiO4
_chemical_formula_sum "Mg1 O6 Ti3"
_cell_length_a 5.13118942
_cell_length_b 7.32673673
_cell_length_c 2.93737545
_cell_angle_alpha 78.42218677
_cell_angle_beta 90.06910925
_cell_angle_gamma 89.62369234000002
_space_grou... |
SwapAtomsAction | c369a4f7-b029-4187-9323-6abc63a9f22c | mp-757162 | Swap the spatial positions of atoms at indices 14 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Bi6O8F2
_chemical_formula_sum "Bi6 O8 F2"
_cell_length_a 5.854082
_cell_length_b 5.765438
_cell_length_c 9.08894986
_cell_angle_alpha 80.93159899
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Bi6O3FO5F
_chemical_formula_sum "Bi6 O8 F2"
_cell_length_a 5.854082
_cell_length_b 5.765438
_cell_length_c 9.08894986
_cell_angle_alpha 80.93159899
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
SwapAtomsAction | 45ed3845-c10f-418f-9766-71c0af955c21 | mp-1104064 | 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 Zn2H2I2O8
_chemical_formula_sum "Zn2 H2 I2 O8"
_cell_length_a 5.490621
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma 83.90990428
_space_group_... | data_image0
_chemical_formula_structural ZnH2ZnI2O8
_chemical_formula_sum "Zn2 H2 I2 O8"
_cell_length_a 5.490621
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma 83.90990428
_space_group... |
SwapAtomsAction | 4baff7e4-299a-410e-8c90-be078d4e8cd2 | mp-549058 | 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 Ba4Fe4Se4O2F4
_chemical_formula_sum "Ba4 Fe4 Se4 O2 F4"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90.00067... | data_image0
_chemical_formula_structural BaSeBa2Fe4Se3BaO2F4
_chemical_formula_sum "Ba4 Se4 Fe4 O2 F4"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90... |
SwapAtomsAction | 0603d398-b36d-47be-a633-c56a79055790 | mp-1519666 | Swap the spatial positions of atoms at indices 2 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2CeZrO6
_chemical_formula_sum "Sr2 Ce1 Zr1 O6"
_cell_length_a 6.10087518
_cell_length_b 6.100875180000001
_cell_length_c 6.10087518
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.000000... | data_image0
_chemical_formula_structural Sr2OZrOCeO4
_chemical_formula_sum "Sr2 O6 Zr1 Ce1"
_cell_length_a 6.10087518
_cell_length_b 6.100875180000001
_cell_length_c 6.10087518
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.0000... |
SwapAtomsAction | bbcb5aa2-8adb-4ced-8ffb-8bfd0022a1b4 | mp-1246950 | 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 MnC8N6
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_spa... | data_image0
_chemical_formula_structural MnCNC6N3CN2
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
... |
SwapAtomsAction | 4340acd2-d416-4503-a6d5-3b66a2f1a9b8 | mp-18133 | Swap the spatial positions of atoms at indices 14 and 33 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr8Co16P12
_chemical_formula_sum "Zr8 Co16 P12"
_cell_length_a 12.01426533
_cell_length_b 12.0152633
_cell_length_c 3.65191901
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99873488999998
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Zr8Co6PCo9P9CoP2
_chemical_formula_sum "Zr8 Co16 P12"
_cell_length_a 12.01426533
_cell_length_b 12.0152633
_cell_length_c 3.65191901
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99873488999998
_space_group_nam... |
SwapAtomsAction | cdd7ed48-1642-4f3d-8c25-69b73dc3d4ab | mp-569862 | Swap the spatial positions of atoms at indices 13 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb8P4Se18
_chemical_formula_sum "Rb8 P4 Se18"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... | data_image0
_chemical_formula_structural Rb6SeRbP4SeRbSe16
_chemical_formula_sum "Rb8 Se18 P4"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94... |
SwapAtomsAction | 8a485f4a-5a0f-4538-8523-75be0e309ee2 | mp-868007 | Swap the spatial positions of atoms at indices 13 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3CuNi3O8
_chemical_formula_sum "Li3 Cu1 Ni3 O8"
_cell_length_a 5.8360728
_cell_length_b 5.8360728
_cell_length_c 5.83607304
_cell_angle_alpha 59.329335500000006
_cell_angle_beta 59.32933549999999
_cell_angle_gamma 59.3293311699999... | data_image0
_chemical_formula_structural Li3ONi3O6CuO
_chemical_formula_sum "Li3 O8 Ni3 Cu1"
_cell_length_a 5.8360728
_cell_length_b 5.8360728
_cell_length_c 5.83607304
_cell_angle_alpha 59.329335500000006
_cell_angle_beta 59.32933549999999
_cell_angle_gamma 59.32933116999... |
SwapAtomsAction | 9bc0b71c-4c9f-43d6-a982-66f89f76be69 | mp-1190284 | Swap the spatial positions of atoms at indices 7 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Bi8Se9
_chemical_formula_sum "Bi8 Se9"
_cell_length_a 4.20604969
_cell_length_b 4.20604969
_cell_length_c 34.32393858
_cell_angle_alpha 86.52853567
_cell_angle_beta 86.52853567
_cell_angle_gamma 60.00181730999999
_space_group_name_... | data_image0
_chemical_formula_structural Bi7SeBiSe8
_chemical_formula_sum "Bi8 Se9"
_cell_length_a 4.20604969
_cell_length_b 4.20604969
_cell_length_c 34.32393858
_cell_angle_alpha 86.52853567
_cell_angle_beta 86.52853567
_cell_angle_gamma 60.00181730999999
_space_group_n... |
SwapAtomsAction | a77cf723-f30c-49db-b8b2-2569b91ececa | mp-505098 | Swap the spatial positions of atoms at indices 16 and 64 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe8Se12O48
_chemical_formula_sum "Fe8 Se12 O48"
_cell_length_a 8.93422158
_cell_length_b 8.57045447
_cell_length_c 14.581498490000001
_cell_angle_alpha 55.32907682
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Fe8Se8OSe3O44SeO3
_chemical_formula_sum "Fe8 Se12 O48"
_cell_length_a 8.93422158
_cell_length_b 8.57045447
_cell_length_c 14.581498490000001
_cell_angle_alpha 55.32907682
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SwapAtomsAction | 1abaf49c-61a5-46a4-a0d9-3b7411d2cb64 | mp-768070 | Swap the spatial positions of atoms at indices 30 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Ni4P4C4O28
_chemical_formula_sum "Na8 Ni4 P4 C4 O28"
_cell_length_a 10.09848388
_cell_length_b 10.32168703
_cell_length_c 6.66640153
_cell_angle_alpha 90.48000207
_cell_angle_beta 90.24369472999999
_cell_angle_gamma 60.59041195
... | data_image0
_chemical_formula_structural Na8Ni3OP4C4O10NiO17
_chemical_formula_sum "Na8 Ni4 O28 P4 C4"
_cell_length_a 10.09848388
_cell_length_b 10.32168703
_cell_length_c 6.66640153
_cell_angle_alpha 90.48000207
_cell_angle_beta 90.24369472999999
_cell_angle_gamma 60.5904... |
SwapAtomsAction | a9b88178-f4fb-4bbb-be0a-25281e7c36f8 | mp-570258 | Swap the spatial positions of atoms at indices 9 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca6Al4N8
_chemical_formula_sum "Ca6 Al4 N8"
_cell_length_a 6.70681437
_cell_length_b 6.70681437
_cell_length_c 5.49639854
_cell_angle_alpha 88.31770329999999
_cell_angle_beta 88.31770329999999
_cell_angle_gamma 75.76571166
_space_g... | data_image0
_chemical_formula_structural Ca6Al3N4AlN4
_chemical_formula_sum "Ca6 Al4 N8"
_cell_length_a 6.70681437
_cell_length_b 6.70681437
_cell_length_c 5.49639854
_cell_angle_alpha 88.31770329999999
_cell_angle_beta 88.31770329999999
_cell_angle_gamma 75.76571166
_spa... |
SwapAtomsAction | d69e1434-b623-4d64-a2e5-92e54af6c22b | mp-20083 | 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 Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 ScSiSc2Cu4Si2ScSi
_chemical_formula_sum "Sc4 Si4 Cu4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 93354898-6467-46d5-bfea-2eaef19e8292 | mp-1196873 | Swap the spatial positions of atoms at indices 24 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er6Co8Ge26
_chemical_formula_sum "Er6 Co8 Ge26"
_cell_length_a 8.763719
_cell_length_b 8.763719
_cell_length_c 8.763719
_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 Er6Co2GeCo5Ge10CoGe15
_chemical_formula_sum "Er6 Co8 Ge26"
_cell_length_a 8.763719
_cell_length_b 8.763719
_cell_length_c 8.763719
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 7a53d723-25d5-46b3-a84e-10957d70d9f1 | mp-26941 | Swap the spatial positions of atoms at indices 5 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_space_g... | data_image0
_chemical_formula_structural Li4MnOMn2P4O9MnO6
_chemical_formula_sum "Li4 Mn4 O16 P4"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_s... |
SwapAtomsAction | 0942608b-3bb5-487b-b859-4dbe5c4c8918 | mp-2231123 | 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 Na4MgTi2Ge2O10
_chemical_formula_sum "Na4 Mg1 Ti2 Ge2 O10"
_cell_length_a 5.8387014
_cell_length_b 6.63496181
_cell_length_c 6.63496181
_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 GeNa3MgTi2GeNaO10
_chemical_formula_sum "Ge2 Na4 Mg1 Ti2 O10"
_cell_length_a 5.8387014
_cell_length_b 6.63496181
_cell_length_c 6.63496181
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | c43ecc5f-ed40-4033-9a11-400a5586e66e | mp-1225622 | Swap the spatial positions of atoms at indices 4 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er4Al4Fe4
_chemical_formula_sum "Er4 Al4 Fe4"
_cell_length_a 5.38654356
_cell_length_b 5.386450749999999
_cell_length_c 8.523462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 59.771681419999986
_space_group_name_H-... | data_image0
_chemical_formula_structural Er4FeAl3FeAlFe2
_chemical_formula_sum "Er4 Fe4 Al4"
_cell_length_a 5.38654356
_cell_length_b 5.386450749999999
_cell_length_c 8.523462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 59.771681419999986
_space_group_n... |
SwapAtomsAction | 0290edc0-b237-4177-83c2-4b870ad34c02 | mp-1220943 | Swap the spatial positions of atoms at indices 50 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Al8Si8O32
_chemical_formula_sum "Na8 Al8 Si8 O32"
_cell_length_a 8.45517465
_cell_length_b 10.06538869
_cell_length_c 10.03117965
_cell_angle_alpha 119.93793984
_cell_angle_beta 90.17036924
_cell_angle_gamma 89.76689811
_space_g... | data_image0
_chemical_formula_structural Na4ONa3Al8Si8O26NaO5
_chemical_formula_sum "Na8 O32 Al8 Si8"
_cell_length_a 8.45517465
_cell_length_b 10.06538869
_cell_length_c 10.03117965
_cell_angle_alpha 119.93793984
_cell_angle_beta 90.17036924
_cell_angle_gamma 89.76689811
... |
SwapAtomsAction | 8dd1da46-64a4-48ad-ade2-9623d7d13d41 | mp-696656 | Swap the spatial positions of atoms at indices 22 and 34 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural B4H16O8F12
_chemical_formula_sum "B4 H16 O8 F12"
_cell_length_a 7.43387
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural B4H16O2FO5F6OF5
_chemical_formula_sum "B4 H16 O8 F12"
_cell_length_a 7.43387
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 05c2736c-ed29-4b1c-a2dd-e1e18f094dc8 | mp-1212741 | Swap the spatial positions of atoms at indices 15 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu2Al6B8O24
_chemical_formula_sum "Eu2 Al6 B8 O24"
_cell_length_a 5.96691806
_cell_length_b 5.96691806
_cell_length_c 11.285481099999998
_cell_angle_alpha 81.50343243
_cell_angle_beta 81.50343243
_cell_angle_gamma 104.10647599
_spa... | data_image0
_chemical_formula_structural Eu2Al6B7O9BO15
_chemical_formula_sum "Eu2 Al6 B8 O24"
_cell_length_a 5.96691806
_cell_length_b 5.96691806
_cell_length_c 11.285481099999998
_cell_angle_alpha 81.50343243
_cell_angle_beta 81.50343243
_cell_angle_gamma 104.10647599
_... |
SwapAtomsAction | 58d5158b-9232-43e2-81e6-b5e2a0b85ed3 | mp-1111891 | Swap the spatial positions of atoms at indices 9 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na3LuCl6
_chemical_formula_sum "Na3 Lu1 Cl6"
_cell_length_a 7.43056797
_cell_length_b 7.43056797
_cell_length_c 7.43056797
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural ClNa2LuCl5Na
_chemical_formula_sum "Cl6 Na3 Lu1"
_cell_length_a 7.43056797
_cell_length_b 7.43056797
_cell_length_c 7.43056797
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
SwapAtomsAction | 4cce133d-d9ca-4a97-87c4-9a2624c077c6 | mp-1147529 | 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 Ba4Cu3BrO6
_chemical_formula_sum "Ba4 Cu3 Br1 O6"
_cell_length_a 6.92670674
_cell_length_b 6.92670674
_cell_length_c 6.92670674
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Ba3Cu3BaBrO6
_chemical_formula_sum "Ba4 Cu3 Br1 O6"
_cell_length_a 6.92670674
_cell_length_b 6.92670674
_cell_length_c 6.92670674
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... |
SwapAtomsAction | a307ed5d-e66d-44ce-8579-927d01da8d1b | mp-761916 | Swap the spatial positions of atoms at indices 34 and 40 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4H16Au4Br16O8
_chemical_formula_sum "Na4 H16 Au4 Br16 O8"
_cell_length_a 7.60692
_cell_length_b 9.490718
_cell_length_c 13.416992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4H16Au4Br10OBr6O7
_chemical_formula_sum "Na4 H16 Au4 Br16 O8"
_cell_length_a 7.60692
_cell_length_b 9.490718
_cell_length_c 13.416992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 3633af41-7fdd-48b6-9de8-05e533b67588 | mp-15203 | Swap the spatial positions of atoms at indices 45 and 31 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural Li12Ca19NCa4W8NCaN30O6
_chemical_formula_sum "Li12 Ca24 N32 W8 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_ang... |
SwapAtomsAction | aa68db26-877a-46c3-a917-ebab3cf15834 | mp-30215 | Swap the spatial positions of atoms at indices 4 and 39 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr12Mo4O28
_chemical_formula_sum "Pr12 Mo4 O28"
_cell_length_a 7.62193605
_cell_length_b 7.64154085
_cell_length_c 11.00557648
_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 Pr4OPr7Mo4O23PrO4
_chemical_formula_sum "Pr12 O28 Mo4"
_cell_length_a 7.62193605
_cell_length_b 7.64154085
_cell_length_c 11.00557648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | c6d6edbd-194f-4c38-b8ea-2d036c65d13b | mp-1043069 | Swap the spatial positions of atoms at indices 0 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural ZnCr4Cu3O12
_chemical_formula_sum "Zn1 Cr4 Cu3 O12"
_cell_length_a 6.35183077
_cell_length_b 6.365661799999999
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma 109.42098417... | data_image0
_chemical_formula_structural OCr4Cu3O9ZnO2
_chemical_formula_sum "O12 Cr4 Cu3 Zn1"
_cell_length_a 6.35183077
_cell_length_b 6.365661799999999
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma 109.420984... |
SwapAtomsAction | 8f221417-d766-47f7-9bfc-7bb065989f61 | mp-1173960 | Swap the spatial positions of atoms at indices 18 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Co4O10
_chemical_formula_sum "Li6 Co4 O10"
_cell_length_a 4.951427
_cell_length_b 5.02580814
_cell_length_c 7.56259108
_cell_angle_alpha 71.79910587
_cell_angle_beta 72.19121182000002
_cell_angle_gamma 79.81802241
_space_group_n... | data_image0
_chemical_formula_structural Li6CoOCo2O8CoO
_chemical_formula_sum "Li6 Co4 O10"
_cell_length_a 4.951427
_cell_length_b 5.02580814
_cell_length_c 7.56259108
_cell_angle_alpha 71.79910587
_cell_angle_beta 72.19121182000002
_cell_angle_gamma 79.81802241
_space_gr... |
SwapAtomsAction | 660fcb72-7a73-4805-94f3-741e19edb86d | mp-1212178 | Swap the spatial positions of atoms at indices 38 and 50 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 In4H34OHS8O2HO45
_chemical_formula_sum "In4 H36 O48 S8"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 5e69a634-5468-4238-9e1f-e24ffd675ae6 | mp-1246265 | 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 Co2Ni10N8
_chemical_formula_sum "Co2 Ni10 N8"
_cell_length_a 8.954768
_cell_length_b 5.75865
_cell_length_c 3.969603
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Co2Ni3NNi6N2NiN5
_chemical_formula_sum "Co2 Ni10 N8"
_cell_length_a 8.954768
_cell_length_b 5.75865
_cell_length_c 3.969603
_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 | ff7e5893-9e84-4c54-bbf9-86d32c498ea2 | mp-628951 | Swap the spatial positions of atoms at indices 1 and 40 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V8P8O36
_chemical_formula_sum "V8 P8 O36"
_cell_length_a 7.52725
_cell_length_b 8.549103
_cell_length_c 9.692043
_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 VOV6P8O24VO11
_chemical_formula_sum "V8 O36 P8"
_cell_length_a 7.52725
_cell_length_b 8.549103
_cell_length_c 9.692043
_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... |
SwapAtomsAction | 6ff0d2db-e189-431e-89fa-f36d17baaca3 | mp-1235624 | 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 LiAl2Cu2O6
_chemical_formula_sum "Li1 Al2 Cu2 O6"
_cell_length_a 3.037194
_cell_length_b 3.03719336
_cell_length_c 13.313027
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998516999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Al2LiCu2O6
_chemical_formula_sum "Al2 Li1 Cu2 O6"
_cell_length_a 3.037194
_cell_length_b 3.03719336
_cell_length_c 13.313027
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998516999999
_space_group_name_H-M_al... |
SwapAtomsAction | 64dd178c-f52c-4510-a885-57e36d897830 | mp-27013 | Swap the spatial positions of atoms at indices 10 and 54 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... | data_image0
_chemical_formula_structural Li10OLi7V6P16O14LiO43
_chemical_formula_sum "Li18 O58 V6 P16"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_gr... |
SwapAtomsAction | d1d24794-9955-48fa-9c44-0a31fddc8912 | mp-540818 | Swap the spatial positions of atoms at indices 17 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl8Ge8Se20
_chemical_formula_sum "Tl8 Ge8 Se20"
_cell_length_a 11.17155027
_cell_length_b 11.17155027
_cell_length_c 9.12595111
_cell_angle_alpha 78.15865084
_cell_angle_beta 78.15865084
_cell_angle_gamma 89.72956838
_space_group_n... | data_image0
_chemical_formula_structural Tl2SeTl5Ge8SeTlSe18
_chemical_formula_sum "Tl8 Se20 Ge8"
_cell_length_a 11.17155027
_cell_length_b 11.17155027
_cell_length_c 9.12595111
_cell_angle_alpha 78.15865084
_cell_angle_beta 78.15865084
_cell_angle_gamma 89.72956838
_spac... |
SwapAtomsAction | 27e842a5-e6a7-4957-90a2-7f0f2d2486e1 | mp-570466 | Swap the spatial positions of atoms at indices 10 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Ca4
_chemical_formula_sum "Li8 Ca4"
_cell_length_a 6.19327088
_cell_length_b 6.1932687699999995
_cell_length_c 10.18371546
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000574000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li6CaLiCa2LiCa
_chemical_formula_sum "Li8 Ca4"
_cell_length_a 6.19327088
_cell_length_b 6.1932687699999995
_cell_length_c 10.18371546
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000574000002
_space_group_na... |
SwapAtomsAction | e6dcda27-566f-4589-9dff-a5802be92019 | mp-27353 | Swap the spatial positions of atoms at indices 14 and 53 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb12Cl24F36
_chemical_formula_sum "Sb12 Cl24 F36"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sb12Cl2FCl21F17ClF18
_chemical_formula_sum "Sb12 Cl24 F36"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SwapAtomsAction | 56fd2380-ba0a-4668-802b-40cfd0aa0eb0 | mp-1200885 | Swap the spatial positions of atoms at indices 34 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y16C28
_chemical_formula_sum "Y16 C28"
_cell_length_a 3.705523
_cell_length_b 12.60303057
_cell_length_c 13.70947855
_cell_angle_alpha 90.0
_cell_angle_beta 96.72964334
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Y12CY3C18YC9
_chemical_formula_sum "Y16 C28"
_cell_length_a 3.705523
_cell_length_b 12.60303057
_cell_length_c 13.70947855
_cell_angle_alpha 90.0
_cell_angle_beta 96.72964334
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 7ba59a31-a6ef-4eee-a4d2-0010025e69a9 | mp-1201604 | Swap the spatial positions of atoms at indices 17 and 30 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd16B8O32
_chemical_formula_sum "Cd16 B8 O32"
_cell_length_a 10.00194764
_cell_length_b 10.00194764
_cell_length_c 10.00194764
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Cd16BOB6O6BO25
_chemical_formula_sum "Cd16 B8 O32"
_cell_length_a 10.00194764
_cell_length_b 10.00194764
_cell_length_c 10.00194764
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
SwapAtomsAction | 589fbde4-077c-41f9-a110-4538ae496cb9 | mp-764512 | Swap the spatial positions of atoms at indices 19 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5Fe8B8O24
_chemical_formula_sum "Li5 Fe8 B8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... | data_image0
_chemical_formula_structural Li2BLi2Fe8B6LiBO24
_chemical_formula_sum "Li5 B8 Fe8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
... |
SwapAtomsAction | e8658880-967b-45e4-a3cb-23b803f1b1d5 | mp-29057 | 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 Nb3SBr7
_chemical_formula_sum "Nb3 S1 Br7"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2BrSBr2NbBr4
_chemical_formula_sum "Nb3 Br7 S1"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M... |
SwapAtomsAction | 17bb13e0-f63b-4ed9-be06-90681e7b61c2 | mp-1228133 | 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 Ba3Lu2MoO9
_chemical_formula_sum "Ba3 Lu2 Mo1 O9"
_cell_length_a 5.94778682
_cell_length_b 5.94778682
_cell_length_c 7.28242392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000179000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural OBa2Lu2MoO5BaO3
_chemical_formula_sum "O9 Ba3 Lu2 Mo1"
_cell_length_a 5.94778682
_cell_length_b 5.94778682
_cell_length_c 7.28242392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000179000001
_space_group_nam... |
SwapAtomsAction | 06e9eb47-bc90-42a6-8d4d-94025b5fe4a2 | mp-754693 | 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 Lu2Bi6O12
_chemical_formula_sum "Lu2 Bi6 O12"
_cell_length_a 6.96675965
_cell_length_b 6.966759650000001
_cell_length_c 6.966759500000001
_cell_angle_alpha 93.17896997
_cell_angle_beta 93.17896997
_cell_angle_gamma 93.17895705000001... | data_image0
_chemical_formula_structural LuBi2LuBi4O12
_chemical_formula_sum "Lu2 Bi6 O12"
_cell_length_a 6.96675965
_cell_length_b 6.966759650000001
_cell_length_c 6.966759500000001
_cell_angle_alpha 93.17896997
_cell_angle_beta 93.17896997
_cell_angle_gamma 93.1789570500... |
SwapAtomsAction | 948338ab-f977-41e1-b3d7-ab7cb1826e96 | mp-1192677 | Swap the spatial positions of atoms at indices 3 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs3IPr6OsCsI12
_chemical_formula_sum "Cs4 I13 Pr6 Os1"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734... |
SwapAtomsAction | 97c9c93b-96c5-4c8c-8fa6-efaa2c94d439 | mp-2216729 | Swap the spatial positions of atoms at indices 7 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti6H4O14
_chemical_formula_sum "Ti6 H4 O14"
_cell_length_a 8.43990617
_cell_length_b 8.38281178
_cell_length_c 9.45617311
_cell_angle_alpha 79.47027434
_cell_angle_beta 100.46037404
_cell_angle_gamma 154.07255096000003
_space_group... | data_image0
_chemical_formula_structural Ti6HOH2O6HO7
_chemical_formula_sum "Ti6 H4 O14"
_cell_length_a 8.43990617
_cell_length_b 8.38281178
_cell_length_c 9.45617311
_cell_angle_alpha 79.47027434
_cell_angle_beta 100.46037404
_cell_angle_gamma 154.07255096000003
_space_g... |
SwapAtomsAction | b889385f-5d41-40f4-8928-c8ec0e6b8cb3 | mp-1195074 | Swap the spatial positions of atoms at indices 4 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U8Pb4S20
_chemical_formula_sum "U8 Pb4 S20"
_cell_length_a 7.5826125
_cell_length_b 8.32006419
_cell_length_c 11.79754383
_cell_angle_alpha 89.70337174
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural U4SU3Pb4S7US12
_chemical_formula_sum "U8 S20 Pb4"
_cell_length_a 7.5826125
_cell_length_b 8.32006419
_cell_length_c 11.79754383
_cell_angle_alpha 89.70337174
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 33f674cc-b400-40eb-8d3e-bd4b0145d375 | mp-1192677 | 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 Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs2ICsPr6OsI10CsI2
_chemical_formula_sum "Cs4 I13 Pr6 Os1"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87... |
SwapAtomsAction | 97b20fa7-706c-4d16-9209-d0948adb161f | mp-735521 | Swap the spatial positions of atoms at indices 42 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4H24O12F12
_chemical_formula_sum "Mn4 H24 O12 F12"
_cell_length_a 8.45010996
_cell_length_b 9.23911177
_cell_length_c 6.39880545
_cell_angle_alpha 90.0
_cell_angle_beta 100.80680500999999
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural FMn3H24O12F2MnF9
_chemical_formula_sum "F12 Mn4 H24 O12"
_cell_length_a 8.45010996
_cell_length_b 9.23911177
_cell_length_c 6.39880545
_cell_angle_alpha 90.0
_cell_angle_beta 100.80680500999999
_cell_angle_gamma 90.0
_space_group_n... |
SwapAtomsAction | eb573247-c57a-4659-ab76-e307bbff144d | mp-774513 | Swap the spatial positions of atoms at indices 37 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Ti8Co10O36
_chemical_formula_sum "Li8 Ti8 Co10 O36"
_cell_length_a 2.887169
_cell_length_b 8.984515
_cell_length_c 24.75377
_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 Li3OLi4Ti8Co10O11LiO24
_chemical_formula_sum "Li8 O36 Ti8 Co10"
_cell_length_a 2.887169
_cell_length_b 8.984515
_cell_length_c 24.75377
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 7ab039c8-06c0-49d4-b7f9-a27329b90ec5 | mp-29717 | Swap the spatial positions of atoms at indices 69 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag4W24Br56
_chemical_formula_sum "Ag4 W24 Br56"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_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 Ag4BrW23Br41WBr14
_chemical_formula_sum "Ag4 Br56 W24"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 02d087d6-d313-427c-9f94-12ad91e09539 | mp-557500 | Swap the spatial positions of atoms at indices 1 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiSP2S5Ni
_chemical_formula_sum "Li1 S6 P2 Ni1"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gr... |
SwapAtomsAction | 716b46df-358a-45f5-834e-f97dfcef04d3 | mp-1217947 | Swap the spatial positions of atoms at indices 19 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 Ta3ONb4Ag8O3TaO20
_chemical_formula_sum "Ta4 O24 Nb4 Ag8"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 2b519782-34ff-4487-adee-bb832bfc5b95 | mp-1223746 | Swap the spatial positions of atoms at indices 12 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural InSb3Pb4O13
_chemical_formula_sum "In1 Sb3 Pb4 O13"
_cell_length_a 7.58615153
_cell_length_b 7.58615153
_cell_length_c 7.586150980000001
_cell_angle_alpha 60.338341190000016
_cell_angle_beta 60.338341190000016
_cell_angle_gamma 60.3... | data_image0
_chemical_formula_structural InSb2OPb4O4SbO8
_chemical_formula_sum "In1 Sb3 O13 Pb4"
_cell_length_a 7.58615153
_cell_length_b 7.58615153
_cell_length_c 7.586150980000001
_cell_angle_alpha 60.338341190000016
_cell_angle_beta 60.338341190000016
_cell_angle_gamma ... |
SwapAtomsAction | 367c0769-1a9b-44c2-924f-52e635617b12 | mp-568053 | 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 Tb4Ga12Pt
_chemical_formula_sum "Tb4 Ga12 Pt1"
_cell_length_a 7.42054485
_cell_length_b 7.420544879999999
_cell_length_c 7.42054551
_cell_angle_alpha 109.47121675000001
_cell_angle_beta 109.47121679
_cell_angle_gamma 109.47122431
_... | data_image0
_chemical_formula_structural TbGaTb2Ga8TbGa3Pt
_chemical_formula_sum "Tb4 Ga12 Pt1"
_cell_length_a 7.42054485
_cell_length_b 7.420544879999999
_cell_length_c 7.42054551
_cell_angle_alpha 109.47121675000001
_cell_angle_beta 109.47121679
_cell_angle_gamma 109.471... |
SwapAtomsAction | be750737-435e-482f-8627-abce50aad5cd | mp-18973 | 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 Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se3OSe4O19Se
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073... |
SwapAtomsAction | 12a4620b-5636-4bb1-b0ae-6f863d4a8f28 | mp-1073003 | Swap the spatial positions of atoms at indices 8 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.32799526
_cell_length_b 5.32799526
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_angle_gamma 45.32534773
_space_gro... | data_image0
_chemical_formula_structural Mg5SiMg3Si11
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.32799526
_cell_length_b 5.32799526
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_angle_gamma 45.32534773
_spac... |
SwapAtomsAction | e2772732-648c-4db7-a013-98d1ac09f9f8 | mp-753007 | 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 Mn6O5F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 5.630544
_cell_length_b 5.73634397
_cell_length_c 7.30659204
_cell_angle_alpha 74.02277974
_cell_angle_beta 74.24927185
_cell_angle_gamma 72.42715562
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural MnOMn5O4F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 5.630544
_cell_length_b 5.73634397
_cell_length_c 7.30659204
_cell_angle_alpha 74.02277974
_cell_angle_beta 74.24927185
_cell_angle_gamma 72.42715562
_space_group_name_H-M... |
SwapAtomsAction | 39d2792a-a138-4580-ac8f-097922e06518 | mp-1386638 | Swap the spatial positions of atoms at indices 20 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5CuOCuP4O8CuO7
_chemical_formula_sum "Na5 Cu3 O16 P4"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_s... |
SwapAtomsAction | 2362248c-3b83-45b7-96be-7dc35e2f07d4 | mp-1196375 | Swap the spatial positions of atoms at indices 45 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd2Cd40Ni4
_chemical_formula_sum "Gd2 Cd40 Ni4"
_cell_length_a 11.16102435
_cell_length_b 11.16102435
_cell_length_c 11.16102435
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Gd2Cd25NiCd14Ni3Cd
_chemical_formula_sum "Gd2 Cd40 Ni4"
_cell_length_a 11.16102435
_cell_length_b 11.16102435
_cell_length_c 11.16102435
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999... |
SwapAtomsAction | a64eb32a-cdfa-4f2f-88a4-7c66a478268a | mp-1208324 | Swap the spatial positions of atoms at indices 2 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti8Al12
_chemical_formula_sum "Ti8 Al12"
_cell_length_a 6.118791
_cell_length_b 6.118791
_cell_length_c 10.29645148
_cell_angle_alpha 107.28537181
_cell_angle_beta 107.28537181
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ti2AlTi5Al9TiAl2
_chemical_formula_sum "Ti8 Al12"
_cell_length_a 6.118791
_cell_length_b 6.118791
_cell_length_c 10.29645148
_cell_angle_alpha 107.28537181
_cell_angle_beta 107.28537181
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SwapAtomsAction | 0b08b957-6093-40d9-960a-7aa581d92c4b | mp-1210838 | Swap the spatial positions of atoms at indices 24 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2P2H12N2O10
_chemical_formula_sum "Mg2 P2 H12 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mg2P2H4OH7N2O6HO3
_chemical_formula_sum "Mg2 P2 H12 O10 N2"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | d09e731d-2164-48bd-8e94-f1150117fc07 | mp-1200095 | Swap the spatial positions of atoms at indices 10 and 46 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Np4P8O32
_chemical_formula_sum "Sr4 Np4 P8 O32"
_cell_length_a 6.97722498
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr4Np4P2OP5O30PO
_chemical_formula_sum "Sr4 Np4 P8 O32"
_cell_length_a 6.97722498
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_name_H-M_a... |
SwapAtomsAction | 661def97-ddb0-44ac-b6de-a1dd77c03738 | mp-1201951 | 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 Ce4As4O20F4
_chemical_formula_sum "Ce4 As4 O20 F4"
_cell_length_a 7.339404
_cell_length_b 5.309782
_cell_length_c 12.86736704
_cell_angle_alpha 70.94896114
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural CeOCe2As4O3CeO16F4
_chemical_formula_sum "Ce4 O20 As4 F4"
_cell_length_a 7.339404
_cell_length_b 5.309782
_cell_length_c 12.86736704
_cell_angle_alpha 70.94896114
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SwapAtomsAction | 0a290f32-d51e-461f-931c-d03bae4fddf0 | mp-1104551 | 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 DyZn12
_chemical_formula_sum "Dy1 Zn12"
_cell_length_a 6.70345637
_cell_length_b 6.7034563700000005
_cell_length_c 6.70345637
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.27002648
_space_group_na... | data_image0
_chemical_formula_structural Zn8DyZn4
_chemical_formula_sum "Zn12 Dy1"
_cell_length_a 6.70345637
_cell_length_b 6.7034563700000005
_cell_length_c 6.70345637
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.27002648
_space_group_... |
SwapAtomsAction | 9693ce63-9a22-4d95-a3d2-388622992933 | mp-29185 | Swap the spatial positions of atoms at indices 3 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... | data_image0
_chemical_formula_structural Te3FO6FTeF2
_chemical_formula_sum "Te4 F4 O6"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
... |
SwapAtomsAction | adc6d942-4918-463f-933b-4d6aebe53b68 | mp-768657 | Swap the spatial positions of atoms at indices 4 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4CrFe3O8
_chemical_formula_sum "Li4 Cr1 Fe3 O8"
_cell_length_a 5.17216
_cell_length_b 5.18489142
_cell_length_c 5.96628079
_cell_angle_alpha 106.75661343999998
_cell_angle_beta 89.98288698000002
_cell_angle_gamma 99.51075713
_spa... | data_image0
_chemical_formula_structural Li4OFe3O6CrO
_chemical_formula_sum "Li4 O8 Fe3 Cr1"
_cell_length_a 5.17216
_cell_length_b 5.18489142
_cell_length_c 5.96628079
_cell_angle_alpha 106.75661343999998
_cell_angle_beta 89.98288698000002
_cell_angle_gamma 99.51075713
_s... |
SwapAtomsAction | 0bcd0288-75f3-483f-b05b-d94a1fcfe342 | mp-780652 | Swap the spatial positions of atoms at indices 40 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... | data_image0
_chemical_formula_structural Li8OV5P16O10VO47
_chemical_formula_sum "Li8 O58 V6 P16"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.85808... |
SwapAtomsAction | 091604b5-893e-455d-b66d-a9e556e0ced6 | mp-1199497 | Swap the spatial positions of atoms at indices 12 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Mo12I28
_chemical_formula_sum "Cs4 Mo12 I28"
_cell_length_a 11.06858183
_cell_length_b 11.06858183
_cell_length_c 16.974737
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MoCs3Mo8CsMo3I28
_chemical_formula_sum "Mo12 Cs4 I28"
_cell_length_a 11.06858183
_cell_length_b 11.06858183
_cell_length_c 16.974737
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_... |
SwapAtomsAction | 2f8f6240-be32-4b15-83c9-b99ee7a3b179 | mp-2395 | Swap the spatial positions of atoms at indices 12 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb12Rh4
_chemical_formula_sum "Sb12 Rh4"
_cell_length_a 8.06295688
_cell_length_b 8.06295689
_cell_length_c 8.06295614
_cell_angle_alpha 109.47121362999998
_cell_angle_beta 109.47121362
_cell_angle_gamma 109.47122396000002
_space_g... | data_image0
_chemical_formula_structural Sb3RhSb9Rh3
_chemical_formula_sum "Sb12 Rh4"
_cell_length_a 8.06295688
_cell_length_b 8.06295689
_cell_length_c 8.06295614
_cell_angle_alpha 109.47121362999998
_cell_angle_beta 109.47121362
_cell_angle_gamma 109.47122396000002
_spa... |
SwapAtomsAction | 25990918-1a40-490f-9b28-deb1db803294 | mp-1223049 | Swap the spatial positions of atoms at indices 6 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4Br3ClO4
_chemical_formula_sum "La4 Br3 Cl1 O4"
_cell_length_a 8.52979552
_cell_length_b 8.52979552
_cell_length_c 4.158477
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.62807147000001
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural La4Br2OClO3Br
_chemical_formula_sum "La4 Br3 O4 Cl1"
_cell_length_a 8.52979552
_cell_length_b 8.52979552
_cell_length_c 4.158477
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.62807147000001
_space_group_name_H-... |
SwapAtomsAction | c5d74a1b-1e4c-4ec5-939d-2e6b3f17a5fc | mp-1075490 | Swap the spatial positions of atoms at indices 0 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg10Si12
_chemical_formula_sum "Mg10 Si12"
_cell_length_a 3.76229
_cell_length_b 7.462234
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural SiMg9Si3MgSi8
_chemical_formula_sum "Si12 Mg10"
_cell_length_a 3.76229
_cell_length_b 7.462234
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | 1dbd41e5-4e67-4dac-920d-b1b2729d00ff | mp-771953 | Swap the spatial positions of atoms at indices 2 and 25 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2OLiNb2Ni6O13LiO2
_chemical_formula_sum "Li4 O16 Nb2 Ni6"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H... |
SwapAtomsAction | d2ac4b16-e90b-4394-9f3b-23a698c56de0 | mp-1199329 | Swap the spatial positions of atoms at indices 2 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd4P4H4C8O24
_chemical_formula_sum "Gd4 P4 H4 C8 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_group_... | data_image0
_chemical_formula_structural Gd2OGdP4H4C8O7GdO16
_chemical_formula_sum "Gd4 O24 P4 H4 C8"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space... |
SwapAtomsAction | 862f143d-d893-45e1-b4c2-fad15b46e1a7 | mp-1207972 | Swap the spatial positions of atoms at indices 4 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural 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 U4GeTi5Ge7Ti
_chemical_formula_sum "U4 Ge8 Ti6"
_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 | 7dafc9d4-234d-4d09-a9be-b04c17abc912 | mp-1226904 | Swap the spatial positions of atoms at indices 4 and 32 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Al8Si4O22
_chemical_formula_sum "Ca2 Al8 Si4 O22"
_cell_length_a 5.4776243
_cell_length_b 5.4776243
_cell_length_c 12.837760639999999
_cell_angle_alpha 89.8173835
_cell_angle_beta 89.8173835
_cell_angle_gamma 119.97541108
_space... | data_image0
_chemical_formula_structural Ca2Al2OAl5Si4O18AlO3
_chemical_formula_sum "Ca2 Al8 O22 Si4"
_cell_length_a 5.4776243
_cell_length_b 5.4776243
_cell_length_c 12.837760639999999
_cell_angle_alpha 89.8173835
_cell_angle_beta 89.8173835
_cell_angle_gamma 119.97541108... |
SwapAtomsAction | 98bdfc61-19e9-48db-96b4-568b6e836389 | mp-759390 | Swap the spatial positions of atoms at indices 60 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.449902
_cell_length_b 8.813636
_cell_length_c 12.85301105
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Bi5OBi2P12O28BiO19
_chemical_formula_sum "Li12 Bi8 O48 P12"
_cell_length_a 9.449902
_cell_length_b 8.813636
_cell_length_c 12.85301105
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SwapAtomsAction | b20ef323-7e18-4485-937f-9c871a1edde7 | mp-2230007 | 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 Cs4MgTi2Ag4S8
_chemical_formula_sum "Cs4 Mg1 Ti2 Ag4 S8"
_cell_length_a 6.33906844
_cell_length_b 6.339068440000001
_cell_length_c 13.70134139
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 84.22111217
_space_group_... | data_image0
_chemical_formula_structural Cs2SCsMgTi2Ag4SCsS6
_chemical_formula_sum "Cs4 S8 Mg1 Ti2 Ag4"
_cell_length_a 6.33906844
_cell_length_b 6.339068440000001
_cell_length_c 13.70134139
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 84.22111217
_space_... |
SwapAtomsAction | af81cfbb-75bc-440a-9fe1-7725300587c6 | mp-1228248 | Swap the spatial positions of atoms at indices 1 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4NdYCu8O16
_chemical_formula_sum "Ba4 Nd1 Y1 Cu8 O16"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_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 BaOBa2NdYCu8O9BaO6
_chemical_formula_sum "Ba4 O16 Nd1 Y1 Cu8"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 73cd0607-60b2-4934-8984-84e5d9593521 | mp-676599 | Swap the spatial positions of atoms at indices 1 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu8NO11
_chemical_formula_sum "Cu8 N1 O11"
_cell_length_a 6.94565887
_cell_length_b 6.817023109999999
_cell_length_c 6.544039990000001
_cell_angle_alpha 62.60415246
_cell_angle_beta 60.6223808
_cell_angle_gamma 56.77346674999999
_s... | data_image0
_chemical_formula_structural CuOCu6NO4CuO6
_chemical_formula_sum "Cu8 O11 N1"
_cell_length_a 6.94565887
_cell_length_b 6.817023109999999
_cell_length_c 6.544039990000001
_cell_angle_alpha 62.60415246
_cell_angle_beta 60.6223808
_cell_angle_gamma 56.773466749999... |
SwapAtomsAction | d08940aa-8d97-4e4c-8b8f-dbd3528a3beb | mp-1202750 | Swap the spatial positions of atoms at indices 6 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Nd5PRuP10Ru3PRu15
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_nam... |
SwapAtomsAction | 5e76c02c-5d06-4fda-ad30-0f0f6dd4f4dc | mp-1048365 | 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 Y2Cu3O6
_chemical_formula_sum "Y2 Cu3 O6"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_space_gr... | data_image0
_chemical_formula_structural CuYCu2YO6
_chemical_formula_sum "Cu3 Y2 O6"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_space_... |
SwapAtomsAction | 4bec1dc0-c4dd-4851-b7c9-158750118662 | mp-775212 | Swap the spatial positions of atoms at indices 9 and 30 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2V4P6O24
_chemical_formula_sum "Mn2 V4 P6 O24"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000005
_... | data_image0
_chemical_formula_structural Mn2V4P3OP2O18PO5
_chemical_formula_sum "Mn2 V4 P6 O24"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000... |
SwapAtomsAction | 6d201f48-f2d6-4e0e-b414-67d15d81caa0 | mp-1245687 | Swap the spatial positions of atoms at indices 22 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta16Te12N8
_chemical_formula_sum "Ta16 Te12 N8"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_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 Ta9TeTa6Te6TaTe5N8
_chemical_formula_sum "Ta16 Te12 N8"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | b6ce6a5d-1b52-4fa5-8094-0a7fcd404805 | mp-556409 | Swap the spatial positions of atoms at indices 25 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20
_chemical_formula_sum "Ba7 Ca2 Mn5 O20"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.1467... | data_image0
_chemical_formula_structural Ba7Ca2Mn4O12MnO8
_chemical_formula_sum "Ba7 Ca2 Mn5 O20"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.... |
SwapAtomsAction | 5e336bb1-9c0c-489a-ab93-0cdce53dd50e | mp-1221261 | Swap the spatial positions of atoms at indices 33 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na3CaSc3ZnSi8O24
_chemical_formula_sum "Na3 Ca1 Sc3 Zn1 Si8 O24"
_cell_length_a 9.127381
_cell_length_b 5.376768
_cell_length_c 9.8600124
_cell_angle_alpha 75.33170251
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Na3CaSc3ZnSi4OSi3O17SiO6
_chemical_formula_sum "Na3 Ca1 Sc3 Zn1 Si8 O24"
_cell_length_a 9.127381
_cell_length_b 5.376768
_cell_length_c 9.8600124
_cell_angle_alpha 75.33170251
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
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