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 | ef447952-51f3-4b8a-bb56-5e0cf1ce2d4b | mp-1208448 | 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 Tb4Ga12Ag
_chemical_formula_sum "Tb4 Ga12 Ag1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_space_g... | data_image0
_chemical_formula_structural TbGaTb2Ga7TbGa4Ag
_chemical_formula_sum "Tb4 Ga12 Ag1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
... |
SwapAtomsAction | 324a917c-92da-4f34-9dc1-0dc331b7c6e5 | mp-1567262 | 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 Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... | data_image0
_chemical_formula_structural Li4Mn3OSb2MnO11
_chemical_formula_sum "Li4 Mn4 O12 Sb2"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499... |
SwapAtomsAction | 427b3424-4908-47b5-881f-4db8a920c1bf | mp-1176984 | Swap the spatial positions of atoms at indices 32 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2181397... | data_image0
_chemical_formula_structural Li11OMn2V6P12LiO47
_chemical_formula_sum "Li12 O48 Mn2 V6 P12"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2181... |
SwapAtomsAction | 1143f3df-8f33-4b83-be28-bd5e2a9c359c | mp-1209476 | Swap the spatial positions of atoms at indices 8 and 34 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb8Fe8S12O48
_chemical_formula_sum "Rb8 Fe8 S12 O48"
_cell_length_a 10.261897
_cell_length_b 10.261897
_cell_length_c 10.261897
_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 Rb8OFe7S12O6FeO41
_chemical_formula_sum "Rb8 O48 Fe8 S12"
_cell_length_a 10.261897
_cell_length_b 10.261897
_cell_length_c 10.261897
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 39800a44-f3de-4a3e-a292-14deaa8e2566 | mp-1196193 | Swap the spatial positions of atoms at indices 23 and 30 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural FeSn4H24C8Se10N2
_chemical_formula_sum "Fe1 Sn4 H24 C8 Se10 N2"
_cell_length_a 11.01614547
_cell_length_b 11.01614547
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_beta 123.33029273
_cell_angle_gamma 84.32248... | data_image0
_chemical_formula_structural FeSn4H18CH5CHC6Se10N2
_chemical_formula_sum "Fe1 Sn4 H24 C8 Se10 N2"
_cell_length_a 11.01614547
_cell_length_b 11.01614547
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_beta 123.33029273
_cell_angle_gamma 84.... |
SwapAtomsAction | b13409b2-cbc1-4c34-b6be-16c44aa011d3 | mp-1036452 | Swap the spatial positions of atoms at indices 22 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14AlBiO16
_chemical_formula_sum "Mg14 Al1 Bi1 O16"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 4.378847
_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 Mg10OMg3AlBiO6MgO9
_chemical_formula_sum "Mg14 O16 Al1 Bi1"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 4.378847
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | fbcf6e3e-85ab-4e32-8215-db98c5a6c234 | mp-541221 | Swap the spatial positions of atoms at indices 5 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... | data_image0
_chemical_formula_structural Ba5H2BaH10N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_gr... |
SwapAtomsAction | 04f042c7-c918-4744-b289-cb0605ea8d4b | mp-1223651 | Swap the spatial positions of atoms at indices 26 and 42 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La20Os12C13
_chemical_formula_sum "La20 Os12 C13"
_cell_length_a 15.968332
_cell_length_b 6.805853
_cell_length_c 9.18086384
_cell_angle_alpha 89.93005953000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural La20Os6COs5C10OsC2
_chemical_formula_sum "La20 Os12 C13"
_cell_length_a 15.968332
_cell_length_b 6.805853
_cell_length_c 9.18086384
_cell_angle_alpha 89.93005953000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SwapAtomsAction | 113a55a6-e158-4704-affb-5a1608f5698b | mp-1175183 | Swap the spatial positions of atoms at indices 14 and 40 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li14Mn8Co2O24
_chemical_formula_sum "Li14 Mn8 Co2 O24"
_cell_length_a 5.93090731
_cell_length_b 10.368841130000002
_cell_length_c 8.0209691
_cell_angle_alpha 110.1693237
_cell_angle_beta 75.24929671
_cell_angle_gamma 82.801730890000... | data_image0
_chemical_formula_structural Li14OMn7Co2O16MnO7
_chemical_formula_sum "Li14 O24 Mn8 Co2"
_cell_length_a 5.93090731
_cell_length_b 10.368841130000002
_cell_length_c 8.0209691
_cell_angle_alpha 110.1693237
_cell_angle_beta 75.24929671
_cell_angle_gamma 82.8017308... |
SwapAtomsAction | 01b8478c-c90b-4f59-b4ab-5646f1a45a92 | mp-678 | Swap the spatial positions of atoms at indices 9 and 66 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... | data_image0
_chemical_formula_structural Mg9AgMg44Ag12MgAg4
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_gr... |
SwapAtomsAction | e850ad77-865d-4acf-a719-82f7c0a8b595 | mp-1374432 | Swap the spatial positions of atoms at indices 3 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Ni4As4O20
_chemical_formula_sum "Mg4 Ni4 As4 O20"
_cell_length_a 5.80487
_cell_length_b 7.48795
_cell_length_c 8.385389
_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 Mg3ONi4As4O4MgO15
_chemical_formula_sum "Mg4 O20 Ni4 As4"
_cell_length_a 5.80487
_cell_length_b 7.48795
_cell_length_c 8.385389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 29410288-09d8-4e8e-8859-e7d2097fe618 | mp-1175476 | Swap the spatial positions of atoms at indices 12 and 30 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 2.98362
_cell_length_b 9.74424399
_cell_length_c 10.11371034
_cell_angle_alpha 77.44947545
_cell_angle_beta 89.18801387
_cell_angle_gamma 88.67283281
_space_group_name_H-... | data_image0
_chemical_formula_structural Li9Co3OCo3O14CoO
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 2.98362
_cell_length_b 9.74424399
_cell_length_c 10.11371034
_cell_angle_alpha 77.44947545
_cell_angle_beta 89.18801387
_cell_angle_gamma 88.67283281
_space_group_... |
SwapAtomsAction | 524ae0cd-04bd-419b-a8b4-ab9df3d7f9f0 | mp-1043960 | Swap the spatial positions of atoms at indices 18 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Ti4P8O28
_chemical_formula_sum "Mg4 Ti4 P8 O28"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg4Ti4OP7O2PO25
_chemical_formula_sum "Mg4 Ti4 O28 P8"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SwapAtomsAction | ced195e4-16f3-4e65-b992-607501bb8584 | mp-2223123 | 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 MgTe2Mo3Se2S2
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_spa... | data_image0
_chemical_formula_structural MgSTeMo3Se2STe
_chemical_formula_sum "Mg1 S2 Te2 Mo3 Se2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_sp... |
SwapAtomsAction | 17ba0838-67c2-4f8a-9b53-13cc54d72151 | mp-1246526 | Swap the spatial positions of atoms at indices 2 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr6Ru4N8
_chemical_formula_sum "Sr6 Ru4 N8"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space_group_... | data_image0
_chemical_formula_structural Sr2NSr3Ru4N6SrN
_chemical_formula_sum "Sr6 N8 Ru4"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space... |
SwapAtomsAction | f68d7601-a6ee-469d-bd23-b2281b37845d | mp-684709 | Swap the spatial positions of atoms at indices 1 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K6B34
_chemical_formula_sum "K6 B34"
_cell_length_a 13.30794988
_cell_length_b 13.30794988
_cell_length_c 13.307949880000002
_cell_angle_alpha 153.92748815
_cell_angle_beta 153.92748815
_cell_angle_gamma 37.20500753999999
_space_gr... | data_image0
_chemical_formula_structural KBK4B4KB29
_chemical_formula_sum "K6 B34"
_cell_length_a 13.30794988
_cell_length_b 13.30794988
_cell_length_c 13.307949880000002
_cell_angle_alpha 153.92748815
_cell_angle_beta 153.92748815
_cell_angle_gamma 37.20500753999999
_spa... |
SwapAtomsAction | 9b9543d0-5bc6-46e9-ad39-41fbac771525 | mp-1026735 | Swap the spatial positions of atoms at indices 0 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CeMg14Sb
_chemical_formula_sum "Ce1 Mg14 Sb1"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 10.55270559
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Mg6CeMg8Sb
_chemical_formula_sum "Mg14 Ce1 Sb1"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 10.55270559
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_name_H-M_... |
SwapAtomsAction | 6fd11525-cfc9-4cc5-a02b-d1b186f23088 | mp-18112 | Swap the spatial positions of atoms at indices 3 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr8Ge8Se20
_chemical_formula_sum "Sr8 Ge8 Se20"
_cell_length_a 12.39348995
_cell_length_b 8.52535437
_cell_length_c 12.20324559
_cell_angle_alpha 49.38111077999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sr3SeSr4Ge8Se10SrSe9
_chemical_formula_sum "Sr8 Se20 Ge8"
_cell_length_a 12.39348995
_cell_length_b 8.52535437
_cell_length_c 12.20324559
_cell_angle_alpha 49.38111077999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SwapAtomsAction | f6534533-4b7c-4d2c-bc9e-b088b1537e15 | mp-1110899 | Swap the spatial positions of atoms at indices 3 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural K2LiBr5SbBr
_chemical_formula_sum "K2 Li1 Br6 Sb1"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
SwapAtomsAction | f631ac74-902b-445b-9942-47ea11924e37 | mp-559286 | Swap the spatial positions of atoms at indices 9 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Al6Ge6Cl2O24
_chemical_formula_sum "Na8 Al6 Ge6 Cl2 O24"
_cell_length_a 9.141085
_cell_length_b 9.141085
_cell_length_c 9.141085
_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 Na4AlNa3AlNaAl4Ge6Cl2O24
_chemical_formula_sum "Na8 Al6 Ge6 Cl2 O24"
_cell_length_a 9.141085
_cell_length_b 9.141085
_cell_length_c 9.141085
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SwapAtomsAction | a3408255-3c5f-4638-9fd7-8e4035d28412 | mp-13456 | 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 Zn5S5
_chemical_formula_sum "Zn5 S5"
_cell_length_a 15.72505019
_cell_length_b 15.725050190000001
_cell_length_c 15.72504922
_cell_angle_alpha 13.908401220000002
_cell_angle_beta 13.908401220000002
_cell_angle_gamma 13.9084016399999... | data_image0
_chemical_formula_structural ZnSZn3S2ZnS2
_chemical_formula_sum "Zn5 S5"
_cell_length_a 15.72505019
_cell_length_b 15.725050190000001
_cell_length_c 15.72504922
_cell_angle_alpha 13.908401220000002
_cell_angle_beta 13.908401220000002
_cell_angle_gamma 13.908401... |
SwapAtomsAction | 7ad3cb1a-d966-4fb7-b13e-8a15af92b4b4 | mp-778743 | 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 Li10Cu2P4O16
_chemical_formula_sum "Li10 Cu2 P4 O16"
_cell_length_a 6.154576
_cell_length_b 5.383631
_cell_length_c 9.98142734
_cell_angle_alpha 89.89632549
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li5OLi4Cu2P4O6LiO9
_chemical_formula_sum "Li10 O16 Cu2 P4"
_cell_length_a 6.154576
_cell_length_b 5.383631
_cell_length_c 9.98142734
_cell_angle_alpha 89.89632549
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SwapAtomsAction | 1743a49d-cb14-4e99-b386-2ab4ad97bddf | mp-11321 | Swap the spatial positions of atoms at indices 7 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y6Ta2O14
_chemical_formula_sum "Y6 Ta2 O14"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Y3TaY2TaYO14
_chemical_formula_sum "Y6 Ta2 O14"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H-M_... |
SwapAtomsAction | 666373a7-cd9a-45e6-a322-bac4bbdcd079 | mp-36383 | 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 Ag3P2O8
_chemical_formula_sum "Ag3 P2 O8"
_cell_length_a 5.77171001
_cell_length_b 5.77170928
_cell_length_c 5.77171041
_cell_angle_alpha 83.23631156000002
_cell_angle_beta 83.23630576999999
_cell_angle_gamma 83.23629968
_space_gro... | data_image0
_chemical_formula_structural Ag2OP2OAgO6
_chemical_formula_sum "Ag3 O8 P2"
_cell_length_a 5.77171001
_cell_length_b 5.77170928
_cell_length_c 5.77171041
_cell_angle_alpha 83.23631156000002
_cell_angle_beta 83.23630576999999
_cell_angle_gamma 83.23629968
_space... |
SwapAtomsAction | 2bf82046-7a00-453b-a434-e7bfaae36c67 | mp-1218449 | Swap the spatial positions of atoms at indices 14 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural Sr2Ca5OIr2O4CaO7
_chemical_formula_sum "Sr2 Ca6 O12 Ir2"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_grou... |
SwapAtomsAction | 464daa4b-5f86-4cb5-8f34-97378dcb1f6d | mp-1246897 | 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 LuMg2Mn3S8
_chemical_formula_sum "Lu1 Mg2 Mn3 S8"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_space_g... | data_image0
_chemical_formula_structural SMg2Mn3S3LuS4
_chemical_formula_sum "S8 Mg2 Mn3 Lu1"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_spac... |
SwapAtomsAction | db146433-2b74-45e3-a011-890006dc84ac | mp-1522056 | 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 CaEuTiSnO6
_chemical_formula_sum "Ca1 Eu1 Ti1 Sn1 O6"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001... | data_image0
_chemical_formula_structural CaEuTiO6Sn
_chemical_formula_sum "Ca1 Eu1 Ti1 O6 Sn1"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001... |
SwapAtomsAction | 36cef327-3c3b-4a51-9d96-66680defefca | mp-777349 | Swap the spatial positions of atoms at indices 2 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... | data_image0
_chemical_formula_structural Mn2OMn3O2MnO3F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_sp... |
SwapAtomsAction | 16cb7b79-c09e-4a60-ad89-8cdd3a6faf30 | mp-694554 | Swap the spatial positions of atoms at indices 21 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn6P6OPO7PO20
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SwapAtomsAction | f39bc1e7-ca20-4bc9-84e3-613d9757c08c | mp-697807 | Swap the spatial positions of atoms at indices 13 and 35 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mn8P14O48
_chemical_formula_sum "Li2 Mn8 P14 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 105.6353... | data_image0
_chemical_formula_structural Li2Mn8P3OP10O11PO36
_chemical_formula_sum "Li2 Mn8 P14 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 1... |
SwapAtomsAction | 306da8b0-dee1-4e6b-847c-353c0c248bce | mp-676665 | Swap the spatial positions of atoms at indices 13 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... | data_image0
_chemical_formula_structural Ba8Ta4TiOZn2O6TiO17
_chemical_formula_sum "Ba8 Ta4 Ti2 O24 Zn2"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 7... |
SwapAtomsAction | 3d2f7422-1146-446b-8586-587e400b33ef | mp-2240405 | Swap the spatial positions of atoms at indices 4 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgMn2Ag2O6
_chemical_formula_sum "Mg1 Mn2 Ag2 O6"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_space... | data_image0
_chemical_formula_structural MgMn2AgO6Ag
_chemical_formula_sum "Mg1 Mn2 Ag2 O6"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_spac... |
SwapAtomsAction | 1bd8de25-e45a-4a68-a879-2d9d874b9487 | mp-573073 | Swap the spatial positions of atoms at indices 34 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs14Cu6FCu5F8CuF29
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SwapAtomsAction | 4a622857-3748-4153-9579-57e967734460 | mp-1217186 | 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 Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti3Sn2SSn3S11
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 4aa2aed5-02c6-4a38-ba84-4bfd5d1d19c5 | mp-1033422 | Swap the spatial positions of atoms at indices 13 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaMg6CO8
_chemical_formula_sum "Ba1 Mg6 C1 O8"
_cell_length_a 8.66532636
_cell_length_b 4.6564749
_cell_length_c 4.6564749
_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 BaMg3OMg2CO5MgO2
_chemical_formula_sum "Ba1 Mg6 O8 C1"
_cell_length_a 8.66532636
_cell_length_b 4.6564749
_cell_length_c 4.6564749
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 6ecb1def-f675-4e5a-aa35-68e0e5f585ff | mp-760055 | Swap the spatial positions of atoms at indices 1 and 50 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Mn3V3P6H6O30
_chemical_formula_sum "Li3 Mn3 V3 P6 H6 O30"
_cell_length_a 7.44397993
_cell_length_b 11.32063412
_cell_length_c 6.794345970000001
_cell_angle_alpha 73.04739999000002
_cell_angle_beta 88.85579793
_cell_angle_gamma 81... | data_image0
_chemical_formula_structural LiOLiMn3V3P6H6O29Li
_chemical_formula_sum "Li3 O30 Mn3 V3 P6 H6"
_cell_length_a 7.44397993
_cell_length_b 11.32063412
_cell_length_c 6.794345970000001
_cell_angle_alpha 73.04739999000002
_cell_angle_beta 88.85579793
_cell_angle_gamma ... |
SwapAtomsAction | d22ceae3-7f9f-42fa-a4e8-b7cada3532b6 | mp-1174755 | Swap the spatial positions of atoms at indices 0 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... | data_image0
_chemical_formula_structural OLi7Mn2Co4O10LiO3
_chemical_formula_sum "O14 Li8 Mn2 Co4"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_... |
SwapAtomsAction | 45fe3373-64c0-428b-826c-9b74dea00c31 | mp-1213037 | Swap the spatial positions of atoms at indices 0 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Li4As4
_chemical_formula_sum "K4 Li4 As4"
_cell_length_a 4.311587
_cell_length_b 12.867966
_cell_length_c 14.594449
_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 LiK3Li2KLiAs4
_chemical_formula_sum "Li4 K4 As4"
_cell_length_a 4.311587
_cell_length_b 12.867966
_cell_length_c 14.594449
_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 | 4aac9650-860b-4868-89f1-5878db8376fc | mp-2241517 | 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 MgTlV4O10
_chemical_formula_sum "Mg1 Tl1 V4 O10"
_cell_length_a 3.80973867
_cell_length_b 6.39254685
_cell_length_c 10.30154824
_cell_angle_alpha 99.21036911
_cell_angle_beta 90.08400635
_cell_angle_gamma 107.31590398
_space_group_... | data_image0
_chemical_formula_structural OTlV4O5MgO4
_chemical_formula_sum "O10 Tl1 V4 Mg1"
_cell_length_a 3.80973867
_cell_length_b 6.39254685
_cell_length_c 10.30154824
_cell_angle_alpha 99.21036911
_cell_angle_beta 90.08400635
_cell_angle_gamma 107.31590398
_space_grou... |
SwapAtomsAction | bf942d8a-2293-43c3-b656-257be87712b7 | mp-1200624 | Swap the spatial positions of atoms at indices 9 and 47 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4V6P8O40
_chemical_formula_sum "K4 V6 P8 O40"
_cell_length_a 6.274862
_cell_length_b 11.23261801
_cell_length_c 12.8555442
_cell_angle_alpha 106.62234945
_cell_angle_beta 103.09919050000002
_cell_angle_gamma 95.97454928
_space_gro... | data_image0
_chemical_formula_structural K4V5OP8O29VO10
_chemical_formula_sum "K4 V6 O40 P8"
_cell_length_a 6.274862
_cell_length_b 11.23261801
_cell_length_c 12.8555442
_cell_angle_alpha 106.62234945
_cell_angle_beta 103.09919050000002
_cell_angle_gamma 95.97454928
_spac... |
SwapAtomsAction | cd4a4bb6-e889-45af-b256-9caacefb8e55 | mp-2240560 | Swap the spatial positions of atoms at indices 0 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural TiMgCo2O6
_chemical_formula_sum "Ti1 Mg1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... |
SwapAtomsAction | bb70dbbb-2d9d-408c-9a0b-1361e4688d64 | mp-1213576 | Swap the spatial positions of atoms at indices 15 and 30 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... | data_image0
_chemical_formula_structural Cu15SNi2Sb6S6CuS19N12
_chemical_formula_sum "Cu16 S26 Ni2 Sb6 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_ang... |
SwapAtomsAction | 991c114d-6ddf-458a-85b4-27d44e4c0731 | mp-862656 | Swap the spatial positions of atoms at indices 2 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er5Al15
_chemical_formula_sum "Er5 Al15"
_cell_length_a 12.36137364
_cell_length_b 12.36137364
_cell_length_c 12.36137266
_cell_angle_alpha 28.216417780000004
_cell_angle_beta 28.216417780000004
_cell_angle_gamma 28.21641792
_space... | data_image0
_chemical_formula_structural Er2AlEr2Al5ErAl9
_chemical_formula_sum "Er5 Al15"
_cell_length_a 12.36137364
_cell_length_b 12.36137364
_cell_length_c 12.36137266
_cell_angle_alpha 28.216417780000004
_cell_angle_beta 28.216417780000004
_cell_angle_gamma 28.2164179... |
SwapAtomsAction | 47124b0c-2ff4-4027-a72f-cdf5ca8eb08f | mp-1304002 | Swap the spatial positions of atoms at indices 1 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural LiOLi6Ni6Bi2O11LiO4
_chemical_formula_sum "Li8 O16 Ni6 Bi2"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394... |
SwapAtomsAction | 50073897-e4ef-4228-b23d-7894643f8fef | mp-1520242 | 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 BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural BaOPrSeO5Na
_chemical_formula_sum "Ba1 O6 Pr1 Se1 Na1"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
SwapAtomsAction | c838973d-4a60-48e3-bee4-a7138caa2678 | mp-1200098 | Swap the spatial positions of atoms at indices 22 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ir4W4N20Cl4O16
_chemical_formula_sum "Ir4 W4 N20 Cl4 O16"
_cell_length_a 8.99499
_cell_length_b 9.214026
_cell_length_c 12.273695
_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 IrNIr2W4N14IrN5Cl4O16
_chemical_formula_sum "Ir4 N20 W4 Cl4 O16"
_cell_length_a 8.99499
_cell_length_b 9.214026
_cell_length_c 12.273695
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 3f2f769b-7c2a-427c-b62e-4cbf61e59729 | mp-23083 | 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 KAs4BrO6
_chemical_formula_sum "K1 As4 Br1 O6"
_cell_length_a 5.34714576
_cell_length_b 5.34714576
_cell_length_c 9.23111
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999706999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural KAs2BrAs2O6
_chemical_formula_sum "K1 As4 Br1 O6"
_cell_length_a 5.34714576
_cell_length_b 5.34714576
_cell_length_c 9.23111
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999706999999
_space_group_name_H-M_al... |
SwapAtomsAction | 8342296b-8f68-48d8-b2cf-ebe0e1429da5 | mp-753980 | Swap the spatial positions of atoms at indices 5 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn2TeWO12
_chemical_formula_sum "Li4 Mn2 Te1 W1 O12"
_cell_length_a 5.32417188
_cell_length_b 10.649467770000001
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gamma 57.026... | data_image0
_chemical_formula_structural Li4MnOTeWO5MnO6
_chemical_formula_sum "Li4 Mn2 O12 Te1 W1"
_cell_length_a 5.32417188
_cell_length_b 10.649467770000001
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gamma 57.... |
SwapAtomsAction | e07a4d9c-4b2b-4b68-a291-dfeaa3e3a830 | mp-759181 | Swap the spatial positions of atoms at indices 10 and 30 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn4P12O36
_chemical_formula_sum "Li4 Mn4 P12 O36"
_cell_length_a 5.393716
_cell_length_b 10.304873
_cell_length_c 11.742108
_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 Li4Mn4P2OP9O10PO25
_chemical_formula_sum "Li4 Mn4 P12 O36"
_cell_length_a 5.393716
_cell_length_b 10.304873
_cell_length_c 11.742108
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | c15ffed8-6560-463b-bd8c-6d3965831d65 | mp-1173106 | 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 Tb8Cu3Te16
_chemical_formula_sum "Tb8 Cu3 Te16"
_cell_length_a 12.54590591
_cell_length_b 9.86348697
_cell_length_c 8.132721389999999
_cell_angle_alpha 90.14494182
_cell_angle_beta 90.25875977
_cell_angle_gamma 50.522835230000005
_... | data_image0
_chemical_formula_structural Tb2CuTb5CuTbCuTe16
_chemical_formula_sum "Tb8 Cu3 Te16"
_cell_length_a 12.54590591
_cell_length_b 9.86348697
_cell_length_c 8.132721389999999
_cell_angle_alpha 90.14494182
_cell_angle_beta 90.25875977
_cell_angle_gamma 50.5228352300... |
SwapAtomsAction | a1514217-0513-42a3-906a-39293fc76b7f | mp-1931800 | Swap the spatial positions of atoms at indices 8 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn13Si2Sb2O28
_chemical_formula_sum "Mn13 Si2 Sb2 O28"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803492
_s... | data_image0
_chemical_formula_structural Mn8OMn4Si2Sb2O7MnO20
_chemical_formula_sum "Mn13 O28 Si2 Sb2"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803... |
SwapAtomsAction | bb9c44d7-282d-42fd-b4bb-816d55143992 | mp-680561 | Swap the spatial positions of atoms at indices 20 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U10Re6C16
_chemical_formula_sum "U10 Re6 C16"
_cell_length_a 11.40374963
_cell_length_b 11.40374963
_cell_length_c 3.28600681
_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 U7CU2Re6C4UC11
_chemical_formula_sum "U10 C16 Re6"
_cell_length_a 11.40374963
_cell_length_b 11.40374963
_cell_length_c 3.28600681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 40743920-7763-4b19-9019-8635150e008d | mp-1233814 | Swap the spatial positions of atoms at indices 6 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCr8P4O20
_chemical_formula_sum "Mg1 Cr8 P4 O20"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgCr5OCr2P4CrO19
_chemical_formula_sum "Mg1 Cr8 O20 P4"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SwapAtomsAction | f5a20c48-d1e8-4120-92aa-5859c70deafd | mp-758465 | Swap the spatial positions of atoms at indices 9 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Fe4Si4O16
_chemical_formula_sum "Li8 Fe4 Si4 O16"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li7Fe2LiFe2Si4O16
_chemical_formula_sum "Li8 Fe4 Si4 O16"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SwapAtomsAction | 2bba15d1-6124-4b90-92f5-4145c39a78cd | mp-25285 | 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 Mn4Ni2O12
_chemical_formula_sum "Mn4 Ni2 O12"
_cell_length_a 5.01128075
_cell_length_b 5.01128075
_cell_length_c 10.013213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.047743
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mn4NiO6NiO6
_chemical_formula_sum "Mn4 Ni2 O12"
_cell_length_a 5.01128075
_cell_length_b 5.01128075
_cell_length_c 10.013213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.047743
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 02009545-86cf-4d28-b494-0892fc80854f | mp-1191005 | 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 La2Br6O14
_chemical_formula_sum "La2 Br6 O14"
_cell_length_a 6.957924
_cell_length_b 7.62667087
_cell_length_c 7.97220483
_cell_angle_alpha 83.96742581
_cell_angle_beta 74.98027024000001
_cell_angle_gamma 89.21936135000001
_space_g... | data_image0
_chemical_formula_structural BrLa2Br5O14
_chemical_formula_sum "Br6 La2 O14"
_cell_length_a 6.957924
_cell_length_b 7.62667087
_cell_length_c 7.97220483
_cell_angle_alpha 83.96742581
_cell_angle_beta 74.98027024000001
_cell_angle_gamma 89.21936135000001
_space... |
SwapAtomsAction | 4719f149-f53b-4152-853a-bcc6a84260f5 | mp-26228 | Swap the spatial positions of atoms at indices 7 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... | data_image0
_chemical_formula_structural V4P3OP4O5PO22
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.383096... |
SwapAtomsAction | fe021f1e-a939-4232-8383-7a3989561c27 | mp-626835 | Swap the spatial positions of atoms at indices 0 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H16Pt2O12
_chemical_formula_sum "H16 Pt2 O12"
_cell_length_a 5.611497
_cell_length_b 5.72181583
_cell_length_c 7.35410691
_cell_angle_alpha 87.23899783
_cell_angle_beta 88.42011408
_cell_angle_gamma 81.50605689
_space_group_name_H-... | data_image0
_chemical_formula_structural OH15Pt2O6HO5
_chemical_formula_sum "O12 H16 Pt2"
_cell_length_a 5.611497
_cell_length_b 5.72181583
_cell_length_c 7.35410691
_cell_angle_alpha 87.23899783
_cell_angle_beta 88.42011408
_cell_angle_gamma 81.50605689
_space_group_name... |
SwapAtomsAction | d7122250-41e8-4d82-b452-197e66386a22 | mp-1034441 | Swap the spatial positions of atoms at indices 5 and 29 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_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 Mg5OMg8CrSnO13MgO2
_chemical_formula_sum "Mg14 O16 Cr1 Sn1"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 71f6bd36-ebb5-4015-9fa6-39523894edb3 | mp-1178408 | Swap the spatial positions of atoms at indices 14 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs8Hf2OHfO2HfO9
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_... |
SwapAtomsAction | 19cb1ed0-965e-46b1-890e-dbaa03744652 | mp-1207705 | 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 Tm4Rh4O12
_chemical_formula_sum "Tm4 Rh4 O12"
_cell_length_a 5.17444652
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_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 Tm2OTmRh4OTmO10
_chemical_formula_sum "Tm4 O12 Rh4"
_cell_length_a 5.17444652
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 76341975-1711-4a74-b69b-16f2b073241d | mp-1215346 | 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 Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr3Al3ZrAlCr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_a... |
SwapAtomsAction | cc798f5e-40e8-40cd-88ce-5db846659def | mp-614981 | 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 Ba2NdCu3O6
_chemical_formula_sum "Ba2 Nd1 Cu3 O6"
_cell_length_a 3.925227
_cell_length_b 3.925227
_cell_length_c 12.14195
_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 NdBa2Cu3O6
_chemical_formula_sum "Nd1 Ba2 Cu3 O6"
_cell_length_a 3.925227
_cell_length_b 3.925227
_cell_length_c 12.14195
_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 | 935192df-3ac8-4906-80ee-cbaa9f067381 | mp-1205450 | 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 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 SePu7Se11Pu
_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"
_sp... |
SwapAtomsAction | 64251124-5572-4232-929d-0683cc216712 | mp-1106129 | Swap the spatial positions of atoms at indices 13 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Bi4Te2Br2O9
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_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 OBi3Te2Br2O5BiO3
_chemical_formula_sum "O9 Bi4 Te2 Br2"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 322470e2-6e00-4e51-bf16-27ae6641ae88 | mp-625819 | Swap the spatial positions of atoms at indices 26 and 34 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H32N8O4
_chemical_formula_sum "H32 N8 O4"
_cell_length_a 9.055844
_cell_length_b 4.428801
_cell_length_c 10.73228277
_cell_angle_alpha 69.28359116
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural H26NH5N2HN5O4
_chemical_formula_sum "H32 N8 O4"
_cell_length_a 9.055844
_cell_length_b 4.428801
_cell_length_c 10.73228277
_cell_angle_alpha 69.28359116
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 0ab1151e-bc11-4ece-9116-61e45e4b721e | mp-30210 | 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 La10Sn6Cl2
_chemical_formula_sum "La10 Sn6 Cl2"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
_space_gr... | data_image0
_chemical_formula_structural La2SnLa7Sn2LaSn3Cl2
_chemical_formula_sum "La10 Sn6 Cl2"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
... |
SwapAtomsAction | a66be548-f46d-4e75-b2b1-615db80de15d | mp-758053 | 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 Nb2Cr2O8
_chemical_formula_sum "Nb2 Cr2 O8"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space_group... | data_image0
_chemical_formula_structural Nb2CrO2CrO6
_chemical_formula_sum "Nb2 Cr2 O8"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space_gr... |
SwapAtomsAction | effd7a71-0909-4157-b435-4751ec2eb8ab | mp-630329 | 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 Pb8Se8O24
_chemical_formula_sum "Pb8 Se8 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb3OPb4Se8O16PbO7
_chemical_formula_sum "Pb8 O24 Se8"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SwapAtomsAction | 72793337-d972-4134-887d-b54dd0c0b0c8 | mp-1110620 | Swap the spatial positions of atoms at indices 0 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural FNaTlCoF2NaF3
_chemical_formula_sum "F6 Na2 Tl1 Co1"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.9999995899... |
SwapAtomsAction | a0009fba-3ff4-4ed4-bae2-78777da549cd | mp-1206399 | 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 Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... | data_image0
_chemical_formula_structural RbClLiVCl5Rb
_chemical_formula_sum "Rb2 Cl6 Li1 V1"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_n... |
SwapAtomsAction | a909a0af-e100-4c6d-b67c-e40769f410dd | mp-1212002 | Swap the spatial positions of atoms at indices 30 and 74 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Er8Se16O64
_chemical_formula_sum "K8 Er8 Se16 O64"
_cell_length_a 5.692184
_cell_length_b 9.063673
_cell_length_c 27.753806
_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 K8Er8Se14OSeO42SeO21
_chemical_formula_sum "K8 Er8 Se16 O64"
_cell_length_a 5.692184
_cell_length_b 9.063673
_cell_length_c 27.753806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 4555dcba-5e73-45a8-bd2b-a5589aecbe00 | mp-557384 | Swap the spatial positions of atoms at indices 14 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4U4B8O28
_chemical_formula_sum "Mg4 U4 B8 O28"
_cell_length_a 7.393992
_cell_length_b 8.022988
_cell_length_c 9.876277
_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 Mg4U4B6OBO2BO25
_chemical_formula_sum "Mg4 U4 B8 O28"
_cell_length_a 7.393992
_cell_length_b 8.022988
_cell_length_c 9.876277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | 098506a4-64b0-4708-9724-3b8b8db0c221 | mp-755275 | Swap the spatial positions of atoms at indices 3 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Fe2Ni2O8
_chemical_formula_sum "Li2 Fe2 Ni2 O8"
_cell_length_a 5.94280347
_cell_length_b 5.94280347
_cell_length_c 5.94280347
_cell_angle_alpha 123.09092136
_cell_angle_beta 122.20304436000002
_cell_angle_gamma 85.47520821000002
... | data_image0
_chemical_formula_structural Li2FeONi2O4FeO3
_chemical_formula_sum "Li2 Fe2 O8 Ni2"
_cell_length_a 5.94280347
_cell_length_b 5.94280347
_cell_length_c 5.94280347
_cell_angle_alpha 123.09092136
_cell_angle_beta 122.20304436000002
_cell_angle_gamma 85.47520821000... |
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