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 | 507746f0-3549-4f12-a3c4-08f459aa86ee | mp-754739 | Swap the spatial positions of atoms at indices 7 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Be6O8
_chemical_formula_sum "Ca2 Be6 O8"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca2Be5O8Be
_chemical_formula_sum "Ca2 Be6 O8"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | e10e239e-15fb-4c26-928d-27b15a03fdb9 | mp-560553 | Swap the spatial positions of atoms at indices 22 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ir4F24
_chemical_formula_sum "Ir4 F24"
_cell_length_a 4.92921834
_cell_length_b 8.50097651
_cell_length_c 9.30116834
_cell_angle_alpha 90.0
_cell_angle_beta 90.00008776
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ir2FIrF18IrF5
_chemical_formula_sum "Ir4 F24"
_cell_length_a 4.92921834
_cell_length_b 8.50097651
_cell_length_c 9.30116834
_cell_angle_alpha 90.0
_cell_angle_beta 90.00008776
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 3e97951e-af48-42d4-8617-807ff8508edf | mp-1105157 | Swap the spatial positions of atoms at indices 7 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2Nd2Mn2W2O12
_chemical_formula_sum "Rb2 Nd2 Mn2 W2 O12"
_cell_length_a 5.56756288
_cell_length_b 5.674125
_cell_length_c 9.62267506
_cell_angle_alpha 90.0
_cell_angle_beta 92.0812184
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rb2Nd2Mn2WO8WO4
_chemical_formula_sum "Rb2 Nd2 Mn2 W2 O12"
_cell_length_a 5.56756288
_cell_length_b 5.674125
_cell_length_c 9.62267506
_cell_angle_alpha 90.0
_cell_angle_beta 92.0812184
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SwapAtomsAction | 8b7fd8bc-24af-4746-9215-ba4e4a43a281 | mp-18973 | 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 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 CoSeCo2Se6CoSeO20
_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 89.991810... |
SwapAtomsAction | ee277fc5-ef5f-4d34-93da-a5418e60dc93 | mp-1245851 | Swap the spatial positions of atoms at indices 5 and 38 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca28Cr4N24
_chemical_formula_sum "Ca28 Cr4 N24"
_cell_length_a 11.037586
_cell_length_b 6.251168
_cell_length_c 12.978754
_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 Ca5NCa22Cr4N6CaN17
_chemical_formula_sum "Ca28 N24 Cr4"
_cell_length_a 11.037586
_cell_length_b 6.251168
_cell_length_c 12.978754
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | a41ae180-4060-4104-93c1-fcab2fbba197 | mp-1205514 | Swap the spatial positions of atoms at indices 2 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2PuTaO6
_chemical_formula_sum "Ba2 Pu1 Ta1 O6"
_cell_length_a 6.10192281
_cell_length_b 6.10192281
_cell_length_c 6.10192281
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Ba2TaPuO6
_chemical_formula_sum "Ba2 Ta1 Pu1 O6"
_cell_length_a 6.10192281
_cell_length_b 6.10192281
_cell_length_c 6.10192281
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... |
SwapAtomsAction | bd59e1f0-ad40-49f7-9104-5bf9c69307c9 | mp-1073481 | Swap the spatial positions of atoms at indices 2 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
_space... | data_image0
_chemical_formula_structural Mg2SiMgSi7Mg
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
... |
SwapAtomsAction | 5e4010b3-8e2e-465a-aa3f-3a1c935adcb9 | mp-1192994 | Swap the spatial positions of atoms at indices 5 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce6Al2V2S14
_chemical_formula_sum "Ce6 Al2 V2 S14"
_cell_length_a 10.01783423
_cell_length_b 10.01783423
_cell_length_c 5.998724
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000151999997
_space_group_name_H-... | data_image0
_chemical_formula_structural Ce5SAl2V2S6CeS7
_chemical_formula_sum "Ce6 S14 Al2 V2"
_cell_length_a 10.01783423
_cell_length_b 10.01783423
_cell_length_c 5.998724
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000151999997
_space_group_nam... |
SwapAtomsAction | 6abe6352-f889-4ea7-b99d-d65e042f96bd | mp-28507 | Swap the spatial positions of atoms at indices 35 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La16SNb13S5NbS38
_chemical_formula_sum "La16 S44 Nb14"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_... |
SwapAtomsAction | 3ac28fa9-8610-4120-b503-71c36e408db4 | mp-1204890 | Swap the spatial positions of atoms at indices 28 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr4N8O36
_chemical_formula_sum "Zr4 N8 O36"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space_group... | data_image0
_chemical_formula_structural Zr4N4ON3O16NO19
_chemical_formula_sum "Zr4 N8 O36"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_spac... |
SwapAtomsAction | e85e12f1-3c27-44cc-ab56-2dc76253a77f | mp-1203353 | Swap the spatial positions of atoms at indices 21 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr20Pb16
_chemical_formula_sum "Sr20 Pb16"
_cell_length_a 8.615907
_cell_length_b 9.02643
_cell_length_c 17.707516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... | data_image0
_chemical_formula_structural Sr9PbSr10PbSrPb14
_chemical_formula_sum "Sr20 Pb16"
_cell_length_a 8.615907
_cell_length_b 9.02643
_cell_length_c 17.707516
_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 | ae7987c9-bcc2-453b-9d4d-448564507e70 | mp-1204185 | Swap the spatial positions of atoms at indices 46 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag12Te8W6O40
_chemical_formula_sum "Ag12 Te8 W6 O40"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... | data_image0
_chemical_formula_structural AgOAg10Te8W6O20AgO19
_chemical_formula_sum "Ag12 O40 Te8 W6"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.38658427999... |
SwapAtomsAction | 69904c3d-fbd6-42c3-80d1-da5149c87a93 | mp-1235162 | 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 Ba2LiMn2O6
_chemical_formula_sum "Ba2 Li1 Mn2 O6"
_cell_length_a 6.24510184
_cell_length_b 5.64433747
_cell_length_c 5.25809243
_cell_angle_alpha 90.14061303000001
_cell_angle_beta 74.55834042
_cell_angle_gamma 116.96833983000002
_... | data_image0
_chemical_formula_structural Ba2OMn2O5Li
_chemical_formula_sum "Ba2 O6 Mn2 Li1"
_cell_length_a 6.24510184
_cell_length_b 5.64433747
_cell_length_c 5.25809243
_cell_angle_alpha 90.14061303000001
_cell_angle_beta 74.55834042
_cell_angle_gamma 116.96833983000002
... |
SwapAtomsAction | 7fcfd45a-58d4-4165-91f0-ea5e552e1e30 | mp-1197546 | Swap the spatial positions of atoms at indices 6 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Cu4As4O20
_chemical_formula_sum "Ca4 Cu4 As4 O20"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_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 Ca4Cu2OCuAs4O15CuO4
_chemical_formula_sum "Ca4 Cu4 O20 As4"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 31107021-96de-452f-9665-364db0e52745 | mp-886625 | Swap the spatial positions of atoms at indices 1 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5Ni5O10
_chemical_formula_sum "Li5 Ni5 O10"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group_name_... | data_image0
_chemical_formula_structural LiOLi3Ni5O5LiO4
_chemical_formula_sum "Li5 O10 Ni5"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group... |
SwapAtomsAction | 3856a8c3-7515-401c-b0c0-03e3831cae53 | mp-672679 | Swap the spatial positions of atoms at indices 13 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y16In4Ir4
_chemical_formula_sum "Y16 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... | data_image0
_chemical_formula_structural Y13IrY2In4Ir3Y
_chemical_formula_sum "Y16 Ir4 In4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
... |
SwapAtomsAction | e7aaf859-6807-4a85-aac0-c34e427b891e | mp-1209251 | Swap the spatial positions of atoms at indices 2 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural RbAlSe2O8
_chemical_formula_sum "Rb1 Al1 Se2 O8"
_cell_length_a 5.09350549
_cell_length_b 5.09350549
_cell_length_c 8.914435
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999336
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural RbAlOSe2O7
_chemical_formula_sum "Rb1 Al1 O8 Se2"
_cell_length_a 5.09350549
_cell_length_b 5.09350549
_cell_length_c 8.914435
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999336
_space_group_name_H-M_alt ... |
SwapAtomsAction | 3225c799-ae8f-4812-94bf-0e9756c183e1 | mp-14794 | Swap the spatial positions of atoms at indices 11 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K12Co2S8
_chemical_formula_sum "K12 Co2 S8"
_cell_length_a 9.80833811
_cell_length_b 9.80833811
_cell_length_c 7.717331
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000071999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K11SCo2KS7
_chemical_formula_sum "K12 S8 Co2"
_cell_length_a 9.80833811
_cell_length_b 9.80833811
_cell_length_c 7.717331
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000071999999
_space_group_name_H-M_alt ... |
SwapAtomsAction | e65aef7e-8805-4393-804e-a1d973f2b515 | mp-1245942 | Swap the spatial positions of atoms at indices 9 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn4Pb2N4
_chemical_formula_sum "Mn4 Pb2 N4"
_cell_length_a 6.18375855
_cell_length_b 6.19351817
_cell_length_c 8.73133051
_cell_angle_alpha 89.99999556
_cell_angle_beta 45.09050543000001
_cell_angle_gamma 59.94776901
_space_group_n... | data_image0
_chemical_formula_structural Mn3NPb2N3Mn
_chemical_formula_sum "Mn4 N4 Pb2"
_cell_length_a 6.18375855
_cell_length_b 6.19351817
_cell_length_c 8.73133051
_cell_angle_alpha 89.99999556
_cell_angle_beta 45.09050543000001
_cell_angle_gamma 59.94776901
_space_grou... |
SwapAtomsAction | dcbb5e42-6318-4463-aed6-5353db5108c0 | mp-1213955 | Swap the spatial positions of atoms at indices 1 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_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 CdNCd2N3CdO20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_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 | 42f5ea3e-8eb5-416a-99f5-6839f77120d0 | mp-29778 | Swap the spatial positions of atoms at indices 7 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd8Ge14
_chemical_formula_sum "Nd8 Ge14"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd7Ge5NdGe9
_chemical_formula_sum "Nd8 Ge14"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt... |
SwapAtomsAction | 3e059e69-7fb3-4964-b3da-69cbe612d28a | mp-16811 | Swap the spatial positions of atoms at indices 5 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho8Mo4O24
_chemical_formula_sum "Ho8 Mo4 O24"
_cell_length_a 9.82081783
_cell_length_b 9.82081783
_cell_length_c 5.31611533
_cell_angle_alpha 74.81329250999998
_cell_angle_beta 74.81329250999998
_cell_angle_gamma 67.88044095
_space... | data_image0
_chemical_formula_structural Ho5OHo2Mo4O15HoO8
_chemical_formula_sum "Ho8 O24 Mo4"
_cell_length_a 9.82081783
_cell_length_b 9.82081783
_cell_length_c 5.31611533
_cell_angle_alpha 74.81329250999998
_cell_angle_beta 74.81329250999998
_cell_angle_gamma 67.88044095... |
SwapAtomsAction | da2cdc1b-d6c3-4f36-8645-b23bcb6deb75 | mp-1373426 | Swap the spatial positions of atoms at indices 4 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Ta2V2O12
_chemical_formula_sum "Ca4 Ta2 V2 O12"
_cell_length_a 7.75294
_cell_length_b 5.492636
_cell_length_c 5.676088649999999
_cell_angle_alpha 89.86543361
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca2TaCa2TaV2O12
_chemical_formula_sum "Ca4 Ta2 V2 O12"
_cell_length_a 7.75294
_cell_length_b 5.492636
_cell_length_c 5.676088649999999
_cell_angle_alpha 89.86543361
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SwapAtomsAction | 1f6d9df1-9511-43e0-a110-931fde4708c5 | mp-777558 | Swap the spatial positions of atoms at indices 88 and 40 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li32Ti3Cr13O48
_chemical_formula_sum "Li32 Ti3 Cr13 O48"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_space_g... | data_image0
_chemical_formula_structural Li32Ti3Cr5OCr7O40CrO7
_chemical_formula_sum "Li32 Ti3 Cr13 O48"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_... |
SwapAtomsAction | cccc8c5a-18d8-4915-adef-f64c4dc8119c | mp-556173 | Swap the spatial positions of atoms at indices 49 and 35 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F12
_chemical_formula_sum "Zn1 As2 C6 S12 N12 O6 F12"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000365999... | data_image0
_chemical_formula_structural ZnAs2C6S12N12O2FO3F10OF
_chemical_formula_sum "Zn1 As2 C6 S12 N12 O6 F12"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000003... |
SwapAtomsAction | 5ab40998-4d79-48c6-b544-59466f6b4a9c | mp-28263 | Swap the spatial positions of atoms at indices 17 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4H12O8
_chemical_formula_sum "K4 H12 O8"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural K4H11O2HO6
_chemical_formula_sum "K4 H12 O8"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | 62fbe404-4a4d-4f85-914d-81d5f6621a32 | mp-1217519 | Swap the spatial positions of atoms at indices 6 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Th2V4Pb2O16
_chemical_formula_sum "Th2 V4 Pb2 O16"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... | data_image0
_chemical_formula_structural Th2V4OPbO4PbO11
_chemical_formula_sum "Th2 V4 O16 Pb2"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_sp... |
SwapAtomsAction | 1f593a47-af0a-4499-8032-7e4bf62381d1 | mp-1106213 | Swap the spatial positions of atoms at indices 4 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4Mg2Ir2O12
_chemical_formula_sum "Nd4 Mg2 Ir2 O12"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd4OMgIr2O3MgO8
_chemical_formula_sum "Nd4 O12 Mg2 Ir2"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 7254141e-2779-405e-8663-2ed46d75192f | mp-1247447 | Swap the spatial positions of atoms at indices 0 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2Sc3MnS8
_chemical_formula_sum "Mg2 Sc3 Mn1 S8"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_space_... | data_image0
_chemical_formula_structural MnMgSc3MgS8
_chemical_formula_sum "Mn1 Mg2 Sc3 S8"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_space... |
SwapAtomsAction | e256a562-8c20-43fe-9a15-7c023d81208c | mp-1210947 | Swap the spatial positions of atoms at indices 10 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural OLuAg2W4O2LuO13
_chemical_formula_sum "O16 Lu2 Ag2 W4"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_spa... |
SwapAtomsAction | c5ae27b1-2698-42fa-a121-873bc3a58533 | mp-1205853 | Swap the spatial positions of atoms at indices 8 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_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 Nd4AuInAu2InAu
_chemical_formula_sum "Nd4 Au4 In2"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | a5bdbffc-c353-4010-b185-6cd61c5b5318 | mp-1235023 | 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 LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... | data_image0
_chemical_formula_structural LiOZnFe4O4ZnO3
_chemical_formula_sum "Li1 O8 Zn2 Fe4"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.26670332... |
SwapAtomsAction | c8fa8d5a-58e5-4da6-a3b9-a2b9a568ec86 | mp-1228731 | Swap the spatial positions of atoms at indices 41 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O32"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.11374492
... | data_image0
_chemical_formula_structural Ba2OLi2La3Mo8O25LiO6
_chemical_formula_sum "Ba2 O32 Li3 La3 Mo8"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.11374... |
SwapAtomsAction | 889f1ac7-adb2-4b61-9cf1-8e19653e32aa | mp-2241183 | Swap the spatial positions of atoms at indices 3 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgNb3SiO10
_chemical_formula_sum "Mg1 Nb3 Si1 O10"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002... | data_image0
_chemical_formula_structural Nb3MgSiO10
_chemical_formula_sum "Nb3 Mg1 Si1 O10"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002... |
SwapAtomsAction | 7ca1d1f7-0c73-4f5f-a26f-c354cf0a6930 | mp-1522797 | 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 BaTiNbGaO6
_chemical_formula_sum "Ba1 Ti1 Nb1 Ga1 O6"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... | data_image0
_chemical_formula_structural BaTiOGaO4NbO
_chemical_formula_sum "Ba1 Ti1 O6 Ga1 Nb1"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.000000... |
SwapAtomsAction | bfe17b61-e049-4bc1-8fb7-f812cad318e7 | mp-1245775 | Swap the spatial positions of atoms at indices 30 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr12Ta8N16
_chemical_formula_sum "Sr12 Ta8 N16"
_cell_length_a 6.158844
_cell_length_b 10.799599
_cell_length_c 10.015613
_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 Sr9NSr2Ta8N10SrN5
_chemical_formula_sum "Sr12 N16 Ta8"
_cell_length_a 6.158844
_cell_length_b 10.799599
_cell_length_c 10.015613
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | 9665e628-f83a-43c1-9a11-e09365551872 | mp-2220668 | Swap the spatial positions of atoms at indices 5 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2MgTi6N2O11
_chemical_formula_sum "Sr2 Mg1 Ti6 N2 O11"
_cell_length_a 3.80235431
_cell_length_b 7.998764460000001
_cell_length_c 10.69973714
_cell_angle_alpha 72.97223192
_cell_angle_beta 89.99766364
_cell_angle_gamma 76.25787147
... | data_image0
_chemical_formula_structural TiSrMgTi2SrTi3N2O11
_chemical_formula_sum "Ti6 Sr2 Mg1 N2 O11"
_cell_length_a 3.80235431
_cell_length_b 7.998764460000001
_cell_length_c 10.69973714
_cell_angle_alpha 72.97223192
_cell_angle_beta 89.99766364
_cell_angle_gamma 76.257... |
SwapAtomsAction | 3ca597f4-57d6-48a1-b77e-612f4badfce4 | mp-758878 | Swap the spatial positions of atoms at indices 3 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... | data_image0
_chemical_formula_structural Li3FFe7O3F6FeF6
_chemical_formula_sum "Li3 F13 Fe8 O3"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.37014012999... |
SwapAtomsAction | a44444f4-aabf-405e-a446-6d56d1d52bae | mp-1175561 | Swap the spatial positions of atoms at indices 14 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.101485
_cell_length_b 5.872855
_cell_length_c 10.069959919999999
_cell_angle_alpha 105.5057263
_cell_angle_beta 100.71809932000001
_cell_angle_gamma 90.36779529
... | data_image0
_chemical_formula_structural Li6CoLi2Mn2Co3LiCoO16
_chemical_formula_sum "Li9 Co5 Mn2 O16"
_cell_length_a 5.101485
_cell_length_b 5.872855
_cell_length_c 10.069959919999999
_cell_angle_alpha 105.5057263
_cell_angle_beta 100.71809932000001
_cell_angle_gamma 90.3... |
SwapAtomsAction | e9f9d727-5967-4783-b259-e2be95c76259 | mp-1746 | 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 Mg4F8
_chemical_formula_sum "Mg4 F8"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_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_num... | data_image0
_chemical_formula_structural Mg2FMgF5MgF2
_chemical_formula_sum "Mg4 F8"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_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 | 1e89f994-c8e9-45ed-8ff5-1fd34cea8fdb | mp-1223525 | Swap the spatial positions of atoms at indices 9 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KLa7Cu4O16
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... | data_image0
_chemical_formula_structural KLa7CuOCu2O12CuO3
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.... |
SwapAtomsAction | badf046b-b5ba-47af-8140-f44753afe5e3 | mp-1110869 | Swap the spatial positions of atoms at indices 2 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2LiBiCl6
_chemical_formula_sum "K2 Li1 Bi1 Cl6"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2ClBiCl3LiCl2
_chemical_formula_sum "K2 Cl6 Bi1 Li1"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
SwapAtomsAction | 472678be-a7ce-4676-a870-a2c98c6fcb30 | mp-541646 | Swap the spatial positions of atoms at indices 21 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs6Ru4Cl18
_chemical_formula_sum "Cs6 Ru4 Cl18"
_cell_length_a 7.32403622
_cell_length_b 7.32402811
_cell_length_c 17.73420393
_cell_angle_alpha 89.99982571
_cell_angle_beta 90.00021655999998
_cell_angle_gamma 120.00020056
_space_g... | data_image0
_chemical_formula_structural Cs5ClRu4Cl11CsCl6
_chemical_formula_sum "Cs6 Cl18 Ru4"
_cell_length_a 7.32403622
_cell_length_b 7.32402811
_cell_length_c 17.73420393
_cell_angle_alpha 89.99982571
_cell_angle_beta 90.00021655999998
_cell_angle_gamma 120.00020056
_... |
SwapAtomsAction | 62760800-d923-4fe1-b630-6ac1bc272d03 | mp-1227353 | Swap the spatial positions of atoms at indices 6 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce4Ni2Sn4Pt2
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_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 Ce2SnCeNi2CeSn3Pt2
_chemical_formula_sum "Ce4 Sn4 Ni2 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 95bfaabb-6aba-4d35-9384-f1eec6a9e895 | mp-26157 | 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 Li4Sb4P16O48
_chemical_formula_sum "Li4 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural LiOLi2Sb4P16O16LiO31
_chemical_formula_sum "Li4 O48 Sb4 P16"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SwapAtomsAction | f650d91b-01ef-4317-895c-d60ef9c493fb | mp-1520897 | Swap the spatial positions of atoms at indices 0 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2CrBiO6
_chemical_formula_sum "Sr2 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural OSrCrBiO3SrO2
_chemical_formula_sum "O6 Sr2 Cr1 Bi1"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... |
SwapAtomsAction | 495d4983-14ac-4df7-91ca-0209634b972b | mp-755481 | Swap the spatial positions of atoms at indices 4 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Cl4O12
_chemical_formula_sum "Ca2 Cl4 O12"
_cell_length_a 6.71155429
_cell_length_b 6.711554289999999
_cell_length_c 7.68956939
_cell_angle_alpha 58.98193461999998
_cell_angle_beta 58.98193461999998
_cell_angle_gamma 67.75361514
... | data_image0
_chemical_formula_structural Ca2Cl2OClO10ClO
_chemical_formula_sum "Ca2 Cl4 O12"
_cell_length_a 6.71155429
_cell_length_b 6.711554289999999
_cell_length_c 7.68956939
_cell_angle_alpha 58.98193461999998
_cell_angle_beta 58.98193461999998
_cell_angle_gamma 67.753... |
SwapAtomsAction | feff8c6a-a212-49f8-b2f3-3c06b7afbd62 | mp-781738 | Swap the spatial positions of atoms at indices 13 and 38 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na12VOV2B8S2O12VO19
_chemical_formula_sum "Na12 V4 O32 B8 S2"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.... |
SwapAtomsAction | 97290bd3-34dd-4334-94ef-c4b8820b43d1 | mp-2227841 | Swap the spatial positions of atoms at indices 1 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm2MgV2O8
_chemical_formula_sum "Tm2 Mg1 V2 O8"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_space_... | data_image0
_chemical_formula_structural TmOMgV2O3TmO4
_chemical_formula_sum "Tm2 O8 Mg1 V2"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_sp... |
SwapAtomsAction | 8713c08f-7f13-42ae-8550-e17c7210e6fc | mp-1027815 | Swap the spatial positions of atoms at indices 0 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Mg3KMg11Co
_chemical_formula_sum "Mg14 K1 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt ... |
SwapAtomsAction | af46f322-3a9c-4779-bfab-ac7e86da43dd | mp-1021697 | Swap the spatial positions of atoms at indices 11 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg12Ti2V2
_chemical_formula_sum "Mg12 Ti2 V2"
_cell_length_a 5.016739
_cell_length_b 6.090405
_cell_length_c 10.871319
_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 Mg11Ti2MgV2
_chemical_formula_sum "Mg12 Ti2 V2"
_cell_length_a 5.016739
_cell_length_b 6.090405
_cell_length_c 10.871319
_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 | 88c45850-9c22-43bb-a5e0-11ed250243cc | mp-1202826 | Swap the spatial positions of atoms at indices 24 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd8U4S20
_chemical_formula_sum "Gd8 U4 S20"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_space_g... | data_image0
_chemical_formula_structural Gd6SGdU4S12GdS7
_chemical_formula_sum "Gd8 S20 U4"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_... |
SwapAtomsAction | efd78395-49f9-441e-9594-d47e50deae0d | mp-1041071 | Swap the spatial positions of atoms at indices 11 and 34 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Co8P8O32
_chemical_formula_sum "Mg4 Co8 P8 O32"
_cell_length_a 8.79836301
_cell_length_b 8.79836301
_cell_length_c 16.47690147
_cell_angle_alpha 60.88531827999999
_cell_angle_beta 60.88531827999999
_cell_angle_gamma 33.5818560400... | data_image0
_chemical_formula_structural Mg4Co7OP8O14CoO17
_chemical_formula_sum "Mg4 Co8 O32 P8"
_cell_length_a 8.79836301
_cell_length_b 8.79836301
_cell_length_c 16.47690147
_cell_angle_alpha 60.88531827999999
_cell_angle_beta 60.88531827999999
_cell_angle_gamma 33.5818... |
SwapAtomsAction | 388ca88d-425a-424f-9665-dfbc01157201 | mp-1105286 | 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 Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... | data_image0
_chemical_formula_structural Eu2PdEu7Pd5
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_... |
SwapAtomsAction | 9d9bcbd5-3e57-4cc3-ac34-146d3ce52db1 | mp-557500 | Swap the spatial positions of atoms at indices 3 and 5 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 LiNiPS2PS4
_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_g... |
SwapAtomsAction | d4ca1d7f-2aee-4e2d-8ba3-469e4d008c77 | mp-2230050 | 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 MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335
_spa... | data_image0
_chemical_formula_structural MgFe3OFe2O3FeO2F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.358573... |
SwapAtomsAction | 51c5e6a7-4766-43ca-92bf-37fb10e73504 | mp-1034797 | Swap the spatial positions of atoms at indices 16 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 RbNaMg12OMg2O14
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 03ce89b0-a923-46b5-b325-2cfb4251b4df | mp-1026435 | Swap the spatial positions of atoms at indices 6 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg6TiMg8Mo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_a... |
SwapAtomsAction | 61ff1f67-28e1-4652-9009-1c1c910c26a0 | mp-1276479 | Swap the spatial positions of atoms at indices 23 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Ni10O12
_chemical_formula_sum "Na2 Ni10 O12"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.34237754000002
_s... | data_image0
_chemical_formula_structural Na2Ni5ONi4O11Ni
_chemical_formula_sum "Na2 Ni10 O12"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.3423775400000... |
SwapAtomsAction | e8cccf3a-5228-4101-8aaf-9c97dcc11e44 | mp-28088 | Swap the spatial positions of atoms at indices 24 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca10Al4Bi12
_chemical_formula_sum "Ca10 Al4 Bi12"
_cell_length_a 4.587922
_cell_length_b 7.587673
_cell_length_c 23.580293
_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 Ca5BiCa4Al4Bi10CaBi
_chemical_formula_sum "Ca10 Bi12 Al4"
_cell_length_a 4.587922
_cell_length_b 7.587673
_cell_length_c 23.580293
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 07af6eda-2820-4d3a-ad37-407998b297e5 | mp-551214 | Swap the spatial positions of atoms at indices 5 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ce2Cr2S4O2
_chemical_formula_sum "Ce2 Cr2 S4 O2"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960999999... | data_image0
_chemical_formula_structural CeSCr2SCeS2O2
_chemical_formula_sum "Ce2 S4 Cr2 O2"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960999... |
SwapAtomsAction | 00fd600a-38da-4b01-93f4-a2736c3518f6 | mp-1195405 | Swap the spatial positions of atoms at indices 12 and 33 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho4Mn4Cu16P12
_chemical_formula_sum "Ho4 Mn4 Cu16 P12"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_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 Ho4Mn4Cu4PCu11P9CuP2
_chemical_formula_sum "Ho4 Mn4 Cu16 P12"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 7b848e5a-51d3-4eeb-bd92-7e62dd7a287d | mp-1226187 | Swap the spatial positions of atoms at indices 13 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs3Rb5Se4O16
_chemical_formula_sum "Cs3 Rb5 Se4 O16"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs3Rb5SeOSe2OSeO14
_chemical_formula_sum "Cs3 Rb5 Se4 O16"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SwapAtomsAction | aecc8195-0c9f-4002-be6f-640bd948fa9c | mp-1173945 | Swap the spatial positions of atoms at indices 13 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Mn4O10
_chemical_formula_sum "Li6 Mn4 O10"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_space_gro... | data_image0
_chemical_formula_structural Li5OMn4O3LiO6
_chemical_formula_sum "Li6 O10 Mn4"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_space... |
SwapAtomsAction | 5446df25-318c-4302-a7ed-ca76c9ff097b | mp-1095566 | 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 La2Co8B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural LaCo6LaCo2B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt... |
SwapAtomsAction | 0e5e46f1-cfc0-47f1-bd67-a3c0f0053c6c | mp-1208738 | Swap the spatial positions of atoms at indices 15 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb12Ni6Pb
_chemical_formula_sum "Tb12 Ni6 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Tb4NiTb7Ni3TbNi2Pb
_chemical_formula_sum "Tb12 Ni6 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_spac... |
SwapAtomsAction | 529ba19f-20de-462d-a6ec-e478afe0bcb0 | mp-760194 | Swap the spatial positions of atoms at indices 54 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V8F48
_chemical_formula_sum "Li8 V8 F48"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li8V7F39VF9
_chemical_formula_sum "Li8 V8 F48"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 0002f2ed-f795-4114-9ac4-e61e200b6bbc | mp-776000 | Swap the spatial positions of atoms at indices 25 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti3Mn2SbP6O24
_chemical_formula_sum "Ti3 Mn2 Sb1 P6 O24"
_cell_length_a 8.7677868
_cell_length_b 8.7677868
_cell_length_c 8.76778687
_cell_angle_alpha 60.14399787999999
_cell_angle_beta 60.14399787999999
_cell_angle_gamma 60.1440039... | data_image0
_chemical_formula_structural Ti3Mn2SbP2OP3O13PO10
_chemical_formula_sum "Ti3 Mn2 Sb1 P6 O24"
_cell_length_a 8.7677868
_cell_length_b 8.7677868
_cell_length_c 8.76778687
_cell_angle_alpha 60.14399787999999
_cell_angle_beta 60.14399787999999
_cell_angle_gamma 60.... |
SwapAtomsAction | 1ea50551-302b-44da-90a1-d0119ddb7105 | mp-556656 | Swap the spatial positions of atoms at indices 14 and 92 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn12B28Cl4O52
_chemical_formula_sum "Mn12 B28 Cl4 O52"
_cell_length_a 8.77641
_cell_length_b 8.778342
_cell_length_c 12.431005
_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 Mn12B2OB25Cl4O48BO3
_chemical_formula_sum "Mn12 B28 O52 Cl4"
_cell_length_a 8.77641
_cell_length_b 8.778342
_cell_length_c 12.431005
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | d11a8684-9d14-47f6-87a0-d9687a99f49f | mp-673174 | Swap the spatial positions of atoms at indices 28 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... | data_image0
_chemical_formula_structural Fe18NFe5N4FeN4
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999... |
SwapAtomsAction | b7fa4a9e-b743-4292-a84a-c35aef3b6fec | mp-640383 | 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 Ho20Ni4Sb8
_chemical_formula_sum "Ho20 Ni4 Sb8"
_cell_length_a 7.90777468
_cell_length_b 8.69236289
_cell_length_c 12.08376576
_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 Ho5NiHo14NiHoNi2Sb8
_chemical_formula_sum "Ho20 Ni4 Sb8"
_cell_length_a 7.90777468
_cell_length_b 8.69236289
_cell_length_c 12.08376576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 5b4e1713-2178-4877-a916-23b5b6f5432f | mp-1224597 | Swap the spatial positions of atoms at indices 3 and 35 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Nb8As8O44
_chemical_formula_sum "K8 Nb8 As8 O44"
_cell_length_a 10.52112835
_cell_length_b 10.01505432
_cell_length_c 10.36661248
_cell_angle_alpha 83.00976495
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K3OK4Nb8As8O11KO32
_chemical_formula_sum "K8 O44 Nb8 As8"
_cell_length_a 10.52112835
_cell_length_b 10.01505432
_cell_length_c 10.36661248
_cell_angle_alpha 83.00976495
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SwapAtomsAction | 6c793adc-aa30-40cd-80fb-1810ebfc352c | mp-557081 | Swap the spatial positions of atoms at indices 57 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba14Cr14O42
_chemical_formula_sum "Ba14 Cr14 O42"
_cell_length_a 5.74069414
_cell_length_b 5.74069414
_cell_length_c 32.846124
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000016
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural OBa13Cr14O29BaO12
_chemical_formula_sum "O42 Ba14 Cr14"
_cell_length_a 5.74069414
_cell_length_b 5.74069414
_cell_length_c 32.846124
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000016
_space_group_name_H-M_a... |
SwapAtomsAction | 0867fcae-3d20-4bd9-922d-40df6859c060 | mp-1202797 | Swap the spatial positions of atoms at indices 32 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag4H24C6S6Br4N12
_chemical_formula_sum "Ag4 H24 C6 S6 Br4 N12"
_cell_length_a 4.442491
_cell_length_b 8.407144
_cell_length_c 22.01302039
_cell_angle_alpha 90.0
_cell_angle_beta 101.07856111
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ag4H15CH8C4HCS6Br4N12
_chemical_formula_sum "Ag4 H24 C6 S6 Br4 N12"
_cell_length_a 4.442491
_cell_length_b 8.407144
_cell_length_c 22.01302039
_cell_angle_alpha 90.0
_cell_angle_beta 101.07856111
_cell_angle_gamma 90.0
_space_group... |
SwapAtomsAction | edbe4eb5-706d-467c-a6c7-2a4f047b5886 | mp-4721 | Swap the spatial positions of atoms at indices 10 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Sb12Se20
_chemical_formula_sum "Rb4 Sb12 Se20"
_cell_length_a 8.80451087
_cell_length_b 9.69550567
_cell_length_c 13.15641808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.79824545
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Rb4Sb6SeSb5Se2SbSe17
_chemical_formula_sum "Rb4 Sb12 Se20"
_cell_length_a 8.80451087
_cell_length_b 9.69550567
_cell_length_c 13.15641808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.79824545
_space_group_name_... |
SwapAtomsAction | 66faa176-c6d7-4778-93ec-e85a806cd1e4 | mp-1369271 | Swap the spatial positions of atoms at indices 0 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti2Zn4Sb2O12
_chemical_formula_sum "Ti2 Zn4 Sb2 O12"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural ZnTiZnTiZn2Sb2O12
_chemical_formula_sum "Zn4 Ti2 Sb2 O12"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | b600ebcb-d45f-4408-89b5-dfec1aaabd3f | mp-613677 | Swap the spatial positions of atoms at indices 10 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd4Mn4Ge4
_chemical_formula_sum "Gd4 Mn4 Ge4"
_cell_length_a 3.883324
_cell_length_b 7.035758
_cell_length_c 8.062189
_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 Gd3GeMn4Ge2GdGe
_chemical_formula_sum "Gd4 Ge4 Mn4"
_cell_length_a 3.883324
_cell_length_b 7.035758
_cell_length_c 8.062189
_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 | cee439b2-430f-4e63-9a0c-2feb008e684e | mp-755893 | Swap the spatial positions of atoms at indices 6 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Bi4O12
_chemical_formula_sum "Ca4 Bi4 O12"
_cell_length_a 5.75831054
_cell_length_b 6.02554523
_cell_length_c 8.33034702
_cell_angle_alpha 90.0
_cell_angle_beta 90.10598141
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ca4Bi2OBiO7BiO4
_chemical_formula_sum "Ca4 Bi4 O12"
_cell_length_a 5.75831054
_cell_length_b 6.02554523
_cell_length_c 8.33034702
_cell_angle_alpha 90.0
_cell_angle_beta 90.10598141
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 336620a4-ddb7-4198-bd2c-040a0b690c66 | mp-1041312 | Swap the spatial positions of atoms at indices 7 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaMn4O8
_chemical_formula_sum "Ba1 Mn4 O8"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaMnOMn2O2MnO5
_chemical_formula_sum "Ba1 Mn4 O8"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_a... |
SwapAtomsAction | 13362ab2-1d1a-47b8-bdd3-6a9171d2aa56 | mp-27353 | Swap the spatial positions of atoms at indices 51 and 19 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 Sb12Cl7FCl16F15ClF20
_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 | e1215f52-bf06-4cbb-9f25-f33f6e9da839 | mp-1028643 | 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 Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural STe5Mo2W2STe
_chemical_formula_sum "S2 Te6 Mo2 W2"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_name_H... |
SwapAtomsAction | 8817e506-a043-4cc4-aab4-a335885de7d3 | mp-759873 | Swap the spatial positions of atoms at indices 28 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb16O22F4
_chemical_formula_sum "Sb16 O22 F4"
_cell_length_a 4.244161
_cell_length_b 10.515138
_cell_length_c 18.170208560000003
_cell_angle_alpha 88.98562154
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb5OSb10O12SbO9F4
_chemical_formula_sum "Sb16 O22 F4"
_cell_length_a 4.244161
_cell_length_b 10.515138
_cell_length_c 18.170208560000003
_cell_angle_alpha 88.98562154
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | c44b2999-aac4-40d2-99cf-0938f71a7eac | mp-734012 | Swap the spatial positions of atoms at indices 62 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Lu4Si16O44
_chemical_formula_sum "K8 Lu4 Si16 O44"
_cell_length_a 8.625046
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K5OK2Lu4Si16O34KO9
_chemical_formula_sum "K8 O44 Lu4 Si16"
_cell_length_a 8.625046
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SwapAtomsAction | 143920cc-2f07-427f-9d94-3880623d7833 | mp-2217543 | Swap the spatial positions of atoms at indices 0 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgCoP2O7
_chemical_formula_sum "Mg1 Co1 P2 O7"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962
_spa... | data_image0
_chemical_formula_structural OCoP2O3MgO3
_chemical_formula_sum "O7 Co1 P2 Mg1"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962
_... |
SwapAtomsAction | 4a20ecd4-7a72-4e4e-96e9-3dedef17064c | mp-733763 | Swap the spatial positions of atoms at indices 8 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr4Hg4H4O18
_chemical_formula_sum "Cr4 Hg4 H4 O18"
_cell_length_a 6.59140315
_cell_length_b 6.59140315
_cell_length_c 13.51529886
_cell_angle_alpha 72.78458591
_cell_angle_beta 72.78458591
_cell_angle_gamma 47.698904199999994
_spac... | data_image0
_chemical_formula_structural Cr4Hg4OH3O8HO9
_chemical_formula_sum "Cr4 Hg4 O18 H4"
_cell_length_a 6.59140315
_cell_length_b 6.59140315
_cell_length_c 13.51529886
_cell_angle_alpha 72.78458591
_cell_angle_beta 72.78458591
_cell_angle_gamma 47.698904199999994
_s... |
SwapAtomsAction | 3e2d8c1b-6102-448a-9cdc-76d029e26ed5 | mp-754713 | Swap the spatial positions of atoms at indices 0 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al8Cr4O20
_chemical_formula_sum "Al8 Cr4 O20"
_cell_length_a 5.05828776
_cell_length_b 7.185476969999999
_cell_length_c 10.24938235
_cell_angle_alpha 74.62419369000001
_cell_angle_beta 82.79878355
_cell_angle_gamma 110.2480265400000... | data_image0
_chemical_formula_structural OAl7Cr4AlO19
_chemical_formula_sum "O20 Al8 Cr4"
_cell_length_a 5.05828776
_cell_length_b 7.185476969999999
_cell_length_c 10.24938235
_cell_angle_alpha 74.62419369000001
_cell_angle_beta 82.79878355
_cell_angle_gamma 110.2480265400... |
SwapAtomsAction | 5e149b13-cc6a-4f41-88c4-141a83a2613c | mp-1102140 | 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 Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_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 IrNd3Si4Ir3Nd
_chemical_formula_sum "Ir4 Nd4 Si4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | f463fab7-a790-467e-8a30-405cfa1ffd57 | mp-667336 | Swap the spatial positions of atoms at indices 20 and 31 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs16Zr4TeZr7Te3ZrTe60
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SwapAtomsAction | 650470ec-9dfe-4784-bfc2-a00d28b49c35 | mp-685281 | Swap the spatial positions of atoms at indices 23 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnFH11O6F3HF2
_chemical_formula_sum "Ti1 Zn1 F6 H12 O6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
... |
SwapAtomsAction | 9dcf6ea2-9c04-4b18-9b32-e68b5becffcc | mp-558102 | 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 K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural LiK2LiSi4O10
_chemical_formula_sum "Li2 K2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 0a63ce29-a430-46e2-996e-fab8111b0c9b | mp-1204112 | Swap the spatial positions of atoms at indices 19 and 42 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S9ClS2N12Cl8SCl3
_chemical_formula_sum "Sn2 H8 S12 Cl12 N12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SwapAtomsAction | 546bb7ed-7670-46be-85be-6c6602e3e2c7 | mp-1516711 | Swap the spatial positions of atoms at indices 0 and 35 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr8Sm4Nb4O24
_chemical_formula_sum "Sr8 Sm4 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_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 OSr7Sm4Nb4O19SrO4
_chemical_formula_sum "O24 Sr8 Sm4 Nb4"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 09dc6779-8f5e-43cd-ad96-038aa90d8aaf | mp-1224199 | Swap the spatial positions of atoms at indices 3 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho12Co9
_chemical_formula_sum "Ho12 Co9"
_cell_length_a 4.04348636
_cell_length_b 11.13594434
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_group_nam... | data_image0
_chemical_formula_structural Ho3CoHo8Co2HoCo6
_chemical_formula_sum "Ho12 Co9"
_cell_length_a 4.04348636
_cell_length_b 11.13594434
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_... |
SwapAtomsAction | b5134e7f-ca38-4d60-ba43-9374cb9f2575 | mp-1173638 | 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 Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... | data_image0
_chemical_formula_structural Sr2RuSr7CuRu2SrRuO20
_chemical_formula_sum "Sr10 Ru4 Cu1 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gam... |
SwapAtomsAction | 6e5d77bb-477e-4d34-8808-56d5220db6c6 | mp-642822 | 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 Ca4C8
_chemical_formula_sum "Ca4 C8"
_cell_length_a 6.69598787
_cell_length_b 7.744066819999999
_cell_length_c 4.05699111
_cell_angle_alpha 79.01721744
_cell_angle_beta 88.07361974999999
_cell_angle_gamma 70.84437664
_space_group_n... | data_image0
_chemical_formula_structural CaCCa2C5CaC2
_chemical_formula_sum "Ca4 C8"
_cell_length_a 6.69598787
_cell_length_b 7.744066819999999
_cell_length_c 4.05699111
_cell_angle_alpha 79.01721744
_cell_angle_beta 88.07361974999999
_cell_angle_gamma 70.84437664
_space_... |
SwapAtomsAction | c4ae8baa-bfc7-4c83-a51a-be8e49abd781 | mp-1218836 | Swap the spatial positions of atoms at indices 1 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O9
_chemical_formula_sum "Sr2 Eu2 Tl1 Ni2 O9"
_cell_length_a 15.24082335
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_gamma 14.38... | data_image0
_chemical_formula_structural SrTlEu2SrNi2O9
_chemical_formula_sum "Sr2 Tl1 Eu2 Ni2 O9"
_cell_length_a 15.24082335
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_gamma 14.3... |
SwapAtomsAction | 602714c4-6fc3-4f2f-b33c-3b7f5695e521 | mp-1111253 | Swap the spatial positions of atoms at indices 1 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2AlHgF6
_chemical_formula_sum "Na2 Al1 Hg1 F6"
_cell_length_a 6.106478
_cell_length_b 6.106478000000001
_cell_length_c 6.106478
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural NaFAlHgF3NaF2
_chemical_formula_sum "Na2 F6 Al1 Hg1"
_cell_length_a 6.106478
_cell_length_b 6.106478000000001
_cell_length_c 6.106478
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999... |
SwapAtomsAction | 218f324d-998e-4d22-888a-8bfa3b1ee248 | mp-1079634 | 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 Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural SnTb4SnAu4
_chemical_formula_sum "Sn2 Tb4 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt... |
SwapAtomsAction | c3da5b75-1de1-4d21-8570-40b7fd8d1a76 | mp-1035975 | Swap the spatial positions of atoms at indices 13 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_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 YMg12OMgSnO3MgO12
_chemical_formula_sum "Y1 Mg14 O16 Sn1"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 5ce93bb8-05cd-4b69-ac20-c66a456e594d | mp-2215839 | 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 Sr2MgZrCrO6
_chemical_formula_sum "Sr2 Mg1 Zr1 Cr1 O6"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133378999... | data_image0
_chemical_formula_structural Sr2OZrCrO4MgO
_chemical_formula_sum "Sr2 O6 Zr1 Cr1 Mg1"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.571333789... |
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