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 | c3a9c03a-3494-40ab-9df5-ecb148172387 | mp-1223525 | Swap the spatial positions of atoms at indices 0 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural 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 CuLa7KCu3O16
_chemical_formula_sum "Cu4 La7 K1 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 32.57139... |
SwapAtomsAction | 9ebc56d7-64dc-40bf-82a0-6d5af1d1ac0f | mp-780531 | Swap the spatial positions of atoms at indices 52 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Mn12O32
_chemical_formula_sum "Na12 Mn12 O32"
_cell_length_a 8.769133
_cell_length_b 8.769133
_cell_length_c 8.769133
_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 Na12OMn11O28MnO3
_chemical_formula_sum "Na12 O32 Mn12"
_cell_length_a 8.769133
_cell_length_b 8.769133
_cell_length_c 8.769133
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | fddbed23-6d56-4890-98a7-fa8727362ba7 | mp-1225501 | 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 Dy6Al6Fe12
_chemical_formula_sum "Dy6 Al6 Fe12"
_cell_length_a 5.27242289
_cell_length_b 5.27242289
_cell_length_c 16.203754
_cell_angle_alpha 89.99993312
_cell_angle_beta 90.00006688
_cell_angle_gamma 119.98512844000001
_space_gro... | data_image0
_chemical_formula_structural Dy2AlDy3AlDyAl4Fe12
_chemical_formula_sum "Dy6 Al6 Fe12"
_cell_length_a 5.27242289
_cell_length_b 5.27242289
_cell_length_c 16.203754
_cell_angle_alpha 89.99993312
_cell_angle_beta 90.00006688
_cell_angle_gamma 119.98512844000001
_... |
SwapAtomsAction | 3f5c0231-859d-4f69-849d-3a94dbc87adc | mp-1214345 | Swap the spatial positions of atoms at indices 9 and 33 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Si24Pt10
_chemical_formula_sum "Ba2 Si24 Pt10"
_cell_length_a 16.58533801
_cell_length_b 16.58533801
_cell_length_c 6.1212748900000005
_cell_angle_alpha 89.96243284
_cell_angle_beta 89.96243284
_cell_angle_gamma 158.6566667499999... | data_image0
_chemical_formula_structural Ba2Si7PtSi16Pt7SiPt2
_chemical_formula_sum "Ba2 Si24 Pt10"
_cell_length_a 16.58533801
_cell_length_b 16.58533801
_cell_length_c 6.1212748900000005
_cell_angle_alpha 89.96243284
_cell_angle_beta 89.96243284
_cell_angle_gamma 158.6566... |
SwapAtomsAction | 83259d29-a378-42e0-9e2c-a58226320c54 | mp-758514 | Swap the spatial positions of atoms at indices 2 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Fe6P8O32
_chemical_formula_sum "Li6 Fe6 P8 O32"
_cell_length_a 8.527769
_cell_length_b 9.21324108
_cell_length_c 10.03660871
_cell_angle_alpha 108.15266091
_cell_angle_beta 105.36546497
_cell_angle_gamma 109.61331428000001
_spac... | data_image0
_chemical_formula_structural Li2PLi3Fe6P6LiPO32
_chemical_formula_sum "Li6 P8 Fe6 O32"
_cell_length_a 8.527769
_cell_length_b 9.21324108
_cell_length_c 10.03660871
_cell_angle_alpha 108.15266091
_cell_angle_beta 105.36546497
_cell_angle_gamma 109.61331428000001... |
SwapAtomsAction | f99ccf07-4878-4771-8a91-7e5f1f735f62 | mp-1245175 | Swap the spatial positions of atoms at indices 65 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta50N50
_chemical_formula_sum "Ta50 N50"
_cell_length_a 11.09207323
_cell_length_b 10.63223837
_cell_length_c 10.97325726
_cell_angle_alpha 90.47321580999999
_cell_angle_beta 91.80549763
_cell_angle_gamma 87.44350961
_space_group_n... | data_image0
_chemical_formula_structural NTa49N15TaN34
_chemical_formula_sum "N50 Ta50"
_cell_length_a 11.09207323
_cell_length_b 10.63223837
_cell_length_c 10.97325726
_cell_angle_alpha 90.47321580999999
_cell_angle_beta 91.80549763
_cell_angle_gamma 87.44350961
_space_g... |
SwapAtomsAction | 278b507d-0faf-471f-8abb-07f9593acac2 | mp-775339 | Swap the spatial positions of atoms at indices 7 and 38 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... | data_image0
_chemical_formula_structural Li4V2SiOSi10O20SiO9
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma... |
SwapAtomsAction | a4245a21-f546-4295-aebd-24ebe10aaf23 | mp-649415 | Swap the spatial positions of atoms at indices 33 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Bi4N4Cl12O12
_chemical_formula_sum "K4 Bi4 N4 Cl12 O12"
_cell_length_a 8.531401
_cell_length_b 10.022379
_cell_length_c 10.45207687
_cell_angle_alpha 67.52483892000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural K4Bi4N3OCl12O9NO2
_chemical_formula_sum "K4 Bi4 N4 O12 Cl12"
_cell_length_a 8.531401
_cell_length_b 10.022379
_cell_length_c 10.45207687
_cell_angle_alpha 67.52483892000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SwapAtomsAction | 0a8b5e7d-0c09-4cc6-920d-be8d8445db30 | mp-21827 | Swap the spatial positions of atoms at indices 24 and 44 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In18Cu8Se32
_chemical_formula_sum "In18 Cu8 Se32"
_cell_length_a 11.850994
_cell_length_b 11.850994
_cell_length_c 11.850994
_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 In18Cu6SeCuSe18CuSe13
_chemical_formula_sum "In18 Cu8 Se32"
_cell_length_a 11.850994
_cell_length_b 11.850994
_cell_length_c 11.850994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | a535617b-1dfb-49c6-bb67-704ed2e256d6 | mp-1196507 | Swap the spatial positions of atoms at indices 37 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K36Fe8O32
_chemical_formula_sum "K36 Fe8 O32"
_cell_length_a 10.56596146
_cell_length_b 10.56596146
_cell_length_c 13.58791175
_cell_angle_alpha 87.37090795
_cell_angle_beta 87.37090795
_cell_angle_gamma 76.38071799000001
_space_gr... | data_image0
_chemical_formula_structural K15FeK20FeKFe6O32
_chemical_formula_sum "K36 Fe8 O32"
_cell_length_a 10.56596146
_cell_length_b 10.56596146
_cell_length_c 13.58791175
_cell_angle_alpha 87.37090795
_cell_angle_beta 87.37090795
_cell_angle_gamma 76.38071799000001
_... |
SwapAtomsAction | 22b9606c-7901-420d-87aa-6f0fde536ec9 | mp-1239205 | Swap the spatial positions of atoms at indices 16 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta2Cr6Ag4S16
_chemical_formula_sum "Ta2 Cr6 Ag4 S16"
_cell_length_a 6.023637
_cell_length_b 6.927959
_cell_length_c 14.957959830000002
_cell_angle_alpha 62.36883373999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ta2Cr5SAg4S4CrS11
_chemical_formula_sum "Ta2 Cr6 S16 Ag4"
_cell_length_a 6.023637
_cell_length_b 6.927959
_cell_length_c 14.957959830000002
_cell_angle_alpha 62.36883373999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SwapAtomsAction | 1fee122b-30e6-47dd-8f28-10b674100bda | mp-1038443 | Swap the spatial positions of atoms at indices 28 and 56 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural HfMg30CdO32
_chemical_formula_sum "Hf1 Mg30 Cd1 O32"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_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 HfMg27OMg2CdO24MgO7
_chemical_formula_sum "Hf1 Mg30 O32 Cd1"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 690a62e1-ade4-44d8-a4b3-5c522da54a40 | mp-1235910 | Swap the spatial positions of atoms at indices 8 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiMn6O4F8
_chemical_formula_sum "Li1 Mn6 O4 F8"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.24166634000001... | data_image0
_chemical_formula_structural LiMn6OFO2F6OF
_chemical_formula_sum "Li1 Mn6 O4 F8"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.2416663400... |
SwapAtomsAction | abaa4ad8-44ec-43fc-81f6-9e14e6cef708 | mp-675818 | Swap the spatial positions of atoms at indices 16 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li11TiAs5
_chemical_formula_sum "Li11 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... | data_image0
_chemical_formula_structural Li11As5Ti
_chemical_formula_sum "Li11 As5 Ti1"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... |
SwapAtomsAction | 19f6a650-2dac-4de9-9661-b63e96a0de24 | mp-678 | Swap the spatial positions of atoms at indices 62 and 38 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 Mg38AgMg15Ag8MgAg8
_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 | b517e3e5-fdb8-4930-b90d-3b0eb3ee35b4 | mp-1218836 | Swap the spatial positions of atoms at indices 8 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural 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 Sr2EuOTlNi2OEuO7
_chemical_formula_sum "Sr2 Eu2 O9 Tl1 Ni2"
_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... |
SwapAtomsAction | 1b5791f5-85ee-4715-93af-fc3117a270e3 | mp-21827 | Swap the spatial positions of atoms at indices 10 and 38 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In18Cu8Se32
_chemical_formula_sum "In18 Cu8 Se32"
_cell_length_a 11.850994
_cell_length_b 11.850994
_cell_length_c 11.850994
_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 In10SeIn7Cu8Se12InSe19
_chemical_formula_sum "In18 Se32 Cu8"
_cell_length_a 11.850994
_cell_length_b 11.850994
_cell_length_c 11.850994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 1c7b7811-83c9-427a-a58a-17f0af4c8522 | mp-20843 | Swap the spatial positions of atoms at indices 1 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4In2Pd4
_chemical_formula_sum "Sr4 In2 Pd4"
_cell_length_a 6.05803228
_cell_length_b 6.04504045
_cell_length_c 8.37278286
_cell_angle_alpha 101.75932553
_cell_angle_beta 90.0
_cell_angle_gamma 120.07111383
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural SrPdSr2In2SrPd3
_chemical_formula_sum "Sr4 Pd4 In2"
_cell_length_a 6.05803228
_cell_length_b 6.04504045
_cell_length_c 8.37278286
_cell_angle_alpha 101.75932553
_cell_angle_beta 90.0
_cell_angle_gamma 120.07111383
_space_group_name... |
SwapAtomsAction | fa06b10d-791e-4118-a1f2-841692f0416a | mp-1191856 | Swap the spatial positions of atoms at indices 6 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In4As4Cl4O10
_chemical_formula_sum "In4 As4 Cl4 O10"
_cell_length_a 6.843761
_cell_length_b 7.6331631
_cell_length_c 9.17066783
_cell_angle_alpha 108.41518677
_cell_angle_beta 104.79502943000001
_cell_angle_gamma 102.17767142999999
... | data_image0
_chemical_formula_structural In4As2OAsCl4O7AsO2
_chemical_formula_sum "In4 As4 O10 Cl4"
_cell_length_a 6.843761
_cell_length_b 7.6331631
_cell_length_c 9.17066783
_cell_angle_alpha 108.41518677
_cell_angle_beta 104.79502943000001
_cell_angle_gamma 102.177671429... |
SwapAtomsAction | 75431bb5-5f3e-4e8b-a177-a9586f61a883 | mp-569776 | 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 Ta4Ni12
_chemical_formula_sum "Ta4 Ni12"
_cell_length_a 4.50048397
_cell_length_b 5.0775531
_cell_length_c 8.564185050000003
_cell_angle_alpha 90.0
_cell_angle_beta 100.87707586
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ta3Ni6TaNi6
_chemical_formula_sum "Ta4 Ni12"
_cell_length_a 4.50048397
_cell_length_b 5.0775531
_cell_length_c 8.564185050000003
_cell_angle_alpha 90.0
_cell_angle_beta 100.87707586
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 0beaa43f-2679-4898-80e8-80c3b217d87e | mp-1204170 | Swap the spatial positions of atoms at indices 0 and 32 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg10C8O36
_chemical_formula_sum "Mg10 C8 O36"
_cell_length_a 10.22997894
_cell_length_b 10.22997894
_cell_length_c 9.092686
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.37519941
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural OMg9C8O14MgO21
_chemical_formula_sum "O36 Mg10 C8"
_cell_length_a 10.22997894
_cell_length_b 10.22997894
_cell_length_c 9.092686
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.37519941
_space_group_name_H-M_alt ... |
SwapAtomsAction | 7121a272-93a4-4911-b570-8382e7df8666 | mp-1179595 | Swap the spatial positions of atoms at indices 2 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb6O28
_chemical_formula_sum "Sb6 O28"
_cell_length_a 14.943285
_cell_length_b 5.856034
_cell_length_c 5.863911219999999
_cell_angle_alpha 71.72741294
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb2OSb3O9SbO18
_chemical_formula_sum "Sb6 O28"
_cell_length_a 14.943285
_cell_length_b 5.856034
_cell_length_c 5.863911219999999
_cell_angle_alpha 71.72741294
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 90fd9363-ef7a-48cb-aee0-2d7981d05c11 | mp-1029491 | Swap the spatial positions of atoms at indices 9 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Co4N4
_chemical_formula_sum "Cs4 Co4 N4"
_cell_length_a 3.519496
_cell_length_b 7.274685
_cell_length_c 10.533203
_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 Cs4CoNCo2NCoN2
_chemical_formula_sum "Cs4 Co4 N4"
_cell_length_a 3.519496
_cell_length_b 7.274685
_cell_length_c 10.533203
_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 | 76ef0d63-daee-4664-9b17-58d3e7361597 | mp-583615 | Swap the spatial positions of atoms at indices 28 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K12In8As12
_chemical_formula_sum "K12 In8 As12"
_cell_length_a 10.51184083
_cell_length_b 10.51184083
_cell_length_c 14.88376899
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 142.13376966
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K2AsK9In8As8KAs3
_chemical_formula_sum "K12 As12 In8"
_cell_length_a 10.51184083
_cell_length_b 10.51184083
_cell_length_c 14.88376899
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 142.13376966
_space_group_name_H-... |
SwapAtomsAction | ca8272b3-179a-43c7-a170-82538d440172 | mp-603241 | Swap the spatial positions of atoms at indices 6 and 60 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... | data_image0
_chemical_formula_structural Ba4Fe2OFeSi16O36FeO3
_chemical_formula_sum "Ba4 Fe4 O40 Si16"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.999... |
SwapAtomsAction | debc6827-0441-4b66-be54-90214d22b669 | mp-560378 | Swap the spatial positions of atoms at indices 50 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca12Ta16O48F8
_chemical_formula_sum "Ca12 Ta16 O48 F8"
_cell_length_a 10.538277
_cell_length_b 10.538277
_cell_length_c 10.538277
_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 Ca12Ta5OTa10O22TaO25F8
_chemical_formula_sum "Ca12 Ta16 O48 F8"
_cell_length_a 10.538277
_cell_length_b 10.538277
_cell_length_c 10.538277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | 68252c6d-2aba-40d5-bb55-55e8ae79c9cd | mp-1193265 | Swap the spatial positions of atoms at indices 12 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Sb4Se12
_chemical_formula_sum "Na12 Sb4 Se12"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Na12SeSb3Se10SbSe
_chemical_formula_sum "Na12 Se12 Sb4"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 33043671-0b95-4242-9b45-f5fb8959d5b2 | mp-1205001 | Swap the spatial positions of atoms at indices 0 and 65 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Os8Xe4O24F40
_chemical_formula_sum "Os8 Xe4 O24 F40"
_cell_length_a 7.84387
_cell_length_b 11.837705
_cell_length_c 13.171691
_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 FOs7Xe4O24F29OsF10
_chemical_formula_sum "F40 Os8 Xe4 O24"
_cell_length_a 7.84387
_cell_length_b 11.837705
_cell_length_c 13.171691
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | dbe55ea8-c0e6-4a8e-9c6a-e5f88b886287 | mp-1103158 | Swap the spatial positions of atoms at indices 5 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Ge4Ir4
_chemical_formula_sum "Ti4 Ge4 Ir4"
_cell_length_a 3.94684421
_cell_length_b 6.29461026
_cell_length_c 7.36967752
_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 Ti4GeIrGe2IrGeIr2
_chemical_formula_sum "Ti4 Ge4 Ir4"
_cell_length_a 3.94684421
_cell_length_b 6.29461026
_cell_length_c 7.36967752
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 769f4e02-d003-4abf-9eaa-61ee5ab447e5 | mp-757418 | Swap the spatial positions of atoms at indices 13 and 41 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural KTi16O32
_chemical_formula_sum "K1 Ti16 O32"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_space_grou... | data_image0
_chemical_formula_structural KTi12OTi3O24TiO7
_chemical_formula_sum "K1 Ti16 O32"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_sp... |
SwapAtomsAction | 7de2a6d6-ea7b-4b85-8c28-357d0568e48c | mp-1175318 | Swap the spatial positions of atoms at indices 26 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 5.9418197
_cell_length_b 7.695115400000001
_cell_length_c 9.96267288
_cell_angle_alpha 78.87524298
_cell_angle_beta 93.43958204999998
_cell_angle_gamma 81.9583734
_sp... | data_image0
_chemical_formula_structural LiOLi12Mn10O2LiO21
_chemical_formula_sum "Li14 O24 Mn10"
_cell_length_a 5.9418197
_cell_length_b 7.695115400000001
_cell_length_c 9.96267288
_cell_angle_alpha 78.87524298
_cell_angle_beta 93.43958204999998
_cell_angle_gamma 81.95837... |
SwapAtomsAction | 67bcd839-48e8-4bf4-9cba-5c5230448e9c | mp-774335 | Swap the spatial positions of atoms at indices 40 and 29 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn16P16O56
_chemical_formula_sum "Sn16 P16 O56"
_cell_length_a 7.031273
_cell_length_b 7.031273
_cell_length_c 25.553671
_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 Sn16P13OP2O8PO47
_chemical_formula_sum "Sn16 P16 O56"
_cell_length_a 7.031273
_cell_length_b 7.031273
_cell_length_c 25.553671
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | b1426eb6-7be6-4970-87eb-dae799e2ece5 | mp-1196015 | Swap the spatial positions of atoms at indices 14 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs8P4Au4S16
_chemical_formula_sum "Cs8 P4 Au4 S16"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_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 Cs8P4Au2SAuS11AuS4
_chemical_formula_sum "Cs8 P4 Au4 S16"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 083f702c-40de-498d-b44c-9eb77e1de824 | mp-2215121 | Swap the spatial positions of atoms at indices 3 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co4NiO8
_chemical_formula_sum "Co4 Ni1 O8"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83364116000... | data_image0
_chemical_formula_structural Co3ONiO2CoO5
_chemical_formula_sum "Co4 O8 Ni1"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.833641... |
SwapAtomsAction | 5c343b1b-f052-49e1-8819-5fa78839892a | mp-1195795 | Swap the spatial positions of atoms at indices 35 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La4Y2SY8S20YS
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_spa... |
SwapAtomsAction | c4d02087-4cd0-46d5-ab37-f16b60ad0884 | mp-1173233 | 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 Sr3LaCu2Bi4O12
_chemical_formula_sum "Sr3 La1 Cu2 Bi4 O12"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma 89.7... | data_image0
_chemical_formula_structural SrBiSrLaCu2Bi2SrBiO12
_chemical_formula_sum "Sr3 Bi4 La1 Cu2 O12"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma ... |
SwapAtomsAction | b9026a38-4ca1-408f-9a58-219acfdc9dfd | mp-1175381 | Swap the spatial positions of atoms at indices 28 and 10 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 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_space_gro... | data_image0
_chemical_formula_structural Li9CoOCo5O12CoO3
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_sp... |
SwapAtomsAction | 69dc0468-da6b-4b70-9761-ef47e2c74e31 | mp-1185716 | Swap the spatial positions of atoms at indices 13 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg16Al12V
_chemical_formula_sum "Mg16 Al12 V1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914999999
_... | data_image0
_chemical_formula_structural Mg13AlMg2Al8MgAl3V
_chemical_formula_sum "Mg16 Al12 V1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914... |
SwapAtomsAction | a28cfe84-c347-4edf-bd6a-2a6b621a24ed | mp-770394 | Swap the spatial positions of atoms at indices 36 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na10Fe4P4C4O28
_chemical_formula_sum "Na10 Fe4 P4 C4 O28"
_cell_length_a 6.68731
_cell_length_b 8.97397999
_cell_length_c 10.46054342
_cell_angle_alpha 90.26436813999999
_cell_angle_beta 90.25765964
_cell_angle_gamma 90.59874483
_s... | data_image0
_chemical_formula_structural Na10Fe4POP2C4O14PO13
_chemical_formula_sum "Na10 Fe4 P4 O28 C4"
_cell_length_a 6.68731
_cell_length_b 8.97397999
_cell_length_c 10.46054342
_cell_angle_alpha 90.26436813999999
_cell_angle_beta 90.25765964
_cell_angle_gamma 90.598744... |
SwapAtomsAction | 177c3214-6863-4706-a443-526d5d59a277 | mp-975336 | Swap the spatial positions of atoms at indices 12 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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 K4C4NS4N3
_chemical_formula_sum "K4 C4 N4 S4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
SwapAtomsAction | de3b97c2-b9b6-4d3d-bd2a-273ddef07108 | mp-2460 | Swap the spatial positions of atoms at indices 12 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er6O9
_chemical_formula_sum "Er6 O9"
_cell_length_a 3.43167153
_cell_length_b 7.10234264
_cell_length_c 8.48446669
_cell_angle_alpha 99.89320707
_cell_angle_beta 90.00002786999998
_cell_angle_gamma 103.97785276
_space_group_name_H-... | data_image0
_chemical_formula_structural Er5O7ErO2
_chemical_formula_sum "Er6 O9"
_cell_length_a 3.43167153
_cell_length_b 7.10234264
_cell_length_c 8.48446669
_cell_angle_alpha 99.89320707
_cell_angle_beta 90.00002786999998
_cell_angle_gamma 103.97785276
_space_group_nam... |
SwapAtomsAction | 753a1824-c641-4ebf-93cb-9576a76c70a0 | mp-4584 | Swap the spatial positions of atoms at indices 7 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl6B2O6
_chemical_formula_sum "Tl6 B2 O6"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 3.76205605
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural BTl5BTlO6
_chemical_formula_sum "B2 Tl6 O6"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 3.76205605
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 178419ad-7891-4ea3-b594-149fa62c3bc4 | mp-1191148 | 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 Sr2Cu4B4O12
_chemical_formula_sum "Sr2 Cu4 B4 O12"
_cell_length_a 7.28681241
_cell_length_b 7.28681241
_cell_length_c 7.286813030000001
_cell_angle_alpha 102.71824613
_cell_angle_beta 102.7182562
_cell_angle_gamma 124.03409063000001... | data_image0
_chemical_formula_structural OSrCu4B4O9SrO2
_chemical_formula_sum "O12 Sr2 Cu4 B4"
_cell_length_a 7.28681241
_cell_length_b 7.28681241
_cell_length_c 7.286813030000001
_cell_angle_alpha 102.71824613
_cell_angle_beta 102.7182562
_cell_angle_gamma 124.03409063000... |
SwapAtomsAction | 52c618c2-92aa-49a7-b088-752548e1e991 | mp-1199432 | Swap the spatial positions of atoms at indices 14 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al2FeP2H18O18
_chemical_formula_sum "Al2 Fe1 P2 H18 O18"
_cell_length_a 5.26297988
_cell_length_b 7.0316164
_cell_length_c 10.34434355
_cell_angle_alpha 96.11274837
_cell_angle_beta 101.34742511
_cell_angle_gamma 110.46688023
_spac... | data_image0
_chemical_formula_structural AlHFeP2H9AlH8O18
_chemical_formula_sum "Al2 H18 Fe1 P2 O18"
_cell_length_a 5.26297988
_cell_length_b 7.0316164
_cell_length_c 10.34434355
_cell_angle_alpha 96.11274837
_cell_angle_beta 101.34742511
_cell_angle_gamma 110.46688023
_s... |
SwapAtomsAction | 643383ca-bfc6-4d8e-9d6d-a38b4427b15b | mp-997515 | Swap the spatial positions of atoms at indices 41 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Fe16O24
_chemical_formula_sum "Li2 Fe16 O24"
_cell_length_a 5.97719948
_cell_length_b 5.99319591
_cell_length_c 13.44468737
_cell_angle_alpha 103.09989205
_cell_angle_beta 103.09598309
_cell_angle_gamma 89.9428753
_space_group_n... | data_image0
_chemical_formula_structural Li2Fe14OFeO23Fe
_chemical_formula_sum "Li2 Fe16 O24"
_cell_length_a 5.97719948
_cell_length_b 5.99319591
_cell_length_c 13.44468737
_cell_angle_alpha 103.09989205
_cell_angle_beta 103.09598309
_cell_angle_gamma 89.9428753
_space_gr... |
SwapAtomsAction | 370b0a7e-271d-4f9a-9a47-96572f74929c | mp-753980 | Swap the spatial positions of atoms at indices 16 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural 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 Li3OMn2TeWO8LiO3
_chemical_formula_sum "Li4 O12 Mn2 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 | c43df90c-6561-4a4e-bb64-4e28c27208d4 | mp-1022964 | 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 Y2Mg12Cu2
_chemical_formula_sum "Y2 Mg12 Cu2"
_cell_length_a 4.954655
_cell_length_b 6.058748
_cell_length_c 12.047795
_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 YMg8YMg4Cu2
_chemical_formula_sum "Y2 Mg12 Cu2"
_cell_length_a 4.954655
_cell_length_b 6.058748
_cell_length_c 12.047795
_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 | 67fdeb03-d252-4cef-9096-349a752c76dd | mp-1214614 | Swap the spatial positions of atoms at indices 0 and 45 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8Ga6Ge40
_chemical_formula_sum "Ba8 Ga6 Ge40"
_cell_length_a 11.04858372
_cell_length_b 11.04858372
_cell_length_c 11.04858372
_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 GeBa7Ga6Ge31BaGe8
_chemical_formula_sum "Ge40 Ba8 Ga6"
_cell_length_a 11.04858372
_cell_length_b 11.04858372
_cell_length_c 11.04858372
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 43935aad-82a4-4c74-90b9-9eb37424372c | mp-2713621 | Swap the spatial positions of atoms at indices 75 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural ONa11Zr4Ti4Si8P4O43NaO4
_chemical_formula_sum "O48 Na12 Zr4 Ti4 Si8 P4"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma ... |
SwapAtomsAction | fa0ed8ce-faf3-4429-9671-91c1cf8f3fa4 | mp-1359845 | Swap the spatial positions of atoms at indices 3 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Cu4P8O28
_chemical_formula_sum "Ca2 Cu4 P8 O28"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_group_n... | data_image0
_chemical_formula_structural Ca2CuPCu2P6CuPO28
_chemical_formula_sum "Ca2 Cu4 P8 O28"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_g... |
SwapAtomsAction | f9111a4d-6a46-48fc-aff3-135f7ceaa889 | mp-1189731 | Swap the spatial positions of atoms at indices 9 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P4Br12O4
_chemical_formula_sum "P4 Br12 O4"
_cell_length_a 6.564227
_cell_length_b 10.251911
_cell_length_c 10.600444
_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 P4Br5OBr6OBrO2
_chemical_formula_sum "P4 Br12 O4"
_cell_length_a 6.564227
_cell_length_b 10.251911
_cell_length_c 10.600444
_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 | ac7980bf-4e84-498b-a2b6-b46fb878dde3 | mp-545404 | Swap the spatial positions of atoms at indices 5 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrGd2Al2O7
_chemical_formula_sum "Sr1 Gd2 Al2 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998
_sp... | data_image0
_chemical_formula_structural SrGd2AlOAlO6
_chemical_formula_sum "Sr1 Gd2 Al2 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998
_... |
SwapAtomsAction | badac10f-e8f7-426c-a1e3-46b3fe104236 | mp-1200624 | Swap the spatial positions of atoms at indices 41 and 3 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 K3OV6P8O23KO16
_chemical_formula_sum "K4 O40 V6 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 | 5769656b-8164-4877-baaf-ec556ac5dac2 | mp-630329 | Swap the spatial positions of atoms at indices 8 and 26 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 Pb8OSe7O10SeO13
_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_H... |
SwapAtomsAction | 4af31f57-59d2-462b-9226-2fb0b89ed376 | mp-1174059 | Swap the spatial positions of atoms at indices 12 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li5MnCo2O8
_chemical_formula_sum "Li5 Mn1 Co2 O8"
_cell_length_a 9.75348313
_cell_length_b 9.75348313
_cell_length_c 5.094650180000001
_cell_angle_alpha 86.21867935
_cell_angle_beta 86.21867935
_cell_angle_gamma 17.041642740000004
... | data_image0
_chemical_formula_structural Li5MnOCoO4CoO3
_chemical_formula_sum "Li5 Mn1 O8 Co2"
_cell_length_a 9.75348313
_cell_length_b 9.75348313
_cell_length_c 5.094650180000001
_cell_angle_alpha 86.21867935
_cell_angle_beta 86.21867935
_cell_angle_gamma 17.0416427400000... |
SwapAtomsAction | bbc273b1-7962-460d-88b0-ba5cbf6c3972 | mp-1190647 | Swap the spatial positions of atoms at indices 2 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ge6F16
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ge2FGe3F11GeF4
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | cf2fba5f-0d53-4515-9026-a36aa8423aec | mp-753124 | Swap the spatial positions of atoms at indices 18 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba5Bi3O11
_chemical_formula_sum "Ba5 Bi3 O11"
_cell_length_a 6.28351456
_cell_length_b 6.2835145599999995
_cell_length_c 9.235104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.03880228
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba5BiOBiO10Bi
_chemical_formula_sum "Ba5 Bi3 O11"
_cell_length_a 6.28351456
_cell_length_b 6.2835145599999995
_cell_length_c 9.235104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.03880228
_space_group_name_H-M_... |
SwapAtomsAction | e5e79b60-bd88-4257-b83a-a6ffb63a6272 | mp-1196133 | Swap the spatial positions of atoms at indices 22 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U8P4Cl44O4
_chemical_formula_sum "U8 P4 Cl44 O4"
_cell_length_a 8.517192
_cell_length_b 8.615967
_cell_length_c 23.59655
_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 ClU7P4Cl10UCl33O4
_chemical_formula_sum "Cl44 U8 P4 O4"
_cell_length_a 8.517192
_cell_length_b 8.615967
_cell_length_c 23.59655
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | c5a4550a-c64e-4aef-a949-5977a43ba1e4 | mp-24402 | Swap the spatial positions of atoms at indices 12 and 28 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Al4Si4H4O20
_chemical_formula_sum "Ca4 Al4 Si4 H4 O20"
_cell_length_a 5.751519
_cell_length_b 7.119977
_cell_length_c 8.605031
_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 Ca4Al4Si4OH3O12HO7
_chemical_formula_sum "Ca4 Al4 Si4 O20 H4"
_cell_length_a 5.751519
_cell_length_b 7.119977
_cell_length_c 8.605031
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | c3259c31-75bd-47f3-80e9-fbe1fb2924fd | mp-1020590 | 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 Na8N3O
_chemical_formula_sum "Na8 N3 O1"
_cell_length_a 5.788327
_cell_length_b 5.788327
_cell_length_c 5.788327
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural Na3NNa4N2NaO
_chemical_formula_sum "Na8 N3 O1"
_cell_length_a 5.788327
_cell_length_b 5.788327
_cell_length_c 5.788327
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
SwapAtomsAction | 3e05722f-5faa-417b-a01d-e6eaa9c0be42 | mp-22385 | 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 NpAl8Fe4
_chemical_formula_sum "Np1 Al8 Fe4"
_cell_length_a 6.67251209
_cell_length_b 6.67251209
_cell_length_c 6.67251209
_cell_angle_alpha 98.01214626999999
_cell_angle_beta 98.01214626999999
_cell_angle_gamma 136.15645146
_space... | data_image0
_chemical_formula_structural NpAlFeAl7Fe3
_chemical_formula_sum "Np1 Al8 Fe4"
_cell_length_a 6.67251209
_cell_length_b 6.67251209
_cell_length_c 6.67251209
_cell_angle_alpha 98.01214626999999
_cell_angle_beta 98.01214626999999
_cell_angle_gamma 136.15645146
_s... |
SwapAtomsAction | 4d36e138-4360-4521-9d58-e1eec54c7193 | mp-26198 | 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 Co4P8O28
_chemical_formula_sum "Co4 P8 O28"
_cell_length_a 6.14724177
_cell_length_b 6.147241770000001
_cell_length_c 12.929038539999999
_cell_angle_alpha 75.27262183
_cell_angle_beta 75.27262183
_cell_angle_gamma 80.94715248
_spac... | data_image0
_chemical_formula_structural CoPCo2P7CoO28
_chemical_formula_sum "Co4 P8 O28"
_cell_length_a 6.14724177
_cell_length_b 6.147241770000001
_cell_length_c 12.929038539999999
_cell_angle_alpha 75.27262183
_cell_angle_beta 75.27262183
_cell_angle_gamma 80.94715248
... |
SwapAtomsAction | d4591a05-dae7-4bed-a8b8-69b2d6c6020c | mp-774670 | Swap the spatial positions of atoms at indices 25 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn3Cu3Sn2O16
_chemical_formula_sum "Li4 Mn3 Cu3 Sn2 O16"
_cell_length_a 5.95631685
_cell_length_b 5.90008281
_cell_length_c 9.68288621
_cell_angle_alpha 89.97640245
_cell_angle_beta 89.09654226
_cell_angle_gamma 119.7738885699999... | data_image0
_chemical_formula_structural Li4Mn3OCu2Sn2O13CuO2
_chemical_formula_sum "Li4 Mn3 O16 Cu3 Sn2"
_cell_length_a 5.95631685
_cell_length_b 5.90008281
_cell_length_c 9.68288621
_cell_angle_alpha 89.97640245
_cell_angle_beta 89.09654226
_cell_angle_gamma 119.77388856... |
SwapAtomsAction | edde39c6-51e7-4696-9d4d-e623004e4670 | mp-1522640 | Swap the spatial positions of atoms at indices 1 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaCeEuGeO6
_chemical_formula_sum "Ca1 Ce1 Eu1 Ge1 O6"
_cell_length_a 5.86875998
_cell_length_b 5.86875998
_cell_length_c 5.86875998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural CaEuCeGeO6
_chemical_formula_sum "Ca1 Eu1 Ce1 Ge1 O6"
_cell_length_a 5.86875998
_cell_length_b 5.86875998
_cell_length_c 5.86875998
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
SwapAtomsAction | 3dbfd676-50f9-424d-874b-d0ee1dbb3153 | mp-29185 | 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 Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... | data_image0
_chemical_formula_structural Te2OTe2O5F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
... |
SwapAtomsAction | 3db6cb83-7b0f-40a9-a851-fcbb5ac7b741 | mp-752533 | Swap the spatial positions of atoms at indices 8 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2La4O8
_chemical_formula_sum "Sr2 La4 O8"
_cell_length_a 6.24234218
_cell_length_b 6.24234218
_cell_length_c 11.561748
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.65723719000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr2OLa3O2LaO5
_chemical_formula_sum "Sr2 O8 La4"
_cell_length_a 6.24234218
_cell_length_b 6.24234218
_cell_length_c 11.561748
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.65723719000002
_space_group_name_H-M_a... |
SwapAtomsAction | f3ecc9c2-ff2c-4489-93d9-f1df94a7449b | mp-1105286 | Swap the spatial positions of atoms at indices 10 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural 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 Eu4PdEu4PdEuPd4
_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_gr... |
SwapAtomsAction | bf94655a-d0aa-422b-bada-336bde9974d2 | mp-26228 | Swap the spatial positions of atoms at indices 39 and 0 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 OV3P8O27V
_chemical_formula_sum "O28 V4 P8"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
... |
SwapAtomsAction | 67d164a5-bb21-4c31-8acc-8648c02591c4 | mp-1209131 | Swap the spatial positions of atoms at indices 55 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn27Pd39
_chemical_formula_sum "Sn27 Pd39"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sn12PdSn14Pd28SnPd10
_chemical_formula_sum "Sn27 Pd39"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_a... |
SwapAtomsAction | 46fd89b4-431e-4583-bd11-8d4246040178 | mp-1218859 | Swap the spatial positions of atoms at indices 23 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Ca2Ti6O18
_chemical_formula_sum "Sr4 Ca2 Ti6 O18"
_cell_length_a 12.39689951
_cell_length_b 12.38982443
_cell_length_c 5.55699853
_cell_angle_alpha 77.11570031
_cell_angle_beta 76.97351799
_cell_angle_gamma 25.91078169999999
_sp... | data_image0
_chemical_formula_structural Sr4Ca2Ti3OTi2O11TiO6
_chemical_formula_sum "Sr4 Ca2 Ti6 O18"
_cell_length_a 12.39689951
_cell_length_b 12.38982443
_cell_length_c 5.55699853
_cell_angle_alpha 77.11570031
_cell_angle_beta 76.97351799
_cell_angle_gamma 25.91078169999... |
SwapAtomsAction | 6ad5d48f-43ae-4c2a-89af-f209a92b14af | mp-26118 | Swap the spatial positions of atoms at indices 36 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn8P12O48
_chemical_formula_sum "Li4 Mn8 P12 O48"
_cell_length_a 8.492028
_cell_length_b 8.225922
_cell_length_c 11.70736746
_cell_angle_alpha 89.96285947999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Mn8P11O13PO35
_chemical_formula_sum "Li4 Mn8 P12 O48"
_cell_length_a 8.492028
_cell_length_b 8.225922
_cell_length_c 11.70736746
_cell_angle_alpha 89.96285947999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SwapAtomsAction | c1017672-5aa6-4662-a5f8-198ddb39a142 | mp-1192151 | 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 Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... | data_image0
_chemical_formula_structural Rb2ZnRbZn3RbZn6As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_g... |
SwapAtomsAction | b723c46e-e23d-4a65-b60e-3e7b8ca881b6 | mp-849991 | Swap the spatial positions of atoms at indices 37 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li24Fe12F48
_chemical_formula_sum "Li24 Fe12 F48"
_cell_length_a 7.492188
_cell_length_b 8.78959
_cell_length_c 17.86894667
_cell_angle_alpha 60.89034093
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li19FLi4Fe12FLiF46
_chemical_formula_sum "Li24 F48 Fe12"
_cell_length_a 7.492188
_cell_length_b 8.78959
_cell_length_c 17.86894667
_cell_angle_alpha 60.89034093
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | dd41bcda-77dc-4234-b20b-410ec6b333b7 | mp-2228948 | 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 MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural PSb2MgPH2O10
_chemical_formula_sum "P2 Sb2 Mg1 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... |
SwapAtomsAction | e3c393f9-5ff3-41c7-bab1-a19cf6558619 | mp-1218930 | Swap the spatial positions of atoms at indices 5 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Ca2Cu4Bi4O16
_chemical_formula_sum "Sr4 Ca2 Cu4 Bi4 O16"
_cell_length_a 16.11398919
_cell_length_b 16.11398919
_cell_length_c 5.417115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.44549941
_space_group_name... | data_image0
_chemical_formula_structural Sr4CaCuCaCu3Bi4O16
_chemical_formula_sum "Sr4 Ca2 Cu4 Bi4 O16"
_cell_length_a 16.11398919
_cell_length_b 16.11398919
_cell_length_c 5.417115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.44549941
_space_group_n... |
SwapAtomsAction | d3bdd27e-590b-4fd3-8935-dd80cf79dd7f | mp-1212542 | Swap the spatial positions of atoms at indices 21 and 30 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H18C6I2N12O2
_chemical_formula_sum "H18 C6 I2 N12 O2"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 11.644986569999999
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_cell_angle_gamma 109.12017428
_spa... | data_image0
_chemical_formula_structural H18C3NC2I2N4CN7O2
_chemical_formula_sum "H18 C6 N12 I2 O2"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 11.644986569999999
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_cell_angle_gamma 109.12017428
... |
SwapAtomsAction | dadc1aa8-1014-4be6-a933-4a16ce6b195b | mp-1106213 | Swap the spatial positions of atoms at indices 6 and 1 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 NdIrNd2Mg2NdIrO12
_chemical_formula_sum "Nd4 Ir2 Mg2 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_al... |
SwapAtomsAction | 16c0f70e-fcf0-4ef3-97a7-d85d96817b8c | mp-26553 | Swap the spatial positions of atoms at indices 19 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mn3P4O14
_chemical_formula_sum "Li2 Mn3 P4 O14"
_cell_length_a 5.666978
_cell_length_b 6.9959771
_cell_length_c 7.509740429999999
_cell_angle_alpha 73.95862277
_cell_angle_beta 81.95472473999999
_cell_angle_gamma 67.66943656
_sp... | data_image0
_chemical_formula_structural Li2OMn2P4O10MnO3
_chemical_formula_sum "Li2 O14 Mn3 P4"
_cell_length_a 5.666978
_cell_length_b 6.9959771
_cell_length_c 7.509740429999999
_cell_angle_alpha 73.95862277
_cell_angle_beta 81.95472473999999
_cell_angle_gamma 67.66943656... |
SwapAtomsAction | 73dfb6a0-8217-498f-9879-ddfd9e823125 | mp-1195825 | Swap the spatial positions of atoms at indices 2 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si12Br24
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... | data_image0
_chemical_formula_structural Si2BrSi9Br10SiBr13
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.58546984999... |
SwapAtomsAction | 2987d693-0bd0-4b96-b591-413dc742dc2b | mp-556173 | Swap the spatial positions of atoms at indices 18 and 3 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 ZnAs2SC5S9CS2N12O6F12
_chemical_formula_sum "Zn1 As2 S12 C6 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 120.00000365... |
SwapAtomsAction | f6505cb4-c922-48a8-b889-cf44dd6d74f7 | mp-1205485 | 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 Sc2CrReO6
_chemical_formula_sum "Sc2 Cr1 Re1 O6"
_cell_length_a 5.47141408
_cell_length_b 5.47141408
_cell_length_c 5.471414079999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Sc2CrO2ReO4
_chemical_formula_sum "Sc2 Cr1 O6 Re1"
_cell_length_a 5.47141408
_cell_length_b 5.47141408
_cell_length_c 5.471414079999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... |
SwapAtomsAction | 46a66570-d4c0-46dd-b13d-ef92e850f9d5 | mp-1245698 | Swap the spatial positions of atoms at indices 2 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn4Cr4N8
_chemical_formula_sum "Zn4 Cr4 N8"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 5.232644
_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 Zn2NZnCr4N4ZnN3
_chemical_formula_sum "Zn4 N8 Cr4"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 5.232644
_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 | bd7b1937-0728-4af1-9c73-372150815296 | mp-1340075 | Swap the spatial positions of atoms at indices 19 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaNi2P4O14
_chemical_formula_sum "Ca1 Ni2 P4 O14"
_cell_length_a 6.445585
_cell_length_b 6.60223161
_cell_length_c 6.78733247
_cell_angle_alpha 114.17319242
_cell_angle_beta 87.59499806
_cell_angle_gamma 96.91312793999998
_space_gr... | data_image0
_chemical_formula_structural CaNi2P3O13PO
_chemical_formula_sum "Ca1 Ni2 P4 O14"
_cell_length_a 6.445585
_cell_length_b 6.60223161
_cell_length_c 6.78733247
_cell_angle_alpha 114.17319242
_cell_angle_beta 87.59499806
_cell_angle_gamma 96.91312793999998
_space_... |
SwapAtomsAction | 1cd81bec-7d56-4414-bcda-4ead1eea162e | mp-1201234 | Swap the spatial positions of atoms at indices 50 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu4H32S12O40
_chemical_formula_sum "Cu4 H32 S12 O40"
_cell_length_a 20.699305
_cell_length_b 7.209669
_cell_length_c 7.899798069999999
_cell_angle_alpha 61.95298367
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cu4H11OH20S12O2HO37
_chemical_formula_sum "Cu4 H32 O40 S12"
_cell_length_a 20.699305
_cell_length_b 7.209669
_cell_length_c 7.899798069999999
_cell_angle_alpha 61.95298367
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SwapAtomsAction | 8c5a53fa-464b-490d-bcbb-c3b858857dd3 | mp-1173581 | Swap the spatial positions of atoms at indices 47 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Ti8P8O40
_chemical_formula_sum "Na8 Ti8 P8 O40"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_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 Na8Ti2OTi5P8O23TiO16
_chemical_formula_sum "Na8 Ti8 O40 P8"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SwapAtomsAction | 01cfbd65-cf7d-4acf-8b7a-04f5cf4e003b | mp-557500 | Swap the spatial positions of atoms at indices 5 and 2 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 LiNiSPSPS4
_chemical_formula_sum "Li1 Ni1 S6 P2"
_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 | 4860f8e6-28d4-4a28-8f2f-3cfc3384fd90 | mp-1214002 | 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 Ce3P6Pd20
_chemical_formula_sum "Ce3 P6 Pd20"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740000001
... | data_image0
_chemical_formula_structural Ce3P3PdP2Pd4PPd15
_chemical_formula_sum "Ce3 P6 Pd20"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740... |
SwapAtomsAction | b3df14ec-07d3-4341-839e-02819021e07a | mp-1523308 | Swap the spatial positions of atoms at indices 32 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Sr4Gd4Sb4O24
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb4 O24"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ba4Sr3OGd4Sb4O16SrO7
_chemical_formula_sum "Ba4 Sr4 O24 Gd4 Sb4"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SwapAtomsAction | abd96881-010c-4542-af64-91ea1792be1c | mp-566278 | Swap the spatial positions of atoms at indices 15 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural W4O12
_chemical_formula_sum "W4 O12"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_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 WOW2O11W
_chemical_formula_sum "W4 O12"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_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_... |
SwapAtomsAction | 4a9fef92-416b-4765-be3c-b232fe10d04a | mp-849652 | Swap the spatial positions of atoms at indices 10 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Ti2Cu3O10
_chemical_formula_sum "Li3 Ti2 Cu3 O10"
_cell_length_a 5.13238304
_cell_length_b 5.31639157
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001
_cell_angle_gamma 104.26349796
_sp... | data_image0
_chemical_formula_structural Li3Ti2CuOCuO2CuO7
_chemical_formula_sum "Li3 Ti2 Cu3 O10"
_cell_length_a 5.13238304
_cell_length_b 5.31639157
_cell_length_c 7.72914503
_cell_angle_alpha 108.38343907
_cell_angle_beta 98.14914850000001
_cell_angle_gamma 104.26349796... |
SwapAtomsAction | e576a6f1-3e34-488d-9f86-bbd74c830d90 | mp-1103082 | Swap the spatial positions of atoms at indices 0 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm2Co6Ni2B2
_chemical_formula_sum "Sm2 Co6 Ni2 B2"
_cell_length_a 5.02491968
_cell_length_b 5.0237182
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00790056
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural BSmCo6Ni2SmB
_chemical_formula_sum "B2 Sm2 Co6 Ni2"
_cell_length_a 5.02491968
_cell_length_b 5.0237182
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00790056
_space_group_name_H-M_alt ... |
SwapAtomsAction | a75dc7e4-2828-4ef8-aa17-109958f56d14 | mp-554185 | Swap the spatial positions of atoms at indices 15 and 43 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al16P16O64
_chemical_formula_sum "Al16 P16 O64"
_cell_length_a 13.383214
_cell_length_b 13.383214
_cell_length_c 14.232741730000003
_cell_angle_alpha 82.59023077999998
_cell_angle_beta 82.59023077999998
_cell_angle_gamma 62.55849402... | data_image0
_chemical_formula_structural Al15OP16O11AlO52
_chemical_formula_sum "Al16 O64 P16"
_cell_length_a 13.383214
_cell_length_b 13.383214
_cell_length_c 14.232741730000003
_cell_angle_alpha 82.59023077999998
_cell_angle_beta 82.59023077999998
_cell_angle_gamma 62.55... |
SwapAtomsAction | db6eeb9d-c455-4de2-9a41-5a8a66913bfb | mp-757246 | Swap the spatial positions of atoms at indices 22 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Ti6V2O16
_chemical_formula_sum "Li4 Ti6 V2 O16"
_cell_length_a 5.98040853
_cell_length_b 6.07271908
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma 89.68097839
... | data_image0
_chemical_formula_structural Li4OTi5V2O10TiO5
_chemical_formula_sum "Li4 O16 Ti6 V2"
_cell_length_a 5.98040853
_cell_length_b 6.07271908
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma 89.68097... |
SwapAtomsAction | bcba0b5f-eb78-4ea9-869f-7082cb8bb759 | mp-1516711 | Swap the spatial positions of atoms at indices 9 and 27 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 Sr8SmOSm2Nb4O11SmO12
_chemical_formula_sum "Sr8 Sm4 O24 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_al... |
SwapAtomsAction | dfb54872-e8aa-49c9-a991-8e120d02d290 | mp-1236137 | Swap the spatial positions of atoms at indices 17 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiY4Bi4O12
_chemical_formula_sum "Li1 Y4 Bi4 O12"
_cell_length_a 5.96680956
_cell_length_b 6.0726233800000005
_cell_length_c 9.440687
_cell_angle_alpha 92.39237984999998
_cell_angle_beta 88.64828208
_cell_angle_gamma 94.05135863
_s... | data_image0
_chemical_formula_structural LiY4Bi2OBiO8BiO3
_chemical_formula_sum "Li1 Y4 Bi4 O12"
_cell_length_a 5.96680956
_cell_length_b 6.0726233800000005
_cell_length_c 9.440687
_cell_angle_alpha 92.39237984999998
_cell_angle_beta 88.64828208
_cell_angle_gamma 94.051358... |
SwapAtomsAction | dae54388-bfd5-47ac-982b-de71db726f9e | mp-771159 | Swap the spatial positions of atoms at indices 13 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li3OV6W2OLiO14
_chemical_formula_sum "Li4 O16 V6 W2"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90... |
SwapAtomsAction | fa9e4bf9-7294-4d5d-8539-b71ee41fcb89 | mp-505712 | Swap the spatial positions of atoms at indices 9 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se6
_chemical_formula_sum "Cs2 Ho2 Zn2 Se6"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_group_name... | data_image0
_chemical_formula_structural Cs2Ho2ZnSe4ZnSe2
_chemical_formula_sum "Cs2 Ho2 Zn2 Se6"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_group_... |
SwapAtomsAction | 404ff617-3c9b-4ec8-99bf-871854c4de10 | mp-1193265 | Swap the spatial positions of atoms at indices 0 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Sb4Se12
_chemical_formula_sum "Na12 Sb4 Se12"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural SeNa11Sb4Se5NaSe6
_chemical_formula_sum "Se12 Na12 Sb4"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | e59b4e69-ec46-4b47-92df-c5225efed780 | mp-1191147 | Swap the spatial positions of atoms at indices 7 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm2Fe12P7
_chemical_formula_sum "Sm2 Fe12 P7"
_cell_length_a 9.02490835
_cell_length_b 9.02490835
_cell_length_c 3.659076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sm2Fe5PFe6P6Fe
_chemical_formula_sum "Sm2 Fe12 P7"
_cell_length_a 9.02490835
_cell_length_b 9.02490835
_cell_length_c 3.659076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_H-M_alt ... |
SwapAtomsAction | ba465b98-cbd3-41c3-8fc6-c1c94c8a4223 | mp-2236954 | Swap the spatial positions of atoms at indices 0 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co6O6F6
_chemical_formula_sum "Co6 O6 F6"
_cell_length_a 4.5388127
_cell_length_b 4.49083901
_cell_length_c 9.009186039999998
_cell_angle_alpha 89.99284555999999
_cell_angle_beta 91.44723278
_cell_angle_gamma 89.99728025
_space_gro... | data_image0
_chemical_formula_structural FCo5O6F2CoF3
_chemical_formula_sum "F6 Co6 O6"
_cell_length_a 4.5388127
_cell_length_b 4.49083901
_cell_length_c 9.009186039999998
_cell_angle_alpha 89.99284555999999
_cell_angle_beta 91.44723278
_cell_angle_gamma 89.99728025
_spac... |
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