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 | 2ec27c84-8948-48da-827e-267800dadf4a | mp-554409 | Swap the spatial positions of atoms at indices 8 and 58 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na14Fe8P12O48
_chemical_formula_sum "Na14 Fe8 P12 O48"
_cell_length_a 9.8960954
_cell_length_b 9.8960954
_cell_length_c 9.896095039999999
_cell_angle_alpha 86.67409009
_cell_angle_beta 86.67409009
_cell_angle_gamma 86.67408996
_spa... | data_image0
_chemical_formula_structural Na8ONa5Fe8P12O24NaO23
_chemical_formula_sum "Na14 O48 Fe8 P12"
_cell_length_a 9.8960954
_cell_length_b 9.8960954
_cell_length_c 9.896095039999999
_cell_angle_alpha 86.67409009
_cell_angle_beta 86.67409009
_cell_angle_gamma 86.674089... |
SwapAtomsAction | 6b4e9b9c-ca6f-440d-8e70-414bd3b9831a | mp-756993 | 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 Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... | data_image0
_chemical_formula_structural PLi3Co2PLiP2O14
_chemical_formula_sum "P4 Li4 Co2 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_s... |
SwapAtomsAction | 0bd5dd2c-bbab-4aa6-844a-4c6ba4ef37d9 | mp-1019520 | 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 Ba6Ca4Si4N12
_chemical_formula_sum "Ba6 Ca4 Si4 N12"
_cell_length_a 6.13164704
_cell_length_b 6.13164704
_cell_length_c 13.44096987
_cell_angle_alpha 80.18250428
_cell_angle_beta 80.18250428
_cell_angle_gamma 68.29839738
_space_gro... | data_image0
_chemical_formula_structural SiBa5Ca4BaSi3N12
_chemical_formula_sum "Si4 Ba6 Ca4 N12"
_cell_length_a 6.13164704
_cell_length_b 6.13164704
_cell_length_c 13.44096987
_cell_angle_alpha 80.18250428
_cell_angle_beta 80.18250428
_cell_angle_gamma 68.29839738
_space... |
SwapAtomsAction | 6c87467b-be33-4397-bd3c-610da1a4d766 | mp-1023076 | Swap the spatial positions of atoms at indices 14 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2Mg12Mn2
_chemical_formula_sum "Rb2 Mg12 Mn2"
_cell_length_a 5.047298
_cell_length_b 6.619425
_cell_length_c 12.113575
_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 Rb2Mg3MnMg9Mn
_chemical_formula_sum "Rb2 Mg12 Mn2"
_cell_length_a 5.047298
_cell_length_b 6.619425
_cell_length_c 12.113575
_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 | d646e25c-3308-4c55-b4f2-6950df6dab02 | mp-35143 | Swap the spatial positions of atoms at indices 4 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural BaSNb2BaS5
_chemical_formula_sum "Ba2 S6 Nb2"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt... |
SwapAtomsAction | e8051423-4cb4-4b3d-8623-9a53f388d064 | mp-1226671 | 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 Co4P6H22N4O18
_chemical_formula_sum "Co4 P6 H22 N4 O18"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_nam... | data_image0
_chemical_formula_structural Co2PCoP3CoP2H22N4O18
_chemical_formula_sum "Co4 P6 H22 N4 O18"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_gr... |
SwapAtomsAction | c6b69fcf-a01c-4550-bc1c-d210d1a961be | mp-1188153 | Swap the spatial positions of atoms at indices 1 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti10Ga6
_chemical_formula_sum "Ti10 Ga6"
_cell_length_a 4.976478
_cell_length_b 7.67882184
_cell_length_c 7.67882184
_cell_angle_alpha 83.97275885000002
_cell_angle_beta 71.09263475
_cell_angle_gamma 71.09263475
_space_group_name_H... | data_image0
_chemical_formula_structural TiGaTi8Ga2TiGa3
_chemical_formula_sum "Ti10 Ga6"
_cell_length_a 4.976478
_cell_length_b 7.67882184
_cell_length_c 7.67882184
_cell_angle_alpha 83.97275885000002
_cell_angle_beta 71.09263475
_cell_angle_gamma 71.09263475
_space_grou... |
SwapAtomsAction | 6b862960-c6ee-4c9a-b9e9-40c4649092a8 | mp-736701 | Swap the spatial positions of atoms at indices 30 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P16Pt4I4O40
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural P16Pt4IOI2O6IO33
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SwapAtomsAction | e41b7255-d060-4c48-ba23-cbfb58b1ebc2 | mp-1569720 | Swap the spatial positions of atoms at indices 6 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... | data_image0
_chemical_formula_structural Li4Si2NiSiNiSiO12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.51... |
SwapAtomsAction | 929eb5f9-9cc2-46e5-a999-01c7fe1a8c2e | mp-1028023 | Swap the spatial positions of atoms at indices 5 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural YMg14W
_chemical_formula_sum "Y1 Mg14 W1"
_cell_length_a 6.39875587
_cell_length_b 6.39875534
_cell_length_c 10.17357779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural YMg4WMg10
_chemical_formula_sum "Y1 Mg14 W1"
_cell_length_a 6.39875587
_cell_length_b 6.39875534
_cell_length_c 10.17357779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 7138c35e-bf01-42f9-ba3a-0771eb0845b1 | mp-1520242 | 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 BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural BaNaPrO6Se
_chemical_formula_sum "Ba1 Na1 Pr1 O6 Se1"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
SwapAtomsAction | 1ee9640c-ecb1-4d27-b34f-d873c66fbcde | mp-1113343 | 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 Rb2LaCuCl6
_chemical_formula_sum "Rb2 La1 Cu1 Cl6"
_cell_length_a 7.52618154
_cell_length_b 7.52618154
_cell_length_c 7.52618154
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural RbClLaCuCl3RbCl2
_chemical_formula_sum "Rb2 Cl6 La1 Cu1"
_cell_length_a 7.52618154
_cell_length_b 7.52618154
_cell_length_c 7.52618154
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
SwapAtomsAction | 0f9f7c6e-d41f-4a81-8153-953601e69efc | mp-554183 | Swap the spatial positions of atoms at indices 19 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr2Hg6S4Cl12
_chemical_formula_sum "Zr2 Hg6 S4 Cl12"
_cell_length_a 7.544576
_cell_length_b 6.78409
_cell_length_c 13.284343279999998
_cell_angle_alpha 88.5274253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Zr2Hg6SClS2Cl7SCl4
_chemical_formula_sum "Zr2 Hg6 S4 Cl12"
_cell_length_a 7.544576
_cell_length_b 6.78409
_cell_length_c 13.284343279999998
_cell_angle_alpha 88.5274253
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SwapAtomsAction | d86199a2-85a5-4cb9-a072-6b4a63f643b7 | mp-8762 | Swap the spatial positions of atoms at indices 4 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er4OEr3S8O2ErO
_chemical_formula_sum "Er8 O4 S8"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | d45b05f3-897a-4529-9e9e-780c6c6c1176 | mp-28507 | Swap the spatial positions of atoms at indices 11 and 24 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 La11NbLa4Nb8LaNb5S44
_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_... |
SwapAtomsAction | 8320f443-4aa1-4d36-88af-a4289fcf2a5d | mp-975336 | Swap the spatial positions of atoms at indices 14 and 2 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 K2NKC4S4N2KN
_chemical_formula_sum "K4 N4 C4 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... |
SwapAtomsAction | bf216c7a-7477-4e89-83ff-802e6a1593b5 | mp-1073136 | 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 Mg4Si6
_chemical_formula_sum "Mg4 Si6"
_cell_length_a 9.05872674
_cell_length_b 9.05872674
_cell_length_c 5.883903
_cell_angle_alpha 75.27003462
_cell_angle_beta 75.27003462
_cell_angle_gamma 22.43453618
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgSiMg2SiMgSi4
_chemical_formula_sum "Mg4 Si6"
_cell_length_a 9.05872674
_cell_length_b 9.05872674
_cell_length_c 5.883903
_cell_angle_alpha 75.27003462
_cell_angle_beta 75.27003462
_cell_angle_gamma 22.43453618
_space_group_name_H... |
SwapAtomsAction | 287c2632-8b84-4a3b-8951-45aecd607345 | mp-734797 | Swap the spatial positions of atoms at indices 40 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12P16O48
_chemical_formula_sum "Na12 P16 O48"
_cell_length_a 10.093384
_cell_length_b 8.84461
_cell_length_c 14.5321717
_cell_angle_alpha 52.48451104000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na12P6OP9O12PO35
_chemical_formula_sum "Na12 P16 O48"
_cell_length_a 10.093384
_cell_length_b 8.84461
_cell_length_c 14.5321717
_cell_angle_alpha 52.48451104000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SwapAtomsAction | 3ab5bc9b-6fce-41a3-83e0-d37a3b5042bf | mp-1020592 | Swap the spatial positions of atoms at indices 14 and 35 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr8Li4Si8N16O2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_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 Sr8Li4Si2NSi5N15SiO2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 158dcdb1-9bb0-4cf3-9401-f911e6b9dd58 | mp-754319 | Swap the spatial positions of atoms at indices 1 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... | data_image0
_chemical_formula_structural LiOLiNbNi4O5LiO2
_chemical_formula_sum "Li3 O8 Nb1 Ni4"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838... |
SwapAtomsAction | c6d1ff33-4f50-4241-a918-c5cde8a6abb5 | mp-1226356 | Swap the spatial positions of atoms at indices 11 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy20In40Rh19
_chemical_formula_sum "Dy20 In40 Rh19"
_cell_length_a 13.573736
_cell_length_b 13.573736
_cell_length_c 9.436804
_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 Dy11InDy8In4DyIn35Rh19
_chemical_formula_sum "Dy20 In40 Rh19"
_cell_length_a 13.573736
_cell_length_b 13.573736
_cell_length_c 9.436804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 053dab6d-67e8-4a2b-bafa-0d255b1d5881 | mp-1224332 | Swap the spatial positions of atoms at indices 0 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural InAs4Pd15
_chemical_formula_sum "In1 As4 Pd15"
_cell_length_a 18.47709191
_cell_length_b 18.47709191
_cell_length_c 18.47709221
_cell_angle_alpha 13.853155029999996
_cell_angle_beta 13.853155029999996
_cell_angle_gamma 13.8531551699... | data_image0
_chemical_formula_structural PdAs4Pd11InPd3
_chemical_formula_sum "Pd15 As4 In1"
_cell_length_a 18.47709191
_cell_length_b 18.47709191
_cell_length_c 18.47709221
_cell_angle_alpha 13.853155029999996
_cell_angle_beta 13.853155029999996
_cell_angle_gamma 13.85315... |
SwapAtomsAction | b9db12f4-9635-40fd-ba32-b043872e83bc | mp-772223 | Swap the spatial positions of atoms at indices 21 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Fe4B8O24
_chemical_formula_sum "Na12 Fe4 B8 O24"
_cell_length_a 9.571733
_cell_length_b 5.551744
_cell_length_c 11.52601236
_cell_angle_alpha 65.20747392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural NaBNa10Fe4B5NaB2O24
_chemical_formula_sum "Na12 B8 Fe4 O24"
_cell_length_a 9.571733
_cell_length_b 5.551744
_cell_length_c 11.52601236
_cell_angle_alpha 65.20747392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SwapAtomsAction | eaa56770-0ffa-49b9-9d23-42b35daa75a2 | mp-3887 | Swap the spatial positions of atoms at indices 6 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li6GaLi17Ga2LiGa5N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533... |
SwapAtomsAction | 496f0960-6ea2-49e3-be6d-e87a9c3a6128 | mp-1221055 | Swap the spatial positions of atoms at indices 44 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... | data_image0
_chemical_formula_structural NaMg2OAl5VSi6B3H3O22AlO8
_chemical_formula_sum "Na1 Mg2 O31 Al6 V1 Si6 B3 H3"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113... |
SwapAtomsAction | cf76b2d1-beed-435c-897a-4fbeb1bbc02d | mp-753686 | Swap the spatial positions of atoms at indices 24 and 31 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V2Cr2P4O16F4
_chemical_formula_sum "Li4 V2 Cr2 P4 O16 F4"
_cell_length_a 5.37201066
_cell_length_b 10.2257436
_cell_length_c 7.3471609
_cell_angle_alpha 76.01483243999999
_cell_angle_beta 73.07426687
_cell_angle_gamma 99.89994098... | data_image0
_chemical_formula_structural Li4V2Cr2P4O12FO3F3O
_chemical_formula_sum "Li4 V2 Cr2 P4 O16 F4"
_cell_length_a 5.37201066
_cell_length_b 10.2257436
_cell_length_c 7.3471609
_cell_angle_alpha 76.01483243999999
_cell_angle_beta 73.07426687
_cell_angle_gamma 99.8999... |
SwapAtomsAction | 58d5512e-5a3e-4898-a8f7-6209049dd509 | mp-1516711 | Swap the spatial positions of atoms at indices 5 and 19 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 Sr5OSr2Sm4Nb4O3SrO20
_chemical_formula_sum "Sr8 O24 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_al... |
SwapAtomsAction | 8c0907c6-e2b1-43b6-ac7c-6f7c0be57948 | mp-866741 | Swap the spatial positions of atoms at indices 1 and 55 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiNd9Mo16O35
_chemical_formula_sum "Li1 Nd9 Mo16 O35"
_cell_length_a 10.15639579
_cell_length_b 10.15639579
_cell_length_c 9.90256916
_cell_angle_alpha 79.14377329000001
_cell_angle_beta 79.14377329000001
_cell_angle_gamma 50.938229... | data_image0
_chemical_formula_structural LiONd8Mo16O29NdO5
_chemical_formula_sum "Li1 O35 Nd9 Mo16"
_cell_length_a 10.15639579
_cell_length_b 10.15639579
_cell_length_c 9.90256916
_cell_angle_alpha 79.14377329000001
_cell_angle_beta 79.14377329000001
_cell_angle_gamma 50.9... |
SwapAtomsAction | 4ba7dc74-7944-4382-940f-88a9eb0cf609 | mp-757167 | Swap the spatial positions of atoms at indices 31 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Si6Ni6O24
_chemical_formula_sum "Li12 Si6 Ni6 O24"
_cell_length_a 5.01778106
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle_gamma 89.993... | data_image0
_chemical_formula_structural Li7OLi4Si6Ni6O7LiO16
_chemical_formula_sum "Li12 O24 Si6 Ni6"
_cell_length_a 5.01778106
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle_gamma ... |
SwapAtomsAction | 3f18ad4b-727f-40e8-bb42-b2ebe1699a52 | mp-1190262 | Swap the spatial positions of atoms at indices 3 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr3SbZr6Sb3ZrSb2Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_nam... |
SwapAtomsAction | 3c6cf9e7-1544-44b5-b9a3-c7fc08d5f2ad | mp-1110620 | Swap the spatial positions of atoms at indices 0 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural FNaTlCoNaF5
_chemical_formula_sum "F6 Na2 Tl1 Co1"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.999999589999... |
SwapAtomsAction | 97e406ae-5726-4305-8d65-c8c3fed464df | mp-1214585 | 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 Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 Ba2PrCu2OCuO5
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
SwapAtomsAction | 380da001-1bb0-45cb-ad5b-ddef756a58f3 | mp-555776 | Swap the spatial positions of atoms at indices 72 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K12Sc4Mo12O48
_chemical_formula_sum "K12 Sc4 Mo12 O48"
_cell_length_a 9.38062564
_cell_length_b 10.91916168
_cell_length_c 13.68100805
_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 K12ScOSc2Mo12O44ScO3
_chemical_formula_sum "K12 Sc4 O48 Mo12"
_cell_length_a 9.38062564
_cell_length_b 10.91916168
_cell_length_c 13.68100805
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SwapAtomsAction | 142413e3-0cb9-468d-be9e-eee06e314886 | mp-1229067 | 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 Ba10Y5Cu15O32
_chemical_formula_sum "Ba10 Y5 Cu15 O32"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma 90.372... | data_image0
_chemical_formula_structural Ba10Y3CuYCu9YCu5O32
_chemical_formula_sum "Ba10 Y5 Cu15 O32"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma ... |
SwapAtomsAction | df15ffa4-2110-479d-ae63-1b5ac0cc5007 | mp-1020027 | 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 Li16P8O28
_chemical_formula_sum "Li16 P8 O28"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li16P3OP4O18PO9
_chemical_formula_sum "Li16 P8 O28"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | b93b3739-dd3f-4262-b219-f5a34c4754d8 | mp-1179899 | Swap the spatial positions of atoms at indices 19 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pt4N8Cl8O8
_chemical_formula_sum "Pt4 N8 Cl8 O8"
_cell_length_a 7.528554
_cell_length_b 7.528554
_cell_length_c 16.85768
_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 Pt4NClN6Cl7NO8
_chemical_formula_sum "Pt4 N8 Cl8 O8"
_cell_length_a 7.528554
_cell_length_b 7.528554
_cell_length_c 16.85768
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
SwapAtomsAction | 359bb738-7f30-43bf-8720-9a94a33f91d6 | mp-630927 | 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 Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... | data_image0
_chemical_formula_structural BrPb3SeBr5Pb
_chemical_formula_sum "Br6 Pb4 Se1"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_... |
SwapAtomsAction | c8b471bc-44d0-4546-96ca-8de7ff00ce78 | mp-984755 | Swap the spatial positions of atoms at indices 12 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... | data_image0
_chemical_formula_structural Nb8AgOAg3O21
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349... |
SwapAtomsAction | 60c250fa-4c51-48ad-8c59-89adab5c6a1a | mp-560404 | Swap the spatial positions of atoms at indices 4 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In4H4Se4O16
_chemical_formula_sum "In4 H4 Se4 O16"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_group_na... | data_image0
_chemical_formula_structural In4SeH3SeHSe2O16
_chemical_formula_sum "In4 Se4 H4 O16"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_gro... |
SwapAtomsAction | 4217d650-57b3-4458-a9a2-1f7a0032d399 | mp-766179 | Swap the spatial positions of atoms at indices 10 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Si12Bi4O32
_chemical_formula_sum "Li4 Si12 Bi4 O32"
_cell_length_a 7.74983439
_cell_length_b 7.749834389999999
_cell_length_c 12.95761985
_cell_angle_alpha 83.61454607
_cell_angle_beta 83.61454607
_cell_angle_gamma 113.0654753599... | data_image0
_chemical_formula_structural Li4Si6OSi5Bi4O7SiO24
_chemical_formula_sum "Li4 Si12 O32 Bi4"
_cell_length_a 7.74983439
_cell_length_b 7.749834389999999
_cell_length_c 12.95761985
_cell_angle_alpha 83.61454607
_cell_angle_beta 83.61454607
_cell_angle_gamma 113.065... |
SwapAtomsAction | 841a49a5-2b96-4a49-838d-a9aa6531c22b | mp-676665 | Swap the spatial positions of atoms at indices 10 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... | data_image0
_chemical_formula_structural Ba8Ta2OTaTi2Zn2TaO23
_chemical_formula_sum "Ba8 Ta4 O24 Ti2 Zn2"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma ... |
SwapAtomsAction | 47bf7276-942b-4e1a-8750-1b299bb56c28 | mp-1197785 | Swap the spatial positions of atoms at indices 37 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H24C4S8N8
_chemical_formula_sum "H24 C4 S8 N8"
_cell_length_a 8.74992576
_cell_length_b 8.74992576
_cell_length_c 9.477412150000001
_cell_angle_alpha 57.72534230000001
_cell_angle_beta 57.72534230000001
_cell_angle_gamma 64.8671258
... | data_image0
_chemical_formula_structural H8NH15C4S8NHN6
_chemical_formula_sum "H24 N8 C4 S8"
_cell_length_a 8.74992576
_cell_length_b 8.74992576
_cell_length_c 9.477412150000001
_cell_angle_alpha 57.72534230000001
_cell_angle_beta 57.72534230000001
_cell_angle_gamma 64.867... |
SwapAtomsAction | d67aa922-7296-416f-851e-87ae41a813a8 | mp-558208 | Swap the spatial positions of atoms at indices 29 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4In4As8O28
_chemical_formula_sum "Rb4 In4 As8 O28"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
_spac... | data_image0
_chemical_formula_structural ORb3In4As8O13RbO14
_chemical_formula_sum "O28 Rb4 In4 As8"
_cell_length_a 7.998615
_cell_length_b 8.86373573
_cell_length_c 10.69576725
_cell_angle_alpha 91.16349427
_cell_angle_beta 89.94365113
_cell_angle_gamma 105.73091060000002
... |
SwapAtomsAction | 4f134bf4-feaa-4948-aa76-9f39931cccfc | mp-1095479 | Swap the spatial positions of atoms at indices 1 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd4S8
_chemical_formula_sum "Gd4 S8"
_cell_length_a 3.95110384
_cell_length_b 7.91220526
_cell_length_c 7.95801151
_cell_angle_alpha 89.83513708
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural GdSGd2SGdS6
_chemical_formula_sum "Gd4 S8"
_cell_length_a 3.95110384
_cell_length_b 7.91220526
_cell_length_c 7.95801151
_cell_angle_alpha 89.83513708
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | a2a7bbc0-4d27-4967-97a9-f231e32dc03d | mp-1048547 | 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 Zn2Ni4O8
_chemical_formula_sum "Zn2 Ni4 O8"
_cell_length_a 5.62862077
_cell_length_b 5.88821498
_cell_length_c 5.62875115
_cell_angle_alpha 61.43564079000001
_cell_angle_beta 90.00562176
_cell_angle_gamma 118.56359498
_space_group_... | data_image0
_chemical_formula_structural ZnONi4OZnO6
_chemical_formula_sum "Zn2 O8 Ni4"
_cell_length_a 5.62862077
_cell_length_b 5.88821498
_cell_length_c 5.62875115
_cell_angle_alpha 61.43564079000001
_cell_angle_beta 90.00562176
_cell_angle_gamma 118.56359498
_space_gro... |
SwapAtomsAction | 6f4517a2-1082-442f-b30c-336233b207c6 | mp-753610 | 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 Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural BaICa2BaI7
_chemical_formula_sum "Ba2 I8 Ca2"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt... |
SwapAtomsAction | 72dcbe56-a23d-4f84-adcf-d1ea86f8e334 | mp-570363 | 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 Li8Si8
_chemical_formula_sum "Li8 Si8"
_cell_length_a 8.12714356
_cell_length_b 8.12714356
_cell_length_c 8.12714356
_cell_angle_alpha 102.42516628
_cell_angle_beta 102.42516628
_cell_angle_gamma 124.72731542
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li2SiLi6Si7
_chemical_formula_sum "Li8 Si8"
_cell_length_a 8.12714356
_cell_length_b 8.12714356
_cell_length_c 8.12714356
_cell_angle_alpha 102.42516628
_cell_angle_beta 102.42516628
_cell_angle_gamma 124.72731542
_space_group_name... |
SwapAtomsAction | 257bc181-6034-4746-aa08-718153911bce | mp-1179444 | Swap the spatial positions of atoms at indices 23 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Re4C4S4N8Cl12O8
_chemical_formula_sum "Re4 C4 S4 N8 Cl12 O8"
_cell_length_a 7.984612
_cell_length_b 11.601284
_cell_length_c 13.043783
_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 ReClRe2C4S4N8Cl3ReCl8O8
_chemical_formula_sum "Re4 Cl12 C4 S4 N8 O8"
_cell_length_a 7.984612
_cell_length_b 11.601284
_cell_length_c 13.043783
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SwapAtomsAction | 637adc6d-7c9d-4c0c-9f3a-0700ec15ec16 | mp-757139 | 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 Li6TiMn3P6O24
_chemical_formula_sum "Li6 Ti1 Mn3 P6 O24"
_cell_length_a 8.620037
_cell_length_b 8.65660093
_cell_length_c 8.76631981
_cell_angle_alpha 61.44259836
_cell_angle_beta 61.38097025
_cell_angle_gamma 61.406440620000005
_s... | data_image0
_chemical_formula_structural Li6TiMnOMnP6O9MnO14
_chemical_formula_sum "Li6 Ti1 Mn3 O24 P6"
_cell_length_a 8.620037
_cell_length_b 8.65660093
_cell_length_c 8.76631981
_cell_angle_alpha 61.44259836
_cell_angle_beta 61.38097025
_cell_angle_gamma 61.4064406200000... |
SwapAtomsAction | 5e7a5003-a3e9-49d7-b768-cef381ecb530 | mp-1176707 | 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 Li6Fe6F18
_chemical_formula_sum "Li6 Fe6 F18"
_cell_length_a 7.021042
_cell_length_b 7.236590739999999
_cell_length_c 7.87495474
_cell_angle_alpha 94.44735984
_cell_angle_beta 102.93816258
_cell_angle_gamma 90.0939888
_space_group_... | data_image0
_chemical_formula_structural Li2FeLi3Fe2LiFe3F18
_chemical_formula_sum "Li6 Fe6 F18"
_cell_length_a 7.021042
_cell_length_b 7.236590739999999
_cell_length_c 7.87495474
_cell_angle_alpha 94.44735984
_cell_angle_beta 102.93816258
_cell_angle_gamma 90.0939888
_sp... |
SwapAtomsAction | d14a2a22-dff3-4e4f-b558-87df0aa7048d | mp-1209411 | Swap the spatial positions of atoms at indices 10 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr8Si12Pd4
_chemical_formula_sum "Pr8 Si12 Pd4"
_cell_length_a 8.28889643
_cell_length_b 8.28889643
_cell_length_c 8.60635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000341999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr8Si2PdSi9Pd3Si
_chemical_formula_sum "Pr8 Si12 Pd4"
_cell_length_a 8.28889643
_cell_length_b 8.28889643
_cell_length_c 8.60635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000341999998
_space_group_name_H-... |
SwapAtomsAction | 04dc9974-d60f-4c21-aae3-806d209ca7b9 | mp-680506 | Swap the spatial positions of atoms at indices 20 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pt8Cl32
_chemical_formula_sum "Pt8 Cl32"
_cell_length_a 11.484831
_cell_length_b 11.484831
_cell_length_c 11.484831
_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 ClPt7Cl12PtCl19
_chemical_formula_sum "Cl32 Pt8"
_cell_length_a 11.484831
_cell_length_b 11.484831
_cell_length_c 11.484831
_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 | 47e5f136-01cb-4713-94bc-e1838ab44dcb | mp-5169 | Swap the spatial positions of atoms at indices 19 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu8P4O18
_chemical_formula_sum "Cu8 P4 O18"
_cell_length_a 6.26249263
_cell_length_b 7.53373228
_cell_length_c 8.01003258
_cell_angle_alpha 99.32326044
_cell_angle_beta 112.25526268
_cell_angle_gamma 97.98631152
_space_group_name_H... | data_image0
_chemical_formula_structural Cu4OCu3P4O7CuO10
_chemical_formula_sum "Cu8 O18 P4"
_cell_length_a 6.26249263
_cell_length_b 7.53373228
_cell_length_c 8.01003258
_cell_angle_alpha 99.32326044
_cell_angle_beta 112.25526268
_cell_angle_gamma 97.98631152
_space_grou... |
SwapAtomsAction | 3b2ecdbf-8776-4782-a266-6e5a114e662a | mp-6632 | 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 Ca5B3O9F
_chemical_formula_sum "Ca5 B3 O9 F1"
_cell_length_a 9.00706173
_cell_length_b 9.00706173
_cell_length_c 3.53629464
_cell_angle_alpha 85.20363236999998
_cell_angle_beta 85.20363236999998
_cell_angle_gamma 126.24321597
_spac... | data_image0
_chemical_formula_structural Ca2OCa2B3O4CaO4F
_chemical_formula_sum "Ca5 O9 B3 F1"
_cell_length_a 9.00706173
_cell_length_b 9.00706173
_cell_length_c 3.53629464
_cell_angle_alpha 85.20363236999998
_cell_angle_beta 85.20363236999998
_cell_angle_gamma 126.2432159... |
SwapAtomsAction | a5160cd9-1879-4a4b-9f99-3ffebfa1d296 | mp-1356129 | Swap the spatial positions of atoms at indices 24 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe16O24
_chemical_formula_sum "Fe16 O24"
_cell_length_a 8.23347377
_cell_length_b 8.23347377
_cell_length_c 9.492212840000002
_cell_angle_alpha 54.80432635
_cell_angle_beta 54.80432635
_cell_angle_gamma 70.17763754
_space_group_nam... | data_image0
_chemical_formula_structural Fe14OFeO8FeO15
_chemical_formula_sum "Fe16 O24"
_cell_length_a 8.23347377
_cell_length_b 8.23347377
_cell_length_c 9.492212840000002
_cell_angle_alpha 54.80432635
_cell_angle_beta 54.80432635
_cell_angle_gamma 70.17763754
_space_gr... |
SwapAtomsAction | 393908de-673d-4b61-9875-3655c24402bb | mp-1234180 | 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 Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.78146478
_cell_length_b 7.69389385
_cell_length_c 9.90764584
_cell_angle_alpha 112.42220027
_cell_angle_beta 98.9634139
_cell_angle_gamma 94.8287487
_... | data_image0
_chemical_formula_structural Sr2MgZn2PSnP2SnPO16
_chemical_formula_sum "Sr2 Mg1 Zn2 P4 Sn2 O16"
_cell_length_a 5.78146478
_cell_length_b 7.69389385
_cell_length_c 9.90764584
_cell_angle_alpha 112.42220027
_cell_angle_beta 98.9634139
_cell_angle_gamma 94.8287487... |
SwapAtomsAction | de31263d-91b4-49f1-9e09-9be10d4e2c00 | mp-2219373 | Swap the spatial positions of atoms at indices 0 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFe2Co2O8
_chemical_formula_sum "Mg1 Fe2 Co2 O8"
_cell_length_a 5.36442764
_cell_length_b 5.770939509999999
_cell_length_c 4.87736258
_cell_angle_alpha 96.21295982
_cell_angle_beta 85.29789048
_cell_angle_gamma 104.97687678
_space... | data_image0
_chemical_formula_structural OFe2Co2O6MgO
_chemical_formula_sum "O8 Fe2 Co2 Mg1"
_cell_length_a 5.36442764
_cell_length_b 5.770939509999999
_cell_length_c 4.87736258
_cell_angle_alpha 96.21295982
_cell_angle_beta 85.29789048
_cell_angle_gamma 104.97687678
_spa... |
SwapAtomsAction | e7a1c5f2-f16e-4946-a780-ae4ee17aa038 | mp-849387 | Swap the spatial positions of atoms at indices 3 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_space_gro... | data_image0
_chemical_formula_structural Cu3FCu2OF4CuF6
_chemical_formula_sum "Cu6 F11 O1"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_sp... |
SwapAtomsAction | c1219324-e3d7-4ef9-b931-ecfb8cbd6684 | mp-773514 | Swap the spatial positions of atoms at indices 2 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co4O12
_chemical_formula_sum "Li8 Co4 O12"
_cell_length_a 3.290481
_cell_length_b 8.204106
_cell_length_c 9.696948
_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 Li2OLi5Co4O2LiO9
_chemical_formula_sum "Li8 O12 Co4"
_cell_length_a 3.290481
_cell_length_b 8.204106
_cell_length_c 9.696948
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
SwapAtomsAction | 81bf4be7-7dc0-483b-9fad-9512028395d3 | mp-735027 | Swap the spatial positions of atoms at indices 7 and 46 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4S8N4O36
_chemical_formula_sum "V4 S8 N4 O36"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_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 V4S3OS4N4O30SO5
_chemical_formula_sum "V4 S8 O36 N4"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
SwapAtomsAction | aaced88d-45b5-46e1-bec8-6c2abede6215 | mp-18753 | 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 Na3MoO3F3
_chemical_formula_sum "Na3 Mo1 O3 F3"
_cell_length_a 5.80614613
_cell_length_b 5.80614595
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.2925149
_spac... | data_image0
_chemical_formula_structural Na3MoOFOF2O
_chemical_formula_sum "Na3 Mo1 O3 F3"
_cell_length_a 5.80614613
_cell_length_b 5.80614595
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.2925149
_sp... |
SwapAtomsAction | 16fb9fa2-f525-4fe4-b121-1899c26955da | mp-2231666 | Swap the spatial positions of atoms at indices 9 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTiMnV4O12
_chemical_formula_sum "Mg1 Ti1 Mn1 V4 O12"
_cell_length_a 7.20376509
_cell_length_b 7.20367883
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle_beta 100.57141359
_cell_angle_gamma 99.07126477999999
_s... | data_image0
_chemical_formula_structural MgTiMnV3O3VO9
_chemical_formula_sum "Mg1 Ti1 Mn1 V4 O12"
_cell_length_a 7.20376509
_cell_length_b 7.20367883
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle_beta 100.57141359
_cell_angle_gamma 99.07126477999999
... |
SwapAtomsAction | 41dbe092-57b7-473b-a170-6baaff2754d6 | mp-1191291 | Swap the spatial positions of atoms at indices 20 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hg4S2Br8N4O6
_chemical_formula_sum "Hg4 S2 Br8 N4 O6"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Hg4S2Br8N2ONO2NO3
_chemical_formula_sum "Hg4 S2 Br8 N4 O6"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SwapAtomsAction | 27bf6220-2e1c-479a-8153-e59078300ef5 | mp-1022967 | 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 Y2Mg12Fe2
_chemical_formula_sum "Y2 Mg12 Fe2"
_cell_length_a 5.012848
_cell_length_b 5.929416
_cell_length_c 11.597164
_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 Y2Mg4FeMg8Fe
_chemical_formula_sum "Y2 Mg12 Fe2"
_cell_length_a 5.012848
_cell_length_b 5.929416
_cell_length_c 11.597164
_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 | fc521680-3364-4ae6-a4b0-cf08980e50e2 | mp-758700 | Swap the spatial positions of atoms at indices 16 and 40 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Mn12O24
_chemical_formula_sum "Li6 Mn12 O24"
_cell_length_a 6.634875
_cell_length_b 6.647734319999999
_cell_length_c 11.002615149999999
_cell_angle_alpha 94.0771806
_cell_angle_beta 105.88685995
_cell_angle_gamma 98.5352459800000... | data_image0
_chemical_formula_structural Li6Mn10OMnO22MnO
_chemical_formula_sum "Li6 Mn12 O24"
_cell_length_a 6.634875
_cell_length_b 6.647734319999999
_cell_length_c 11.002615149999999
_cell_angle_alpha 94.0771806
_cell_angle_beta 105.88685995
_cell_angle_gamma 98.5352459... |
SwapAtomsAction | a1c73a6a-e16f-41ee-8295-ca8d605b7264 | mp-1573889 | 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 Na8Fe4O12
_chemical_formula_sum "Na8 Fe4 O12"
_cell_length_a 5.39118514
_cell_length_b 10.9576286
_cell_length_c 5.39117953
_cell_angle_alpha 94.87793644999999
_cell_angle_beta 60.00086546000001
_cell_angle_gamma 85.12197187999999
... | data_image0
_chemical_formula_structural NaFeNa6Fe3NaO12
_chemical_formula_sum "Na8 Fe4 O12"
_cell_length_a 5.39118514
_cell_length_b 10.9576286
_cell_length_c 5.39117953
_cell_angle_alpha 94.87793644999999
_cell_angle_beta 60.00086546000001
_cell_angle_gamma 85.1219718799... |
SwapAtomsAction | e26be3fd-b88e-4af9-bbcf-96d18d7c28a2 | mp-540538 | 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 Ga12Fe9
_chemical_formula_sum "Ga12 Fe9"
_cell_length_a 6.32560105
_cell_length_b 6.32560105
_cell_length_c 7.84111013
_cell_angle_alpha 77.2366533
_cell_angle_beta 77.2366533
_cell_angle_gamma 74.59180508
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ga11Fe5GaFe4
_chemical_formula_sum "Ga12 Fe9"
_cell_length_a 6.32560105
_cell_length_b 6.32560105
_cell_length_c 7.84111013
_cell_angle_alpha 77.2366533
_cell_angle_beta 77.2366533
_cell_angle_gamma 74.59180508
_space_group_name_H-... |
SwapAtomsAction | e5797157-2739-4e3c-be75-9b5cfe3073d6 | mp-1228452 | Swap the spatial positions of atoms at indices 1 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... | data_image0
_chemical_formula_structural BaOBaTi3Fe3Bi2OBaO16
_chemical_formula_sum "Ba3 O18 Ti3 Fe3 Bi2"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_... |
SwapAtomsAction | 2e58196e-33cd-44b1-a353-f7fe483c3f75 | mp-1199527 | Swap the spatial positions of atoms at indices 11 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pb4C4N4O24
_chemical_formula_sum "Pb4 C4 N4 O24"
_cell_length_a 8.083615
_cell_length_b 6.208673
_cell_length_c 10.264594690000001
_cell_angle_alpha 75.50864962
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb4C2NCN3CO24
_chemical_formula_sum "Pb4 C4 N4 O24"
_cell_length_a 8.083615
_cell_length_b 6.208673
_cell_length_c 10.264594690000001
_cell_angle_alpha 75.50864962
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SwapAtomsAction | 154cc6aa-5858-436e-a69a-544a6e939b74 | mp-1245440 | 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 Zr8Ga4N12
_chemical_formula_sum "Zr8 Ga4 N12"
_cell_length_a 6.17836567
_cell_length_b 10.67217817
_cell_length_c 10.34272488
_cell_angle_alpha 89.99999736
_cell_angle_beta 96.26513422
_cell_angle_gamma 149.73154969
_space_group_na... | data_image0
_chemical_formula_structural Zr3GaZr5Ga3N12
_chemical_formula_sum "Zr8 Ga4 N12"
_cell_length_a 6.17836567
_cell_length_b 10.67217817
_cell_length_c 10.34272488
_cell_angle_alpha 89.99999736
_cell_angle_beta 96.26513422
_cell_angle_gamma 149.73154969
_space_gro... |
SwapAtomsAction | 93f475be-5221-421d-b8be-c9276afcd56a | mp-30366 | Swap the spatial positions of atoms at indices 2 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca12Au4
_chemical_formula_sum "Ca12 Au4"
_cell_length_a 6.80979443
_cell_length_b 7.78140711
_cell_length_c 9.97863126
_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 Ca2AuCa9Au2CaAu
_chemical_formula_sum "Ca12 Au4"
_cell_length_a 6.80979443
_cell_length_b 7.78140711
_cell_length_c 9.97863126
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | 27f0923e-767d-40e9-92ee-d0bb91f0f423 | mp-1246526 | Swap the spatial positions of atoms at indices 7 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr6Ru4N8
_chemical_formula_sum "Sr6 Ru4 N8"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space_group_... | data_image0
_chemical_formula_structural Sr4RuSrRuSrRu2N8
_chemical_formula_sum "Sr6 Ru4 N8"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_spac... |
SwapAtomsAction | 2ad6f993-490e-4a33-9ff7-a3abead9b320 | mp-740718 | Swap the spatial positions of atoms at indices 0 and 47 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_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 HAl7H39AlH8N16Cl24
_chemical_formula_sum "H48 Al8 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | a112f52a-5d7b-456d-9ae4-5b135a14cab7 | mp-1198663 | Swap the spatial positions of atoms at indices 29 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_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 K6HKLi4H17KH6N12
_chemical_formula_sum "K8 H24 Li4 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | 3227fffe-81cf-47e2-8b9b-0e92b844a0f5 | mp-554739 | Swap the spatial positions of atoms at indices 15 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural C12I4Cl4O8F24
_chemical_formula_sum "C12 I4 Cl4 O8 F24"
_cell_length_a 8.01462
_cell_length_b 10.265198
_cell_length_c 11.32392698
_cell_angle_alpha 78.49942135
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural C12I3OCl4IO7F24
_chemical_formula_sum "C12 I4 O8 Cl4 F24"
_cell_length_a 8.01462
_cell_length_b 10.265198
_cell_length_c 11.32392698
_cell_angle_alpha 78.49942135
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SwapAtomsAction | 8cb0abca-2aa9-44a3-8711-02417454d8e9 | mp-1112428 | Swap the spatial positions of atoms at indices 7 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... | data_image0
_chemical_formula_structural K2EuCl4AuCl2
_chemical_formula_sum "K2 Eu1 Cl6 Au1"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
... |
SwapAtomsAction | 13c0ea1c-3948-43f4-8415-5cdeb58a8303 | mp-571242 | 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 Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural RbClRb6Co4Cl3RbCl12
_chemical_formula_sum "Rb8 Cl16 Co4"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | b82bca9b-7a69-4b40-a661-4d9451276783 | mp-1245133 | Swap the spatial positions of atoms at indices 1 and 50 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.32496439999998
... | data_image0
_chemical_formula_structural SnOSn38O10SnO29
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.32496439... |
SwapAtomsAction | 200a194c-b988-4226-a081-5424c0424c7f | mp-627575 | Swap the spatial positions of atoms at indices 1 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Zr6CBr18
_chemical_formula_sum "K4 Zr6 C1 Br18"
_cell_length_a 10.24659448
_cell_length_b 10.41837033
_cell_length_c 10.51199309
_cell_angle_alpha 118.51662427
_cell_angle_beta 100.16129462
_cell_angle_gamma 103.98655482
_space_g... | data_image0
_chemical_formula_structural KBrK2Zr6CBr15KBr2
_chemical_formula_sum "K4 Br18 Zr6 C1"
_cell_length_a 10.24659448
_cell_length_b 10.41837033
_cell_length_c 10.51199309
_cell_angle_alpha 118.51662427
_cell_angle_beta 100.16129462
_cell_angle_gamma 103.98655482
_... |
SwapAtomsAction | 2a3c2494-fb4d-4bca-a2e6-a934bb10b89a | mp-695373 | Swap the spatial positions of atoms at indices 66 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Al11Si13Ag7O48
_chemical_formula_sum "Na4 Al11 Si13 Ag7 O48"
_cell_length_a 12.086726
_cell_length_b 12.455229320000003
_cell_length_c 12.79279253
_cell_angle_alpha 90.17142058
_cell_angle_beta 91.25661537
_cell_angle_gamma 90.04... | data_image0
_chemical_formula_structural Na4Al11Si9OSi3Ag7O31SiO16
_chemical_formula_sum "Na4 Al11 Si13 O48 Ag7"
_cell_length_a 12.086726
_cell_length_b 12.455229320000003
_cell_length_c 12.79279253
_cell_angle_alpha 90.17142058
_cell_angle_beta 91.25661537
_cell_angle_gamma ... |
SwapAtomsAction | c22886cc-166b-4444-a5a6-218198e2ce19 | mp-1210947 | Swap the spatial positions of atoms at indices 4 and 3 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 Lu2AgWAgW3O16
_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... |
SwapAtomsAction | f5d6e8bb-ca1e-4e90-839e-095501e7d49b | mp-613620 | Swap the spatial positions of atoms at indices 11 and 25 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rh16O24
_chemical_formula_sum "Rh16 O24"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rh11ORh4O9RhO14
_chemical_formula_sum "Rh16 O24"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_na... |
SwapAtomsAction | 1a7ba3b6-76c6-40e3-9b72-d3363649dedd | mp-22575 | 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 Sc12As8
_chemical_formula_sum "Sc12 As8"
_cell_length_a 3.83119668
_cell_length_b 10.43635929
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural AsSc12As7
_chemical_formula_sum "As8 Sc12"
_cell_length_a 3.83119668
_cell_length_b 10.43635929
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | b7cad90a-7449-4615-9e16-d9c7c81cc2b4 | mp-1216434 | Swap the spatial positions of atoms at indices 37 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr8Ti2Pb10O30
_chemical_formula_sum "Zr8 Ti2 Pb10 O30"
_cell_length_a 5.88360107
_cell_length_b 5.95084711
_cell_length_c 24.281719929999998
_cell_angle_alpha 96.61879256
_cell_angle_beta 89.98413505000002
_cell_angle_gamma 119.6220... | data_image0
_chemical_formula_structural Zr8Ti2PbOPb8O17PbO12
_chemical_formula_sum "Zr8 Ti2 Pb10 O30"
_cell_length_a 5.88360107
_cell_length_b 5.95084711
_cell_length_c 24.281719929999998
_cell_angle_alpha 96.61879256
_cell_angle_beta 89.98413505000002
_cell_angle_gamma 1... |
SwapAtomsAction | 5210c0d5-5dad-4815-82c0-2c40ff3926d8 | mp-554749 | Swap the spatial positions of atoms at indices 10 and 62 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... | data_image0
_chemical_formula_structural P10OP7Ir6O38PO15
_chemical_formula_sum "P18 O54 Ir6"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_g... |
SwapAtomsAction | 0a225756-ab95-4137-b00e-2d36bf74f691 | mp-542019 | Swap the spatial positions of atoms at indices 5 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Np10Ge6
_chemical_formula_sum "Np10 Ge6"
_cell_length_a 8.14251062
_cell_length_b 8.14251062
_cell_length_c 8.14251062
_cell_angle_alpha 95.58295889
_cell_angle_beta 95.58295889
_cell_angle_gamma 143.65143751
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Np5GeNp4GeNpGe4
_chemical_formula_sum "Np10 Ge6"
_cell_length_a 8.14251062
_cell_length_b 8.14251062
_cell_length_c 8.14251062
_cell_angle_alpha 95.58295889
_cell_angle_beta 95.58295889
_cell_angle_gamma 143.65143751
_space_group_n... |
SwapAtomsAction | 30849e38-0d15-436c-9b7b-ed3af3ccac76 | mp-1209789 | Swap the spatial positions of atoms at indices 14 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4Rh6Pb19
_chemical_formula_sum "Sm4 Rh6 Pb19"
_cell_length_a 10.2691543
_cell_length_b 10.2691543
_cell_length_c 10.2691543
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural PbSm3Rh6Pb4SmPb14
_chemical_formula_sum "Pb19 Sm4 Rh6"
_cell_length_a 10.2691543
_cell_length_b 10.2691543
_cell_length_c 10.2691543
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space... |
SwapAtomsAction | 10d3cd15-0f58-4bba-9f0f-26257f49b6b2 | mp-625159 | Swap the spatial positions of atoms at indices 22 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H12Cl4O20
_chemical_formula_sum "H12 Cl4 O20"
_cell_length_a 5.597968
_cell_length_b 7.262629
_cell_length_c 9.024575
_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 H12OCl3O6ClO13
_chemical_formula_sum "H12 O20 Cl4"
_cell_length_a 5.597968
_cell_length_b 7.262629
_cell_length_c 9.024575
_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 | 82e49e72-cfc2-417a-873f-36138084b5b7 | mp-1523324 | Swap the spatial positions of atoms at indices 8 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2MnSnO6
_chemical_formula_sum "Sr2 Mn1 Sn1 O6"
_cell_length_a 5.63969519
_cell_length_b 5.63969519
_cell_length_c 5.639695189999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural SrOMnSnO4SrO
_chemical_formula_sum "Sr2 O6 Mn1 Sn1"
_cell_length_a 5.63969519
_cell_length_b 5.63969519
_cell_length_c 5.639695189999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... |
SwapAtomsAction | 2704aef9-ed24-4dbf-bea4-74e780906644 | mp-560156 | 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 Sr4Tl4V4O16
_chemical_formula_sum "Sr4 Tl4 V4 O16"
_cell_length_a 5.955183
_cell_length_b 7.66787
_cell_length_c 10.189353
_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 Sr2VSrTl4V3SrO16
_chemical_formula_sum "Sr4 V4 Tl4 O16"
_cell_length_a 5.955183
_cell_length_b 7.66787
_cell_length_c 10.189353
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | b3dd964d-2e06-4bb1-99c9-9494039e35bc | mp-33255 | Swap the spatial positions of atoms at indices 29 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni15O16
_chemical_formula_sum "Ni15 O16"
_cell_length_a 10.69415359
_cell_length_b 10.69415359
_cell_length_c 10.6941532
_cell_angle_alpha 32.04801955
_cell_angle_beta 32.04801954999999
_cell_angle_gamma 32.04802247000001
_space_gr... | data_image0
_chemical_formula_structural Ni10ONi4O14NiO
_chemical_formula_sum "Ni15 O16"
_cell_length_a 10.69415359
_cell_length_b 10.69415359
_cell_length_c 10.6941532
_cell_angle_alpha 32.04801955
_cell_angle_beta 32.04801954999999
_cell_angle_gamma 32.04802247000001
_s... |
SwapAtomsAction | 8bacfa07-8709-4590-9027-b88cfd50ec55 | mp-752419 | Swap the spatial positions of atoms at indices 2 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Ca4I16
_chemical_formula_sum "Sr4 Ca4 I16"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sr2ISrCa4I5SrI10
_chemical_formula_sum "Sr4 I16 Ca4"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | cec730e8-3c70-41a9-9641-c89d21d6a904 | mp-570506 | Swap the spatial positions of atoms at indices 8 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr4I8
_chemical_formula_sum "Zr4 I8"
_cell_length_a 3.77437288
_cell_length_b 6.91824678
_cell_length_c 15.61077985
_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 ZrIZr2I4ZrI3
_chemical_formula_sum "Zr4 I8"
_cell_length_a 3.77437288
_cell_length_b 6.91824678
_cell_length_c 15.61077985
_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 | 8772fb63-d85d-4b03-bb69-1146d2609228 | mp-780431 | Swap the spatial positions of atoms at indices 75 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Fe8P8H16O40
_chemical_formula_sum "Li8 Fe8 P8 H16 O40"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_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 Li8Fe8P5OP2H16O35PO4
_chemical_formula_sum "Li8 Fe8 P8 O40 H16"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | a28bb18a-1aaf-4509-bc30-ff70728663c9 | mp-1225649 | Swap the spatial positions of atoms at indices 9 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er4Al4Fe4
_chemical_formula_sum "Er4 Al4 Fe4"
_cell_length_a 5.31253061
_cell_length_b 5.31253061
_cell_length_c 8.71620123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.32671753999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Er4Al3Fe2AlFe2
_chemical_formula_sum "Er4 Al4 Fe4"
_cell_length_a 5.31253061
_cell_length_b 5.31253061
_cell_length_c 8.71620123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.32671753999999
_space_group_name_H-... |
SwapAtomsAction | c9e10121-ae7d-465f-b875-a1f404d1fb9f | mp-1306670 | Swap the spatial positions of atoms at indices 29 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Ti2Ni6O16
_chemical_formula_sum "Li6 Ti2 Ni6 O16"
_cell_length_a 5.8156342
_cell_length_b 5.870601
_cell_length_c 10.035355149999997
_cell_angle_alpha 88.64157279999999
_cell_angle_beta 106.33273585
_cell_angle_gamma 118.96438166... | data_image0
_chemical_formula_structural OLi5Ti2Ni6O15Li
_chemical_formula_sum "O16 Li6 Ti2 Ni6"
_cell_length_a 5.8156342
_cell_length_b 5.870601
_cell_length_c 10.035355149999997
_cell_angle_alpha 88.64157279999999
_cell_angle_beta 106.33273585
_cell_angle_gamma 118.96438... |
SwapAtomsAction | 1092005b-f4f4-4fce-b16e-94751c9242de | mp-1027965 | 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 YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg5YMg9Ga
_chemical_formula_sum "Mg14 Y1 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_a... |
SwapAtomsAction | e5546557-f500-4075-930a-642630b61108 | mp-29778 | Swap the spatial positions of atoms at indices 18 and 2 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 Nd2GeNd5Ge10NdGe3
_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... |
SwapAtomsAction | 7406fc52-faf9-4c55-807d-3afbf5aa0070 | mp-762220 | Swap the spatial positions of atoms at indices 26 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Cu8P8O32
_chemical_formula_sum "Li8 Cu8 P8 O32"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_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 Li8Cu8POP6O2PO29
_chemical_formula_sum "Li8 Cu8 P8 O32"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | b8700f6a-73c6-4a9f-a4b2-d63ad03a9fdb | mp-530303 | Swap the spatial positions of atoms at indices 3 and 34 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg8Ga16O32
_chemical_formula_sum "Mg8 Ga16 O32"
_cell_length_a 5.93530032
_cell_length_b 5.93530032
_cell_length_c 19.652703019999997
_cell_angle_alpha 81.47070874
_cell_angle_beta 81.47070874
_cell_angle_gamma 60.480380989999986
_... | data_image0
_chemical_formula_structural Mg3OMg4Ga16O10MgO21
_chemical_formula_sum "Mg8 O32 Ga16"
_cell_length_a 5.93530032
_cell_length_b 5.93530032
_cell_length_c 19.652703019999997
_cell_angle_alpha 81.47070874
_cell_angle_beta 81.47070874
_cell_angle_gamma 60.480380989... |
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