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 | 23faffdb-c94d-473f-8012-6bbae3dd3337 | mp-850933 | Swap the spatial positions of atoms at indices 10 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.3298373
_cell_length_b 7.3298373
_cell_length_c 6.441564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.54122322
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Fe5OFe2O2FeO11F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.3298373
_cell_length_b 7.3298373
_cell_length_c 6.441564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.54122322
_space_group_name_H-M_alt ... |
SwapAtomsAction | 29769966-fd44-4dfb-af20-e0eed3eddd5f | mp-1102559 | 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 Nb4Se8
_chemical_formula_sum "Nb4 Se8"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural SeNb3Se6NbSe
_chemical_formula_sum "Se8 Nb4"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_group_name_H-M_alt... |
SwapAtomsAction | 044c4add-1b96-47f9-ad00-0d7fbd4b6117 | mp-979979 | Swap the spatial positions of atoms at indices 14 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm6Sb8Au6
_chemical_formula_sum "Sm6 Sb8 Au6"
_cell_length_a 8.66406727
_cell_length_b 8.66406727
_cell_length_c 8.66406727
_cell_angle_alpha 109.47119828
_cell_angle_beta 109.47119828
_cell_angle_gamma 109.47119828
_space_group_na... | data_image0
_chemical_formula_structural Sm6SbAuSb7Au5
_chemical_formula_sum "Sm6 Sb8 Au6"
_cell_length_a 8.66406727
_cell_length_b 8.66406727
_cell_length_c 8.66406727
_cell_angle_alpha 109.47119828
_cell_angle_beta 109.47119828
_cell_angle_gamma 109.47119828
_space_grou... |
SwapAtomsAction | e1de780d-24d2-4bb5-80b4-fa6206cdd38c | mp-1196015 | Swap the spatial positions of atoms at indices 16 and 1 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 CsSCs6P4Au4CsS15
_chemical_formula_sum "Cs8 S16 P4 Au4"
_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"... |
SwapAtomsAction | 0bd5fe65-73c7-4c5f-b412-30903379a133 | mp-756272 | Swap the spatial positions of atoms at indices 7 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4Dy4O12
_chemical_formula_sum "La4 Dy4 O12"
_cell_length_a 5.941605
_cell_length_b 6.1279
_cell_length_c 8.576976
_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 La4Dy3O4DyO8
_chemical_formula_sum "La4 Dy4 O12"
_cell_length_a 5.941605
_cell_length_b 6.1279
_cell_length_c 8.576976
_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 | 0e6147f8-7aed-4ba0-b530-0b91c6c5931d | mp-756666 | 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 Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 10.31772053
_cell_length_b 10.31772053
_cell_length_c 10.31772053
_cell_angle_alpha 133.39603304999997
_cell_angle_beta 133.39603304999997
_cell_angle_gamma 68.03288288
_sp... | data_image0
_chemical_formula_structural BaICa2I2BaI5
_chemical_formula_sum "Ba2 I8 Ca2"
_cell_length_a 10.31772053
_cell_length_b 10.31772053
_cell_length_c 10.31772053
_cell_angle_alpha 133.39603304999997
_cell_angle_beta 133.39603304999997
_cell_angle_gamma 68.03288288
... |
SwapAtomsAction | d38fd449-63ed-4756-90a0-a545ef4b10f7 | mp-1179847 | 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 Pt4N8Cl8
_chemical_formula_sum "Pt4 N8 Cl8"
_cell_length_a 5.209054
_cell_length_b 9.201537
_cell_length_c 9.42545
_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 Pt2NPt2N7Cl8
_chemical_formula_sum "Pt4 N8 Cl8"
_cell_length_a 5.209054
_cell_length_b 9.201537
_cell_length_c 9.42545
_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 | 01f61f22-f8ea-4a3f-8a31-2786b4d0dc36 | mp-8081 | Swap the spatial positions of atoms at indices 10 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Sn2F12
_chemical_formula_sum "Na4 Sn2 F12"
_cell_length_a 5.02261199
_cell_length_b 5.02261199
_cell_length_c 10.03062163
_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 Na2FNaSn2F4NaF7
_chemical_formula_sum "Na4 F12 Sn2"
_cell_length_a 5.02261199
_cell_length_b 5.02261199
_cell_length_c 10.03062163
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 5c97ad66-b94b-4f5b-bba1-e46578cfa2a3 | mp-23565 | Swap the spatial positions of atoms at indices 3 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr4AgBiO14
_chemical_formula_sum "Cr4 Ag1 Bi1 O14"
_cell_length_a 7.38139862
_cell_length_b 7.38139862
_cell_length_c 7.381398620000001
_cell_angle_alpha 108.40324961
_cell_angle_beta 108.40324961
_cell_angle_gamma 111.6289498199999... | data_image0
_chemical_formula_structural Cr3OAgBiO11CrO2
_chemical_formula_sum "Cr4 O14 Ag1 Bi1"
_cell_length_a 7.38139862
_cell_length_b 7.38139862
_cell_length_c 7.381398620000001
_cell_angle_alpha 108.40324961
_cell_angle_beta 108.40324961
_cell_angle_gamma 111.62894981... |
SwapAtomsAction | 7401973d-7ebd-4912-bfbc-28f013afe6ed | mp-1197284 | Swap the spatial positions of atoms at indices 29 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural B12Pb6O22F4
_chemical_formula_sum "B12 Pb6 O22 F4"
_cell_length_a 8.455164
_cell_length_b 6.688282
_cell_length_c 10.14979484
_cell_angle_alpha 76.62846595
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BOB10Pb6O11BO10F4
_chemical_formula_sum "B12 O22 Pb6 F4"
_cell_length_a 8.455164
_cell_length_b 6.688282
_cell_length_c 10.14979484
_cell_angle_alpha 76.62846595
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | 96fa7055-f977-4a02-9de8-f5590c29c6ce | mp-1520792 | 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 KLaZrTiO6
_chemical_formula_sum "K1 La1 Zr1 Ti1 O6"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.00... | data_image0
_chemical_formula_structural KZrLaTiO6
_chemical_formula_sum "K1 Zr1 La1 Ti1 O6"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.00... |
SwapAtomsAction | 8b84ff7f-0561-48d8-a335-8d53d9b33807 | mp-1182975 | Swap the spatial positions of atoms at indices 8 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al2N8Cl8
_chemical_formula_sum "Al2 N8 Cl8"
_cell_length_a 9.69665784
_cell_length_b 9.69665784
_cell_length_c 4.07384405
_cell_angle_alpha 83.34149431000002
_cell_angle_beta 83.34149431000002
_cell_angle_gamma 62.09078063
_space_g... | data_image0
_chemical_formula_structural NAlN6AlNCl8
_chemical_formula_sum "N8 Al2 Cl8"
_cell_length_a 9.69665784
_cell_length_b 9.69665784
_cell_length_c 4.07384405
_cell_angle_alpha 83.34149431000002
_cell_angle_beta 83.34149431000002
_cell_angle_gamma 62.09078063
_spac... |
SwapAtomsAction | 66ae7eab-b340-4aef-9946-4777f397ac92 | mp-1214464 | Swap the spatial positions of atoms at indices 1 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Nb2O24F4
_chemical_formula_sum "Ca2 Nb2 O24 F4"
_cell_length_a 7.59644815
_cell_length_b 7.5964481500000005
_cell_length_c 7.59644815
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999... | data_image0
_chemical_formula_structural CaONb2O6CaO17F4
_chemical_formula_sum "Ca2 O24 Nb2 F4"
_cell_length_a 7.59644815
_cell_length_b 7.5964481500000005
_cell_length_c 7.59644815
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... |
SwapAtomsAction | c522fed6-0f59-49b8-9459-f70e3e413cb4 | mp-10091 | 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 K2V2Cu4Se8
_chemical_formula_sum "K2 V2 Cu4 Se8"
_cell_length_a 9.80277711
_cell_length_b 9.80277711
_cell_length_c 7.708865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74359664
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural K2SeVCu4Se4VSe3
_chemical_formula_sum "K2 Se8 V2 Cu4"
_cell_length_a 9.80277711
_cell_length_b 9.80277711
_cell_length_c 7.708865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74359664
_space_group_name_H-M_alt... |
SwapAtomsAction | 516b51eb-09c8-455d-bc88-301b76103905 | mp-1190979 | 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 Sc16Ir8
_chemical_formula_sum "Sc16 Ir8"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural ScIrSc14Ir5ScIr2
_chemical_formula_sum "Sc16 Ir8"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.999999999999... |
SwapAtomsAction | aff1bf97-1d5e-41a8-9db0-c0dba5c7caec | mp-1201588 | Swap the spatial positions of atoms at indices 0 and 33 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd12Fe26Hg2
_chemical_formula_sum "Nd12 Fe26 Hg2"
_cell_length_a 8.093624
_cell_length_b 8.093624
_cell_length_c 12.82748412
_cell_angle_alpha 108.38978071999999
_cell_angle_beta 108.38978071999999
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural FeNd11Fe21NdFe4Hg2
_chemical_formula_sum "Fe26 Nd12 Hg2"
_cell_length_a 8.093624
_cell_length_b 8.093624
_cell_length_c 12.82748412
_cell_angle_alpha 108.38978071999999
_cell_angle_beta 108.38978071999999
_cell_angle_gamma 90.0
_sp... |
SwapAtomsAction | b0a4ae1a-8144-4eaa-a157-140b1cc1ee7b | mp-23675 | 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 H8Br2N2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_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 H3BrH5BrN2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_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 | bff21180-18a0-4dfa-bcbc-eef5409c0e98 | mp-1182382 | 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 Ca2O20
_chemical_formula_sum "Ca2 O20"
_cell_length_a 5.608848
_cell_length_b 5.608848
_cell_length_c 8.40503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_nu... | data_image0
_chemical_formula_structural OCaO3CaO16
_chemical_formula_sum "O20 Ca2"
_cell_length_a 5.608848
_cell_length_b 5.608848
_cell_length_c 8.40503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... |
SwapAtomsAction | c06fd0a2-88f1-4314-acf1-828526923812 | mp-1223078 | Swap the spatial positions of atoms at indices 9 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4PtO7
_chemical_formula_sum "La4 Pt1 O7"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group_name_... | data_image0
_chemical_formula_structural La2OLaPtO4LaO2
_chemical_formula_sum "La4 O7 Pt1"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_grou... |
SwapAtomsAction | 8ce798b7-b6b0-4d0c-ba54-c4a930ac82eb | mp-567505 | Swap the spatial positions of atoms at indices 0 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural CSi7CSiC6
_chemical_formula_sum "C8 Si8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt ... |
SwapAtomsAction | 204cdf52-c959-4e65-8ba8-b37d7f826cb1 | mp-2232136 | Swap the spatial positions of atoms at indices 13 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2RbTbMgV2O8
_chemical_formula_sum "K2 Rb1 Tb1 Mg1 V2 O8"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 8.38343734
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_gamma 119.88352324999998
_space_gr... | data_image0
_chemical_formula_structural K2RbTbMgOVO6VO
_chemical_formula_sum "K2 Rb1 Tb1 Mg1 O8 V2"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 8.38343734
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_gamma 119.88352324999998
_space_... |
SwapAtomsAction | 0ea4da0d-11a6-4e04-9ec0-387f194e771a | mp-768242 | 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 Pt4O12
_chemical_formula_sum "Pt4 O12"
_cell_length_a 4.92863
_cell_length_b 5.027478
_cell_length_c 7.210065
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_nu... | data_image0
_chemical_formula_structural PtOPt2O9PtO2
_chemical_formula_sum "Pt4 O12"
_cell_length_a 4.92863
_cell_length_b 5.027478
_cell_length_c 7.210065
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
SwapAtomsAction | 66d23801-c8fd-4324-a7dc-83249eea072e | mp-540477 | 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 Li2MnP4O12
_chemical_formula_sum "Li2 Mn1 P4 O12"
_cell_length_a 5.000676
_cell_length_b 7.1133524
_cell_length_c 7.53390146
_cell_angle_alpha 113.78511957
_cell_angle_beta 83.76622122999999
_cell_angle_gamma 107.98866200000002
_sp... | data_image0
_chemical_formula_structural OLiMnP4LiO11
_chemical_formula_sum "O12 Li2 Mn1 P4"
_cell_length_a 5.000676
_cell_length_b 7.1133524
_cell_length_c 7.53390146
_cell_angle_alpha 113.78511957
_cell_angle_beta 83.76622122999999
_cell_angle_gamma 107.98866200000002
_... |
SwapAtomsAction | 695e5740-9bb7-4544-9997-76a19ebc8f37 | mp-1219571 | 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 Rb2Mg2Cr2F12
_chemical_formula_sum "Rb2 Mg2 Cr2 F12"
_cell_length_a 7.34984894
_cell_length_b 7.34984894
_cell_length_c 7.34984894
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell_angle_gamma 89.70774276
_space_gr... | data_image0
_chemical_formula_structural FRbMg2Cr2F2RbF9
_chemical_formula_sum "F12 Rb2 Mg2 Cr2"
_cell_length_a 7.34984894
_cell_length_b 7.34984894
_cell_length_c 7.34984894
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell_angle_gamma 89.70774276
_space... |
SwapAtomsAction | 2cd85f5a-70d1-4755-b31d-09976019f007 | mp-1200661 | Swap the spatial positions of atoms at indices 39 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Na12In36
_chemical_formula_sum "K4 Na12 In36"
_cell_length_a 9.90093006
_cell_length_b 9.90093006
_cell_length_c 17.79098968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.70560703999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural K4Na4InNa7In23NaIn12
_chemical_formula_sum "K4 Na12 In36"
_cell_length_a 9.90093006
_cell_length_b 9.90093006
_cell_length_c 17.79098968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.70560703999999
_space_group... |
SwapAtomsAction | e0806aab-3080-4715-ba65-d795b3785f28 | mp-1198231 | Swap the spatial positions of atoms at indices 20 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl8V8P8O48
_chemical_formula_sum "Tl8 V8 P8 O48"
_cell_length_a 6.827148
_cell_length_b 9.69264
_cell_length_c 18.06332
_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 Tl4PTl3V8P4TlP3O48
_chemical_formula_sum "Tl8 P8 V8 O48"
_cell_length_a 6.827148
_cell_length_b 9.69264
_cell_length_c 18.06332
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 830dc844-0adc-4350-9db2-d4e56d4a7c7b | mp-752818 | Swap the spatial positions of atoms at indices 1 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Co7O3F13
_chemical_formula_sum "Li4 Co7 O3 F13"
_cell_length_a 6.17185525
_cell_length_b 6.09317751
_cell_length_c 10.53983558
_cell_angle_alpha 105.48486365
_cell_angle_beta 73.19645649
_cell_angle_gamma 120.72935656
_space_gro... | data_image0
_chemical_formula_structural LiCoLi2Co6LiO3F13
_chemical_formula_sum "Li4 Co7 O3 F13"
_cell_length_a 6.17185525
_cell_length_b 6.09317751
_cell_length_c 10.53983558
_cell_angle_alpha 105.48486365
_cell_angle_beta 73.19645649
_cell_angle_gamma 120.72935656
_spa... |
SwapAtomsAction | f48eff9f-3373-4ec6-bec5-e7eb83f6e094 | mp-1218449 | 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 Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural OSrCa6Ir2O9SrO2
_chemical_formula_sum "O12 Sr2 Ca6 Ir2"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group... |
SwapAtomsAction | ccd5124e-edc1-4260-8674-3155060c5b9d | mp-1182238 | Swap the spatial positions of atoms at indices 7 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8O16
_chemical_formula_sum "Ba8 O16"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba7O14BaO2
_chemical_formula_sum "Ba8 O16"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | f804bd4a-f00b-461b-822d-55fe03932235 | mp-627591 | Swap the spatial positions of atoms at indices 15 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_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 Fe8SSi3S3SiS12
_chemical_formula_sum "Fe8 S16 Si4"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_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 | 4bdb689a-135a-4db7-94bc-3b105754ff2f | mp-22106 | 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 Nd4Ni4O12
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_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 Nd4Ni2ONiONiO10
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 8b4e1322-d517-470a-b12c-005530100260 | mp-27707 | Swap the spatial positions of atoms at indices 2 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2Co2Cl6
_chemical_formula_sum "Rb2 Co2 Cl6"
_cell_length_a 7.01762171
_cell_length_b 7.01762004
_cell_length_c 5.94230516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998953
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Rb2ClCoCl2CoCl3
_chemical_formula_sum "Rb2 Cl6 Co2"
_cell_length_a 7.01762171
_cell_length_b 7.01762004
_cell_length_c 5.94230516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998953
_space_group_name_H-M_alt... |
SwapAtomsAction | 29cef103-0ad5-4924-b44c-b1fe8c4d65d4 | mp-1196261 | Swap the spatial positions of atoms at indices 1 and 46 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb8Xe4F38
_chemical_formula_sum "Sb8 Xe4 F38"
_cell_length_a 8.929818
_cell_length_b 10.95166
_cell_length_c 15.92144232
_cell_angle_alpha 50.14639231
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural SbFSb6Xe4F34SbF3
_chemical_formula_sum "Sb8 F38 Xe4"
_cell_length_a 8.929818
_cell_length_b 10.95166
_cell_length_c 15.92144232
_cell_angle_alpha 50.14639231
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | cc09d9a2-8a90-4e1d-b6f1-506792f0e115 | mp-559062 | Swap the spatial positions of atoms at indices 11 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4P4O8F8
_chemical_formula_sum "K4 P4 O8 F8"
_cell_length_a 6.16242579
_cell_length_b 7.53508156
_cell_length_c 7.89272309
_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 K2OKP4O3KO4F8
_chemical_formula_sum "K4 O8 P4 F8"
_cell_length_a 6.16242579
_cell_length_b 7.53508156
_cell_length_c 7.89272309
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 6f8f49e9-29f8-46ed-be08-5f2f5ddbf7fc | mp-1223827 | 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 K2NaNbO2F4
_chemical_formula_sum "K2 Na1 Nb1 O2 F4"
_cell_length_a 6.08373758
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_gamma 91.30380248
_space_gro... | data_image0
_chemical_formula_structural KONaNbKOF4
_chemical_formula_sum "K2 O2 Na1 Nb1 F4"
_cell_length_a 6.08373758
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_gamma 91.30380248
_space_gro... |
SwapAtomsAction | 95a12add-9201-4b6a-82ff-39ef498546fc | mp-1043245 | 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 Co2Ge4O12
_chemical_formula_sum "Co2 Ge4 O12"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 5.552864590000001
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_angle_gamma 83.37240365
_spa... | data_image0
_chemical_formula_structural Co2OGe3OGeO10
_chemical_formula_sum "Co2 O12 Ge4"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 5.552864590000001
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_angle_gamma 83.37240365
... |
SwapAtomsAction | bec2fc09-65b4-4f6a-8d42-9242bf7cd039 | mp-1043973 | Swap the spatial positions of atoms at indices 4 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn2W8O18
_chemical_formula_sum "Zn2 W8 O18"
_cell_length_a 9.78948
_cell_length_b 9.78948
_cell_length_c 3.87883
_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 Zn2W2OW5O14WO3
_chemical_formula_sum "Zn2 W8 O18"
_cell_length_a 9.78948
_cell_length_b 9.78948
_cell_length_c 3.87883
_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 | 1756ca3a-991c-4dae-87ba-57e305f48464 | mp-15203 | Swap the spatial positions of atoms at indices 1 and 49 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural LiNLi10Ca24W8N5LiN26O6
_chemical_formula_sum "Li12 N32 Ca24 W8 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_ang... |
SwapAtomsAction | 3a4674a7-e5a5-41f0-9ca8-f1188ab8a233 | mp-779456 | 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 Y8Re4O20
_chemical_formula_sum "Y8 Re4 O20"
_cell_length_a 8.49838607
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_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 OY7Re4YO19
_chemical_formula_sum "O20 Y8 Re4"
_cell_length_a 8.49838607
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_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 | a917ffd2-410f-487a-83d2-4972f113eda3 | mp-752818 | 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 Li4Co7O3F13
_chemical_formula_sum "Li4 Co7 O3 F13"
_cell_length_a 6.17185525
_cell_length_b 6.09317751
_cell_length_c 10.53983558
_cell_angle_alpha 105.48486365
_cell_angle_beta 73.19645649
_cell_angle_gamma 120.72935656
_space_gro... | data_image0
_chemical_formula_structural Li4Co4OCo2OCoOF13
_chemical_formula_sum "Li4 Co7 O3 F13"
_cell_length_a 6.17185525
_cell_length_b 6.09317751
_cell_length_c 10.53983558
_cell_angle_alpha 105.48486365
_cell_angle_beta 73.19645649
_cell_angle_gamma 120.72935656
_spa... |
SwapAtomsAction | c35cdcc2-68ff-4885-86a4-37be4b2e86ad | mp-1200075 | 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 H26Pt2C6N6Cl4O2
_chemical_formula_sum "H26 Pt2 C6 N6 Cl4 O2"
_cell_length_a 6.42302
_cell_length_b 7.24643047
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_beta 96.57896163
_cell_angle_gamma 98.6523140... | data_image0
_chemical_formula_structural H6NH19Pt2C6NHN4Cl4O2
_chemical_formula_sum "H26 N6 Pt2 C6 Cl4 O2"
_cell_length_a 6.42302
_cell_length_b 7.24643047
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_beta 96.57896163
_cell_angle_gamma 98.65... |
SwapAtomsAction | 50bb37db-479a-4079-8355-b9ef535ebbb7 | mp-1178412 | 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 Cr2Co2P4O16
_chemical_formula_sum "Cr2 Co2 P4 O16"
_cell_length_a 5.802582
_cell_length_b 4.791475
_cell_length_c 9.920894130000002
_cell_angle_alpha 89.89668048
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Cr2CoOP4O3CoO12
_chemical_formula_sum "Cr2 Co2 O16 P4"
_cell_length_a 5.802582
_cell_length_b 4.791475
_cell_length_c 9.920894130000002
_cell_angle_alpha 89.89668048
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SwapAtomsAction | e95e2cab-9c4a-4b73-960a-96f87e3affe7 | mp-581602 | Swap the spatial positions of atoms at indices 23 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn12S12
_chemical_formula_sum "Zn12 S12"
_cell_length_a 37.83798865
_cell_length_b 37.83798863
_cell_length_c 37.83798932
_cell_angle_alpha 5.84502688000007
_cell_angle_beta 5.8450271900000885
_cell_angle_gamma 5.845026259999922
_s... | data_image0
_chemical_formula_structural Zn8SZn3S11Zn
_chemical_formula_sum "Zn12 S12"
_cell_length_a 37.83798865
_cell_length_b 37.83798863
_cell_length_c 37.83798932
_cell_angle_alpha 5.84502688000007
_cell_angle_beta 5.8450271900000885
_cell_angle_gamma 5.84502625999992... |
SwapAtomsAction | 88c4f833-5f20-4d57-a86c-fdbffa990ef7 | mp-756136 | Swap the spatial positions of atoms at indices 7 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Pb4I16
_chemical_formula_sum "Ca4 Pb4 I16"
_cell_length_a 7.828612
_cell_length_b 9.521077
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca4Pb3I3PbI13
_chemical_formula_sum "Ca4 Pb4 I16"
_cell_length_a 7.828612
_cell_length_b 9.521077
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | eab65c80-9be3-4826-a419-8bac9639efc7 | mp-1216973 | 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 Tm14Mg6Ge16
_chemical_formula_sum "Tm14 Mg6 Ge16"
_cell_length_a 7.088886
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Tm7GeTm6Mg6Ge12TmGe3
_chemical_formula_sum "Tm14 Ge16 Mg6"
_cell_length_a 7.088886
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SwapAtomsAction | 9c4db07a-f11c-43fb-bc98-de5ec82c6761 | mp-1195679 | Swap the spatial positions of atoms at indices 0 and 39 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs4Th2Si12O30
_chemical_formula_sum "Cs4 Th2 Si12 O30"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_name_H-M... | data_image0
_chemical_formula_structural OCs3Th2Si12O21CsO8
_chemical_formula_sum "O30 Cs4 Th2 Si12"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_nam... |
SwapAtomsAction | a55e0d8a-1a0c-4d07-acbf-6e48ab1c3692 | mp-2232113 | Swap the spatial positions of atoms at indices 9 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgFe4Hg2O8
_chemical_formula_sum "Mg1 Fe4 Hg2 O8"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.64590332
... | data_image0
_chemical_formula_structural MgOFe3Hg2O2FeO5
_chemical_formula_sum "Mg1 O8 Fe4 Hg2"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.64590... |
SwapAtomsAction | ef3840e1-0bbd-4515-a03d-157aa70c4cb7 | mp-17235 | Swap the spatial positions of atoms at indices 15 and 33 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm8Si8O28
_chemical_formula_sum "Sm8 Si8 O28"
_cell_length_a 5.40274745
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92.56657233
_space_group_name_H... | data_image0
_chemical_formula_structural Sm8Si7O18SiO10
_chemical_formula_sum "Sm8 Si8 O28"
_cell_length_a 5.40274745
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92.56657233
_space_group_n... |
SwapAtomsAction | 1cc5e320-d191-40be-852f-6fc0df828e79 | mp-1247179 | Swap the spatial positions of atoms at indices 61 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn12In32N36
_chemical_formula_sum "Mn12 In32 N36"
_cell_length_a 7.14848932
_cell_length_b 11.41523106
_cell_length_c 18.08871383
_cell_angle_alpha 90.0
_cell_angle_beta 112.29965589
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn5NMn6In32N17MnN18
_chemical_formula_sum "Mn12 N36 In32"
_cell_length_a 7.14848932
_cell_length_b 11.41523106
_cell_length_c 18.08871383
_cell_angle_alpha 90.0
_cell_angle_beta 112.29965589
_cell_angle_gamma 90.0
_space_group_name... |
SwapAtomsAction | 578bfe64-b931-460d-890d-3395c19bccd4 | mp-721246 | Swap the spatial positions of atoms at indices 21 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr12Co2C4N14
_chemical_formula_sum "Sr12 Co2 C4 N14"
_cell_length_a 3.869881
_cell_length_b 9.893229
_cell_length_c 14.690993
_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 Sr12NCoC4N3CoN10
_chemical_formula_sum "Sr12 N14 Co2 C4"
_cell_length_a 3.869881
_cell_length_b 9.893229
_cell_length_c 14.690993
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | b492cf2e-2df7-4090-b684-4c4895de7176 | mp-1174755 | Swap the spatial positions of atoms at indices 20 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... | data_image0
_chemical_formula_structural Li7OMn2Co4O6LiO7
_chemical_formula_sum "Li8 O14 Mn2 Co4"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_s... |
SwapAtomsAction | 91762783-d8f9-4444-9bf4-ba364fe1ea09 | mp-1196633 | Swap the spatial positions of atoms at indices 51 and 33 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural HgH36C14S8O12F6
_chemical_formula_sum "Hg1 H36 C14 S8 O12 F6"
_cell_length_a 7.019827
_cell_length_b 12.53952735
_cell_length_c 12.54751375
_cell_angle_alpha 60.05261260999998
_cell_angle_beta 89.9974794
_cell_angle_gamma 89.986434
... | data_image0
_chemical_formula_structural HgH32SH3C14HS7O12F6
_chemical_formula_sum "Hg1 H36 S8 C14 O12 F6"
_cell_length_a 7.019827
_cell_length_b 12.53952735
_cell_length_c 12.54751375
_cell_angle_alpha 60.05261260999998
_cell_angle_beta 89.9974794
_cell_angle_gamma 89.986... |
SwapAtomsAction | be980853-e548-4991-9b94-ebb7daa8e15e | mp-1199158 | Swap the spatial positions of atoms at indices 24 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm22Sn20
_chemical_formula_sum "Tm22 Sn20"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Tm5SnTm16Sn2TmSn17
_chemical_formula_sum "Tm22 Sn20"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
... |
SwapAtomsAction | afdea3c8-76f0-433d-8b23-332bf742a057 | mp-1225690 | Swap the spatial positions of atoms at indices 10 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er2Fe6Co6P7
_chemical_formula_sum "Er2 Fe6 Co6 P7"
_cell_length_a 3.607307
_cell_length_b 8.982424
_cell_length_c 8.98247072
_cell_angle_alpha 59.99830538
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Er2Fe5Co3FeCo3P7
_chemical_formula_sum "Er2 Fe6 Co6 P7"
_cell_length_a 3.607307
_cell_length_b 8.982424
_cell_length_c 8.98247072
_cell_angle_alpha 59.99830538
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 3cf9321b-2b2e-43bf-b9a8-2b93b2635aac | mp-698063 | Swap the spatial positions of atoms at indices 28 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8P8H8O28
_chemical_formula_sum "Na8 P8 H8 O28"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
_space... | data_image0
_chemical_formula_structural NaONa6P8H8O4NaO23
_chemical_formula_sum "Na8 O28 P8 H8"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
... |
SwapAtomsAction | 4857febe-78e2-4718-a6ae-1e404b19281b | mp-1245147 | Swap the spatial positions of atoms at indices 32 and 29 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr16Fe16O48
_chemical_formula_sum "Cr16 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... | data_image0
_chemical_formula_structural Cr16Fe13OFe3O47
_chemical_formula_sum "Cr16 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.385670... |
SwapAtomsAction | 2a4dd394-e23e-49b3-a617-6f599113d317 | mp-1192677 | 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 Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs3Pr6CsOsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.7349... |
SwapAtomsAction | d0b2bada-33ed-4fba-8002-160d33095550 | mp-2230889 | Swap the spatial positions of atoms at indices 6 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgV5FeO12
_chemical_formula_sum "Mg1 V5 Fe1 O12"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_... | data_image0
_chemical_formula_structural MgV5O8FeO4
_chemical_formula_sum "Mg1 V5 O12 Fe1"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space... |
SwapAtomsAction | 6200eadf-c0d9-46a9-8e96-67b42788bb87 | mp-1034441 | Swap the spatial positions of atoms at indices 15 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mg14SnCrO16
_chemical_formula_sum "Mg14 Sn1 Cr1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 28299c39-46c2-48b0-bd82-4a7fa09be258 | mp-1104301 | 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 K3Pb2Cl8
_chemical_formula_sum "K3 Pb2 Cl8"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_space_gro... | data_image0
_chemical_formula_structural K3PbCl3PbCl5
_chemical_formula_sum "K3 Pb2 Cl8"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_space... |
SwapAtomsAction | 318db2a5-e173-47c1-aa97-088e518e2ed2 | mp-1176375 | Swap the spatial positions of atoms at indices 9 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na6Ni4P4C4O28
_chemical_formula_sum "Na6 Ni4 P4 C4 O28"
_cell_length_a 8.310674
_cell_length_b 8.318246190000002
_cell_length_c 10.22145403
_cell_angle_alpha 107.61280397
_cell_angle_beta 107.54584119999998
_cell_angle_gamma 102.983... | data_image0
_chemical_formula_structural NaNiNa4Ni3NaP4C4O28
_chemical_formula_sum "Na6 Ni4 P4 C4 O28"
_cell_length_a 8.310674
_cell_length_b 8.318246190000002
_cell_length_c 10.22145403
_cell_angle_alpha 107.61280397
_cell_angle_beta 107.54584119999998
_cell_angle_gamma 1... |
SwapAtomsAction | 972f3580-ea81-488f-8cbb-7bbad5427c4f | mp-642735 | 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 Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 HRb3H6RbHPt2
_chemical_formula_sum "H8 Rb4 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 | 899328c2-74b7-4e2f-b98d-574e7ba406f2 | mp-31180 | Swap the spatial positions of atoms at indices 8 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy2Al8Ni2
_chemical_formula_sum "Dy2 Al8 Ni2"
_cell_length_a 4.04611252
_cell_length_b 6.54957622
_cell_length_c 7.92753761
_cell_angle_alpha 90.0
_cell_angle_beta 104.78503715
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Dy2Al6NiAlNiAl
_chemical_formula_sum "Dy2 Al8 Ni2"
_cell_length_a 4.04611252
_cell_length_b 6.54957622
_cell_length_c 7.92753761
_cell_angle_alpha 90.0
_cell_angle_beta 104.78503715
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 1e5a9daf-af97-4639-b253-e330cf9d0160 | mp-1406703 | Swap the spatial positions of atoms at indices 10 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co2O6F2
_chemical_formula_sum "Li8 Co2 O6 F2"
_cell_length_a 5.225015
_cell_length_b 5.34709061
_cell_length_c 7.7588422800000005
_cell_angle_alpha 109.9820153
_cell_angle_beta 82.91234078
_cell_angle_gamma 113.64964108
_space_g... | data_image0
_chemical_formula_structural Li8Co2FO5FO
_chemical_formula_sum "Li8 Co2 F2 O6"
_cell_length_a 5.225015
_cell_length_b 5.34709061
_cell_length_c 7.7588422800000005
_cell_angle_alpha 109.9820153
_cell_angle_beta 82.91234078
_cell_angle_gamma 113.64964108
_space_... |
SwapAtomsAction | deaeee39-8807-4a5d-ad27-540510c8fa3a | mp-849398 | Swap the spatial positions of atoms at indices 18 and 57 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li20Mn8P12O48
_chemical_formula_sum "Li20 Mn8 P12 O48"
_cell_length_a 8.88905
_cell_length_b 8.731993
_cell_length_c 15.194232
_cell_angle_alpha 55.958151120000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li18OLiMn8P12O17LiO30
_chemical_formula_sum "Li20 O48 Mn8 P12"
_cell_length_a 8.88905
_cell_length_b 8.731993
_cell_length_c 15.194232
_cell_angle_alpha 55.958151120000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SwapAtomsAction | a876dd34-4a1e-4ef2-80c7-479255abd1d0 | mp-1046244 | Swap the spatial positions of atoms at indices 10 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr2Bi2P4O16
_chemical_formula_sum "Sr2 Bi2 P4 O16"
_cell_length_a 5.517599
_cell_length_b 7.22489438
_cell_length_c 9.74518414
_cell_angle_alpha 106.94443890999999
_cell_angle_beta 97.78745957
_cell_angle_gamma 97.70727401
_space_g... | data_image0
_chemical_formula_structural Sr2OBiP4O2BiO13
_chemical_formula_sum "Sr2 O16 Bi2 P4"
_cell_length_a 5.517599
_cell_length_b 7.22489438
_cell_length_c 9.74518414
_cell_angle_alpha 106.94443890999999
_cell_angle_beta 97.78745957
_cell_angle_gamma 97.70727401
_spa... |
SwapAtomsAction | 53ab8a63-1e56-44c7-9408-886c5fe2dd14 | mp-1305999 | Swap the spatial positions of atoms at indices 7 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... | data_image0
_chemical_formula_structural Li3TiNi3ONiO7
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998... |
SwapAtomsAction | 9e312f49-8a90-4b27-bd2a-0396128f8d4c | mp-1228296 | Swap the spatial positions of atoms at indices 14 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs10Re12S16Cl14
_chemical_formula_sum "Cs10 Re12 S16 Cl14"
_cell_length_a 19.27988906
_cell_length_b 19.27988906
_cell_length_c 19.27988893
_cell_angle_alpha 30.276571750000013
_cell_angle_beta 30.276571750000013
_cell_angle_gamma 3... | data_image0
_chemical_formula_structural Cs3ReCs6Re4CsRe7S16Cl14
_chemical_formula_sum "Cs10 Re12 S16 Cl14"
_cell_length_a 19.27988906
_cell_length_b 19.27988906
_cell_length_c 19.27988893
_cell_angle_alpha 30.276571750000013
_cell_angle_beta 30.276571750000013
_cell_angle_ga... |
SwapAtomsAction | 35d27938-15e9-4112-8256-779828c37677 | mp-1030404 | 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 Te4Mo3WSe2S2
_chemical_formula_sum "Te4 Mo3 W1 Se2 S2"
_cell_length_a 3.4009808
_cell_length_b 3.4009808000000006
_cell_length_c 38.652358
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001554000002
_space_gro... | data_image0
_chemical_formula_structural Te2MoTeMoTeMoWSe2S2
_chemical_formula_sum "Te4 Mo3 W1 Se2 S2"
_cell_length_a 3.4009808
_cell_length_b 3.4009808000000006
_cell_length_c 38.652358
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001554000002
_sp... |
SwapAtomsAction | 4521e4a2-486e-4947-a007-9f09e4139180 | mp-752461 | Swap the spatial positions of atoms at indices 17 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn6O5F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 4.794192
_cell_length_b 5.7488937899999994
_cell_length_c 7.907657610000001
_cell_angle_alpha 84.66724938999998
_cell_angle_beta 87.05711292
_cell_angle_gamma 84.78686068
_sp... | data_image0
_chemical_formula_structural Mn5FO5F6Mn
_chemical_formula_sum "Mn6 F7 O5"
_cell_length_a 4.794192
_cell_length_b 5.7488937899999994
_cell_length_c 7.907657610000001
_cell_angle_alpha 84.66724938999998
_cell_angle_beta 87.05711292
_cell_angle_gamma 84.78686068
... |
SwapAtomsAction | fba265da-8f28-4c54-95a1-04e2deb489a7 | mp-756993 | 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 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 OLi3Co2P4LiO13
_chemical_formula_sum "O14 Li4 Co2 P4"
_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
_sp... |
SwapAtomsAction | afe6b2a0-b1cb-4242-8c51-856d80613171 | mp-1194895 | Swap the spatial positions of atoms at indices 1 and 54 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Th8Te12Mo4O52
_chemical_formula_sum "Th8 Te12 Mo4 O52"
_cell_length_a 7.191032
_cell_length_b 11.50721
_cell_length_c 14.22629756
_cell_angle_alpha 89.42976733999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural ThOTh6Te12Mo4O30ThO21
_chemical_formula_sum "Th8 O52 Te12 Mo4"
_cell_length_a 7.191032
_cell_length_b 11.50721
_cell_length_c 14.22629756
_cell_angle_alpha 89.42976733999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SwapAtomsAction | 08af7593-f460-4813-9a59-0244dfa697b3 | mp-1198355 | Swap the spatial positions of atoms at indices 30 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4B22O44
_chemical_formula_sum "Sr4 B22 O44"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sr4B16OB5O4BO39
_chemical_formula_sum "Sr4 B22 O44"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | c7a2e5c6-4b32-46c2-9d00-2331ad6ed819 | mp-616196 | 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 Os2C6I4O6
_chemical_formula_sum "Os2 C6 I4 O6"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_group_name... | data_image0
_chemical_formula_structural OsC4OsC2I4O6
_chemical_formula_sum "Os2 C6 I4 O6"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_group_n... |
SwapAtomsAction | d25728fc-08cb-4135-9525-e1b5bbc9e79e | mp-705637 | Swap the spatial positions of atoms at indices 71 and 31 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni16P16O64
_chemical_formula_sum "Ni16 P16 O64"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_space_group_... | data_image0
_chemical_formula_structural Ni16P15O40PO24
_chemical_formula_sum "Ni16 P16 O64"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_space_gr... |
SwapAtomsAction | 4ae20ea0-73d9-4c99-b3e4-5b6a364658e2 | mp-19140 | Swap the spatial positions of atoms at indices 14 and 25 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K12Mn4O16
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... | data_image0
_chemical_formula_structural K12Mn2OMnO9MnO6
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927... |
SwapAtomsAction | 6ae9116c-d5aa-4a36-99d7-1b5e71ced5ec | mp-1111056 | 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 Na2LiAlF6
_chemical_formula_sum "Na2 Li1 Al1 F6"
_cell_length_a 5.41110777
_cell_length_b 5.41110777
_cell_length_c 5.41110777
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural NaLiNaAlF6
_chemical_formula_sum "Na2 Li1 Al1 F6"
_cell_length_a 5.41110777
_cell_length_b 5.41110777
_cell_length_c 5.41110777
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
SwapAtomsAction | fcdf1c97-385f-41cc-8adb-111c2790e583 | mp-777888 | Swap the spatial positions of atoms at indices 13 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe4F12
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 6.105144
_cell_length_b 6.11173082
_cell_length_c 6.12676191
_cell_angle_alpha 90.09645642
_cell_angle_beta 90.04854480000002
_cell_angle_gamma 90.17288889
_space_group_n... | data_image0
_chemical_formula_structural Li4FeFFe2F5FeF6
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 6.105144
_cell_length_b 6.11173082
_cell_length_c 6.12676191
_cell_angle_alpha 90.09645642
_cell_angle_beta 90.04854480000002
_cell_angle_gamma 90.17288889
_space_g... |
SwapAtomsAction | ed186210-dbaa-428a-9537-b8573eb01ae7 | mp-1195020 | Swap the spatial positions of atoms at indices 21 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr4Tl4P8Se24
_chemical_formula_sum "Pr4 Tl4 P8 Se24"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr4TlSeTl2P8Se5TlSe18
_chemical_formula_sum "Pr4 Tl4 Se24 P8"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SwapAtomsAction | c0137326-8285-4ff0-8a01-2605de5356f9 | mp-768505 | 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 Lu6Ga6O18
_chemical_formula_sum "Lu6 Ga6 O18"
_cell_length_a 5.90261744
_cell_length_b 5.90261585
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.99995016
_cell_angle_gamma 119.99938731
_space_gr... | data_image0
_chemical_formula_structural LuGaLu4Ga2LuGa3O18
_chemical_formula_sum "Lu6 Ga6 O18"
_cell_length_a 5.90261744
_cell_length_b 5.90261585
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.99995016
_cell_angle_gamma 119.99938731
... |
SwapAtomsAction | 069e6fad-0adc-4e55-8fc0-e0eb63243e67 | mp-1235973 | Swap the spatial positions of atoms at indices 7 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY4Ag2OAgO2AgO9
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name... |
SwapAtomsAction | 43c59f7e-8af3-4cd4-8ae7-40e0fafe31cd | mp-1102412 | 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 Cr4O8
_chemical_formula_sum "Cr4 O8"
_cell_length_a 4.26593859
_cell_length_b 4.87969859
_cell_length_c 5.36925859
_cell_angle_alpha 90.0002688
_cell_angle_beta 90.0000897
_cell_angle_gamma 90.0042059
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Cr2OCrO3CrO4
_chemical_formula_sum "Cr4 O8"
_cell_length_a 4.26593859
_cell_length_b 4.87969859
_cell_length_c 5.36925859
_cell_angle_alpha 90.0002688
_cell_angle_beta 90.0000897
_cell_angle_gamma 90.0042059
_space_group_name_H-M_a... |
SwapAtomsAction | aa96b39a-df54-4c8c-b20d-dfa182daacba | mp-1095574 | 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 Ce4Ga4Ag4
_chemical_formula_sum "Ce4 Ga4 Ag4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_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 Ce4AgGa3AgGaAg2
_chemical_formula_sum "Ce4 Ag4 Ga4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_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 | 0ae527df-ceea-4a2e-8eb5-d194ee3ff8f4 | mp-1023289 | 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 Mg12Al2W2
_chemical_formula_sum "Mg12 Al2 W2"
_cell_length_a 4.961791
_cell_length_b 5.848886
_cell_length_c 10.827339
_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 WMg11Al2MgW
_chemical_formula_sum "W2 Mg12 Al2"
_cell_length_a 4.961791
_cell_length_b 5.848886
_cell_length_c 10.827339
_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 | a9866593-b10e-4696-9228-28dade2cabae | mp-1021306 | Swap the spatial positions of atoms at indices 11 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mg12B2
_chemical_formula_sum "Li2 Mg12 B2"
_cell_length_a 4.576494
_cell_length_b 6.473941
_cell_length_c 10.486589
_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 MgLiMg9LiMg2B2
_chemical_formula_sum "Mg12 Li2 B2"
_cell_length_a 4.576494
_cell_length_b 6.473941
_cell_length_c 10.486589
_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 | 28ef525c-1836-4b51-bacb-d53865ee67ad | mp-530600 | Swap the spatial positions of atoms at indices 20 and 47 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li14Ti21O48
_chemical_formula_sum "Li14 Ti21 O48"
_cell_length_a 5.97534046
_cell_length_b 5.975340460000001
_cell_length_c 29.236752079999995
_cell_angle_alpha 89.9418527
_cell_angle_beta 89.9418527
_cell_angle_gamma 60.01494276
_... | data_image0
_chemical_formula_structural Li14Ti6OTi14O12TiO35
_chemical_formula_sum "Li14 Ti21 O48"
_cell_length_a 5.97534046
_cell_length_b 5.975340460000001
_cell_length_c 29.236752079999995
_cell_angle_alpha 89.9418527
_cell_angle_beta 89.9418527
_cell_angle_gamma 60.01... |
SwapAtomsAction | 975f13bf-de6b-417b-8dc0-5125c541511a | mp-637030 | Swap the spatial positions of atoms at indices 1 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd2Al6Si4Pt
_chemical_formula_sum "Gd2 Al6 Si4 Pt1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13.91258... | data_image0
_chemical_formula_structural GdSiAl6Si2GdSiPt
_chemical_formula_sum "Gd2 Si4 Al6 Pt1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13.... |
SwapAtomsAction | 0c325ed8-c982-465b-bf4e-e869ce75f0ac | mp-1078353 | Swap the spatial positions of atoms at indices 4 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn2Pb4W2O12
_chemical_formula_sum "Mn2 Pb4 W2 O12"
_cell_length_a 5.80682125
_cell_length_b 5.809345270000001
_cell_length_c 10.05465674
_cell_angle_alpha 73.28351843
_cell_angle_beta 89.96123195999999
_cell_angle_gamma 120.08865650... | data_image0
_chemical_formula_structural Mn2Pb2OPbW2O9PbO2
_chemical_formula_sum "Mn2 Pb4 O12 W2"
_cell_length_a 5.80682125
_cell_length_b 5.809345270000001
_cell_length_c 10.05465674
_cell_angle_alpha 73.28351843
_cell_angle_beta 89.96123195999999
_cell_angle_gamma 120.08... |
SwapAtomsAction | 3e615df4-01ec-4115-ad62-a5408453158f | mp-20817 | Swap the spatial positions of atoms at indices 6 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ge4Pt4Se4
_chemical_formula_sum "Ge4 Pt4 Se4"
_cell_length_a 6.02894882
_cell_length_b 6.05269499
_cell_length_c 6.11051989
_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 Ge4Pt2SePtSe2PtSe
_chemical_formula_sum "Ge4 Pt4 Se4"
_cell_length_a 6.02894882
_cell_length_b 6.05269499
_cell_length_c 6.11051989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 92d4f8b5-75c3-4c11-95d4-ed7d00b18fe1 | mp-771918 | Swap the spatial positions of atoms at indices 42 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li16Mn8P8O32F8
_chemical_formula_sum "Li16 Mn8 P8 O32 F8"
_cell_length_a 5.140871
_cell_length_b 13.176346
_cell_length_c 13.18498818
_cell_angle_alpha 60.45596281000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Li16Mn5OMn2P8O10MnO21F8
_chemical_formula_sum "Li16 Mn8 O32 P8 F8"
_cell_length_a 5.140871
_cell_length_b 13.176346
_cell_length_c 13.18498818
_cell_angle_alpha 60.45596281000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SwapAtomsAction | a3af3795-c7d0-40f7-ac8d-e12aa62ab4b6 | mp-570684 | 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 Zr4Os8
_chemical_formula_sum "Zr4 Os8"
_cell_length_a 5.2087459
_cell_length_b 5.20874741
_cell_length_c 8.58838303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000971999998
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zr2OsZrOs4ZrOs3
_chemical_formula_sum "Zr4 Os8"
_cell_length_a 5.2087459
_cell_length_b 5.20874741
_cell_length_c 8.58838303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000971999998
_space_group_name_H-M_al... |
SwapAtomsAction | 54de410f-f12b-4a2d-8eea-b5efdf8c571e | mp-1198663 | Swap the spatial positions of atoms at indices 35 and 47 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 K8Li4H23N12H
_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"
_sp... |
SwapAtomsAction | 8db2c4f5-f906-479d-8635-a6703ec2a2fc | mp-758066 | Swap the spatial positions of atoms at indices 4 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V6P8O28
_chemical_formula_sum "Li4 V6 P8 O28"
_cell_length_a 5.338507
_cell_length_b 6.625273469999999
_cell_length_c 16.03223444
_cell_angle_alpha 81.67600264000001
_cell_angle_beta 83.46847737
_cell_angle_gamma 72.26610188
_sp... | data_image0
_chemical_formula_structural Li4OV5P8OVO26
_chemical_formula_sum "Li4 O28 V6 P8"
_cell_length_a 5.338507
_cell_length_b 6.625273469999999
_cell_length_c 16.03223444
_cell_angle_alpha 81.67600264000001
_cell_angle_beta 83.46847737
_cell_angle_gamma 72.26610188
... |
SwapAtomsAction | 879b1609-d7f0-4f49-8be2-43f36f848980 | mp-753702 | Swap the spatial positions of atoms at indices 20 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4V4Si4O16
_chemical_formula_sum "Li4 V4 Si4 O16"
_cell_length_a 4.97352403
_cell_length_b 9.243516709999998
_cell_length_c 6.241561
_cell_angle_alpha 89.99882645000001
_cell_angle_beta 90.00073469
_cell_angle_gamma 97.01219666
_s... | data_image0
_chemical_formula_structural Li4V4Si3O9SiO7
_chemical_formula_sum "Li4 V4 Si4 O16"
_cell_length_a 4.97352403
_cell_length_b 9.243516709999998
_cell_length_c 6.241561
_cell_angle_alpha 89.99882645000001
_cell_angle_beta 90.00073469
_cell_angle_gamma 97.01219666
... |
SwapAtomsAction | 8962812f-055a-4561-bb3b-b70b994b364a | mp-696283 | Swap the spatial positions of atoms at indices 28 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H8S8N12O2
_chemical_formula_sum "H8 S8 N12 O2"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_group_name... | data_image0
_chemical_formula_structural HOH6S8N12HO
_chemical_formula_sum "H8 O2 S8 N12"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_group_na... |
SwapAtomsAction | bcf896ab-6bc6-4dc8-bfbc-c23843db53d0 | mp-1096809 | Swap the spatial positions of atoms at indices 10 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al8Zn4S16
_chemical_formula_sum "Al8 Zn4 S16"
_cell_length_a 5.910544
_cell_length_b 7.22181
_cell_length_c 12.474986
_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 Al8Zn2SZnS12ZnS3
_chemical_formula_sum "Al8 Zn4 S16"
_cell_length_a 5.910544
_cell_length_b 7.22181
_cell_length_c 12.474986
_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 | a98b915c-81b0-4c45-b878-84e8fbc2144a | mp-754713 | Swap the spatial positions of atoms at indices 4 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al8Cr4O20
_chemical_formula_sum "Al8 Cr4 O20"
_cell_length_a 5.05828776
_cell_length_b 7.185476969999999
_cell_length_c 10.24938235
_cell_angle_alpha 74.62419369000001
_cell_angle_beta 82.79878355
_cell_angle_gamma 110.2480265400000... | data_image0
_chemical_formula_structural Al4CrAl3Cr2AlCrO20
_chemical_formula_sum "Al8 Cr4 O20"
_cell_length_a 5.05828776
_cell_length_b 7.185476969999999
_cell_length_c 10.24938235
_cell_angle_alpha 74.62419369000001
_cell_angle_beta 82.79878355
_cell_angle_gamma 110.2480... |
SwapAtomsAction | 856e2440-446c-4390-968b-d32bcb625165 | mp-2240560 | Swap the spatial positions of atoms at indices 6 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgTiOCoO2CoO3
_chemical_formula_sum "Mg1 Ti1 O6 Co2"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.4464... |
SwapAtomsAction | 1d9bd30f-b4b3-4681-b25f-39c2f9d4094d | mp-1320208 | Swap the spatial positions of atoms at indices 24 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Y2Cr6O14
_chemical_formula_sum "Ba4 Y2 Cr6 O14"
_cell_length_a 5.62234459
_cell_length_b 12.448562939999999
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta 91.54529385000001
_cell_angle_gamma 102.69469371... | data_image0
_chemical_formula_structural Ba4YOCr6O12YO
_chemical_formula_sum "Ba4 Y2 O14 Cr6"
_cell_length_a 5.62234459
_cell_length_b 12.448562939999999
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta 91.54529385000001
_cell_angle_gamma 102.694693... |
SwapAtomsAction | ad1f31ef-874f-43c1-ab2c-45e62c589098 | mp-556409 | Swap the spatial positions of atoms at indices 8 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20
_chemical_formula_sum "Ba7 Ca2 Mn5 O20"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.1467... | data_image0
_chemical_formula_structural Ba7CaOMn5CaO19
_chemical_formula_sum "Ba7 Ca2 O20 Mn5"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.14... |
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