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 | daf51b43-3cc5-48ef-9c74-cdd3988827c4 | mp-771123 | Swap the spatial positions of atoms at indices 7 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc6Fe6O18
_chemical_formula_sum "Sc6 Fe6 O18"
_cell_length_a 5.84717964
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sc6FeOFe4O7FeO10
_chemical_formula_sum "Sc6 Fe6 O18"
_cell_length_a 5.84717964
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_space_group_name_H... |
SwapAtomsAction | 3fa8e27b-5a41-4500-9a1f-916f8a29e678 | mp-1079648 | Swap the spatial positions of atoms at indices 5 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural U2Ge3Rh3GeRh
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 | 9052c05d-515d-4a4c-af07-5d6052f376ae | mp-1213759 | Swap the spatial positions of atoms at indices 43 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs12Ir4Br24O4
_chemical_formula_sum "Cs12 Ir4 Br24 O4"
_cell_length_a 7.637021
_cell_length_b 13.413389
_cell_length_c 15.952445
_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 Cs12Ir4Br4OBr19O3Br
_chemical_formula_sum "Cs12 Ir4 Br24 O4"
_cell_length_a 7.637021
_cell_length_b 13.413389
_cell_length_c 15.952445
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | de3eeab6-4a1c-4d4d-bbbc-8cbc5bcd4d58 | mp-780696 | Swap the spatial positions of atoms at indices 15 and 35 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Mn2As4H12O20
_chemical_formula_sum "Ca2 Mn2 As4 H12 O20"
_cell_length_a 7.051194
_cell_length_b 7.74502953
_cell_length_c 8.57751548
_cell_angle_alpha 84.59965532
_cell_angle_beta 82.10451642
_cell_angle_gamma 81.56884082
_space... | data_image0
_chemical_formula_structural Ca2Mn2As4H7OH4O15HO4
_chemical_formula_sum "Ca2 Mn2 As4 H12 O20"
_cell_length_a 7.051194
_cell_length_b 7.74502953
_cell_length_c 8.57751548
_cell_angle_alpha 84.59965532
_cell_angle_beta 82.10451642
_cell_angle_gamma 81.56884082
_... |
SwapAtomsAction | 03a6133e-999b-4fb1-b206-a79a278b3742 | mp-630927 | 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 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 BrPb3SeBr2PbBr3
_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
_spa... |
SwapAtomsAction | 72f443f0-bf1f-430e-9d8e-fbe749c404c0 | mp-1028424 | 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 CsMg14Co
_chemical_formula_sum "Cs1 Mg14 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg10CsMg4Co
_chemical_formula_sum "Mg14 Cs1 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt ... |
SwapAtomsAction | 59d7007d-9106-41cf-a8ff-a022ca13479a | mp-1517031 | Swap the spatial positions of atoms at indices 26 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4Ca4Gd4Nb4O24
_chemical_formula_sum "Ba4 Ca4 Gd4 Nb4 O24"
_cell_length_a 8.40905738
_cell_length_b 8.39257789
_cell_length_c 8.44034433
_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 Ba4Ca4Gd4Nb2ONbO10NbO13
_chemical_formula_sum "Ba4 Ca4 Gd4 Nb4 O24"
_cell_length_a 8.40905738
_cell_length_b 8.39257789
_cell_length_c 8.44034433
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SwapAtomsAction | 7d40ee28-9cc9-445e-83b3-12330f4da373 | mp-1233325 | Swap the spatial positions of atoms at indices 1 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CaEr4Zr4O14
_chemical_formula_sum "Ca1 Er4 Zr4 O14"
_cell_length_a 3.57022946
_cell_length_b 15.22401611
_cell_length_c 13.07659326
_cell_angle_alpha 30.80166136999999
_cell_angle_beta 56.715480969999994
_cell_angle_gamma 61.8756690... | data_image0
_chemical_formula_structural ErCaEr3Zr4O14
_chemical_formula_sum "Er4 Ca1 Zr4 O14"
_cell_length_a 3.57022946
_cell_length_b 15.22401611
_cell_length_c 13.07659326
_cell_angle_alpha 30.80166136999999
_cell_angle_beta 56.715480969999994
_cell_angle_gamma 61.87566... |
SwapAtomsAction | 2cd56e44-824c-415f-989c-76bc24d1e825 | mp-1026556 | Swap the spatial positions of atoms at indices 11 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14CrC
_chemical_formula_sum "Mg14 Cr1 C1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg11CrMg3C
_chemical_formula_sum "Mg14 Cr1 C1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M_al... |
SwapAtomsAction | 74a3423f-cdc0-4546-b1e9-65481fe25dbf | mp-5996 | Swap the spatial positions of atoms at indices 15 and 57 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Ti8Si8O36
_chemical_formula_sum "Na8 Ti8 Si8 O36"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 14.734708
_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 Na8Ti7OSi8O33TiO2
_chemical_formula_sum "Na8 Ti8 O36 Si8"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 14.734708
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 5821e847-5581-4e57-82c8-a65465f410dc | mp-1182991 | Swap the spatial positions of atoms at indices 9 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ag4Te2O12
_chemical_formula_sum "Ag4 Te2 O12"
_cell_length_a 9.03229954
_cell_length_b 6.12470557
_cell_length_c 10.04159777
_cell_angle_alpha 62.18340281999999
_cell_angle_beta 37.26355637999998
_cell_angle_gamma 80.47591117
_spac... | data_image0
_chemical_formula_structural Ag4OTeO3TeO8
_chemical_formula_sum "Ag4 O12 Te2"
_cell_length_a 9.03229954
_cell_length_b 6.12470557
_cell_length_c 10.04159777
_cell_angle_alpha 62.18340281999999
_cell_angle_beta 37.26355637999998
_cell_angle_gamma 80.47591117
_s... |
SwapAtomsAction | 24597821-ca3e-4be2-b756-abbc0292c832 | mp-1202294 | Swap the spatial positions of atoms at indices 54 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni8P16H16O56
_chemical_formula_sum "Ni8 P16 H16 O56"
_cell_length_a 12.797851
_cell_length_b 9.285836
_cell_length_c 9.683979269999998
_cell_angle_alpha 73.07185644
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ni8P7OP8H16O14PO41
_chemical_formula_sum "Ni8 P16 O56 H16"
_cell_length_a 12.797851
_cell_length_b 9.285836
_cell_length_c 9.683979269999998
_cell_angle_alpha 73.07185644
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SwapAtomsAction | 2817e099-dba6-433f-9ef6-f9a4f8017739 | mp-1232032 | Swap the spatial positions of atoms at indices 18 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y8Mg4S16
_chemical_formula_sum "Y8 Mg4 S16"
_cell_length_a 13.48704158
_cell_length_b 7.88029332
_cell_length_c 6.51258164
_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 Y5SY2Mg4S6YS9
_chemical_formula_sum "Y8 S16 Mg4"
_cell_length_a 13.48704158
_cell_length_b 7.88029332
_cell_length_c 6.51258164
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 0e048dcb-5468-45a7-8697-adbe983a1aeb | mp-1247313 | 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 Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... | data_image0
_chemical_formula_structural Zn10NZn5Ag4N9ZnN2
_chemical_formula_sum "Zn16 N12 Ag4"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_... |
SwapAtomsAction | 73a7551b-2cf6-4c03-82af-89aa957eff10 | mp-16623 | Swap the spatial positions of atoms at indices 20 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Dy2Al14Au6
_chemical_formula_sum "Dy2 Al14 Au6"
_cell_length_a 8.38060428
_cell_length_b 8.38060428
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_cell_angle_beta 57.344522659999996
_cell_angle_gamma 57.34453745
_sp... | data_image0
_chemical_formula_structural Dy2Al13Au5AlAu
_chemical_formula_sum "Dy2 Al14 Au6"
_cell_length_a 8.38060428
_cell_length_b 8.38060428
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_cell_angle_beta 57.344522659999996
_cell_angle_gamma 57.34453745
... |
SwapAtomsAction | 767f92ff-038d-4d3c-8e35-dd7bce7868ad | mp-756744 | Swap the spatial positions of atoms at indices 10 and 29 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Co6B6O18
_chemical_formula_sum "Li6 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... | data_image0
_chemical_formula_structural Li6Co4OCoB6O11CoO6
_chemical_formula_sum "Li6 Co6 O18 B6"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.0... |
SwapAtomsAction | e986b8cf-dd77-4974-9bbf-4bbf6324f1ae | mp-558350 | Swap the spatial positions of atoms at indices 33 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn16Te8Br16O24
_chemical_formula_sum "Zn16 Te8 Br16 O24"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_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 Zn16TeBrTe6Br9TeBr6O24
_chemical_formula_sum "Zn16 Te8 Br16 O24"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | 73723bb0-5f13-4051-9fb3-b4c3e63eaa78 | mp-540876 | Swap the spatial positions of atoms at indices 11 and 30 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2Th4P6O24
_chemical_formula_sum "K2 Th4 P6 O24"
_cell_length_a 9.56026706
_cell_length_b 9.560267059999997
_cell_length_c 8.233831920000002
_cell_angle_alpha 78.8105945
_cell_angle_beta 78.8105945
_cell_angle_gamma 42.36745654
_sp... | data_image0
_chemical_formula_structural K2Th4P5O19PO5
_chemical_formula_sum "K2 Th4 P6 O24"
_cell_length_a 9.56026706
_cell_length_b 9.560267059999997
_cell_length_c 8.233831920000002
_cell_angle_alpha 78.8105945
_cell_angle_beta 78.8105945
_cell_angle_gamma 42.36745654
... |
SwapAtomsAction | ffa8d661-17b9-4c9a-a759-85f6b1e795f3 | mp-20083 | Swap the spatial positions of atoms at indices 4 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 CuSc4Cu3Si4
_chemical_formula_sum "Cu4 Sc4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | a0593694-848c-4303-a97d-f7b68942d535 | mp-1103834 | 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 LiMo6S8
_chemical_formula_sum "Li1 Mo6 S8"
_cell_length_a 6.52044706
_cell_length_b 6.5204470599999995
_cell_length_c 6.520447640000001
_cell_angle_alpha 92.02069996999998
_cell_angle_beta 92.02069996999998
_cell_angle_gamma 92.0206... | data_image0
_chemical_formula_structural LiMoSMo5S7
_chemical_formula_sum "Li1 Mo6 S8"
_cell_length_a 6.52044706
_cell_length_b 6.5204470599999995
_cell_length_c 6.520447640000001
_cell_angle_alpha 92.02069996999998
_cell_angle_beta 92.02069996999998
_cell_angle_gamma 92.0... |
SwapAtomsAction | c144b1de-b99f-43ff-9c78-b7c4cfc9fc28 | mp-763481 | Swap the spatial positions of atoms at indices 3 and 33 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb8Co4O24
_chemical_formula_sum "Nb8 Co4 O24"
_cell_length_a 4.82910201
_cell_length_b 10.39951891
_cell_length_c 9.6593011
_cell_angle_alpha 62.34460947
_cell_angle_beta 90.00166628
_cell_angle_gamma 90.0082642
_space_group_name_H... | data_image0
_chemical_formula_structural Nb3ONb4Co4O21NbO2
_chemical_formula_sum "Nb8 O24 Co4"
_cell_length_a 4.82910201
_cell_length_b 10.39951891
_cell_length_c 9.6593011
_cell_angle_alpha 62.34460947
_cell_angle_beta 90.00166628
_cell_angle_gamma 90.0082642
_space_grou... |
SwapAtomsAction | 5a91015d-0331-4ac6-ab3d-fbcda0f1f3e1 | mp-1095677 | 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 Np4Sb8
_chemical_formula_sum "Np4 Sb8"
_cell_length_a 4.3506907
_cell_length_b 4.3506907
_cell_length_c 17.247987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.40688543
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Np2SbNpSb2NpSb5
_chemical_formula_sum "Np4 Sb8"
_cell_length_a 4.3506907
_cell_length_b 4.3506907
_cell_length_c 17.247987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.40688543
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 98c22158-e3d3-4623-9709-2724bfb8110d | mp-997504 | Swap the spatial positions of atoms at indices 4 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cu6O2F10
_chemical_formula_sum "Cu6 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_spac... | data_image0
_chemical_formula_structural Cu4FCuO2F6CuF3
_chemical_formula_sum "Cu6 F10 O2"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
... |
SwapAtomsAction | 5033718f-d1e0-4ec1-a156-896154c55ab4 | mp-5169 | Swap the spatial positions of atoms at indices 1 and 14 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 CuOCu6P4O2CuO15
_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_group... |
SwapAtomsAction | b8f2c8f9-bf16-4821-9e3b-986495f6ca65 | mp-673174 | Swap the spatial positions of atoms at indices 26 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... | data_image0
_chemical_formula_structural Fe4NFe19N2FeN6
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999... |
SwapAtomsAction | ba675e6b-9f1c-4e6c-8016-750f17ff8cd5 | mp-637030 | Swap the spatial positions of atoms at indices 2 and 1 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 GdAlGdAl5Si4Pt
_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 13.91... |
SwapAtomsAction | 80113727-ec56-4d17-b8fc-4fcd327e75aa | mp-753244 | Swap the spatial positions of atoms at indices 3 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Mn4F18
_chemical_formula_sum "Li2 Mn4 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space_group... | data_image0
_chemical_formula_structural Li2MnFMn2F9MnF8
_chemical_formula_sum "Li2 Mn4 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space... |
SwapAtomsAction | dca3db40-e4d3-48e0-8c66-667df698451d | mp-3347425 | Swap the spatial positions of atoms at indices 28 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na9Li3Mg3Cl18
_chemical_formula_sum "Na9 Li3 Mg3 Cl18"
_cell_length_a 11.90235993
_cell_length_b 11.90235993
_cell_length_c 6.28689806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999999999999
_space_group_n... | data_image0
_chemical_formula_structural Na8ClLi3Mg3Cl13NaCl4
_chemical_formula_sum "Na9 Cl18 Li3 Mg3"
_cell_length_a 11.90235993
_cell_length_b 11.90235993
_cell_length_c 6.28689806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999999999999
_space_... |
SwapAtomsAction | 5c78387a-e583-4ca6-8de4-3e6a16001882 | mp-2824 | Swap the spatial positions of atoms at indices 3 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al4Pd8
_chemical_formula_sum "Al4 Pd8"
_cell_length_a 4.07169292
_cell_length_b 5.41975902
_cell_length_c 7.81286848
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Al3PdAlPd7
_chemical_formula_sum "Al4 Pd8"
_cell_length_a 4.07169292
_cell_length_b 5.41975902
_cell_length_c 7.81286848
_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 | 4ea43853-4ed4-4cb1-afb0-536142f63c91 | mp-1189263 | Swap the spatial positions of atoms at indices 12 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pd2N4O12
_chemical_formula_sum "Pd2 N4 O12"
_cell_length_a 4.909907
_cell_length_b 6.199307
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural PdON4O6PdO5
_chemical_formula_sum "Pd2 O12 N4"
_cell_length_a 4.909907
_cell_length_b 6.199307
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | ec2b35a4-4831-4ff3-b553-d2e201c460a0 | mp-1106129 | Swap the spatial positions of atoms at indices 7 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Bi4Te2Br2O9
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Bi4Te2BrO2BrO7
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | e6544133-a661-478f-ad35-5960241a1801 | mp-1043568 | Swap the spatial positions of atoms at indices 13 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta4P4O20
_chemical_formula_sum "Ta4 P4 O20"
_cell_length_a 10.39536412
_cell_length_b 9.10883856
_cell_length_c 7.12370371
_cell_angle_alpha 78.59862332999998
_cell_angle_beta 59.1987915
_cell_angle_gamma 42.202585170000006
_space_... | data_image0
_chemical_formula_structural Ta4OP3O5PO14
_chemical_formula_sum "Ta4 O20 P4"
_cell_length_a 10.39536412
_cell_length_b 9.10883856
_cell_length_c 7.12370371
_cell_angle_alpha 78.59862332999998
_cell_angle_beta 59.1987915
_cell_angle_gamma 42.202585170000006
_sp... |
SwapAtomsAction | e93af591-751e-430d-8dd7-e66820f95fa0 | mp-1043165 | Swap the spatial positions of atoms at indices 5 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Ni4Ge8O24
_chemical_formula_sum "Ca4 Ni4 Ge8 O24"
_cell_length_a 5.47812896
_cell_length_b 10.230362419999999
_cell_length_c 9.05647501
_cell_angle_alpha 89.99965499
_cell_angle_beta 90.00086354
_cell_angle_gamma 105.5279128
_sp... | data_image0
_chemical_formula_structural Ca4NiONi2Ge8ONiO22
_chemical_formula_sum "Ca4 Ni4 O24 Ge8"
_cell_length_a 5.47812896
_cell_length_b 10.230362419999999
_cell_length_c 9.05647501
_cell_angle_alpha 89.99965499
_cell_angle_beta 90.00086354
_cell_angle_gamma 105.527912... |
SwapAtomsAction | 793489dc-1518-4337-bb40-30c6057e4321 | mp-1218107 | 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 Sr2Pr2Co2Ru2O12
_chemical_formula_sum "Sr2 Pr2 Co2 Ru2 O12"
_cell_length_a 5.662629
_cell_length_b 5.612396
_cell_length_c 9.70411899
_cell_angle_alpha 54.77886112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sr2Pr2Co2RuO2RuO10
_chemical_formula_sum "Sr2 Pr2 Co2 Ru2 O12"
_cell_length_a 5.662629
_cell_length_b 5.612396
_cell_length_c 9.70411899
_cell_angle_alpha 54.77886112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | db8d7d2e-d80e-404a-9000-075df4030a18 | mp-1104551 | 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 DyZn12
_chemical_formula_sum "Dy1 Zn12"
_cell_length_a 6.70345637
_cell_length_b 6.7034563700000005
_cell_length_c 6.70345637
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.27002648
_space_group_na... | data_image0
_chemical_formula_structural Zn8DyZn4
_chemical_formula_sum "Zn12 Dy1"
_cell_length_a 6.70345637
_cell_length_b 6.7034563700000005
_cell_length_c 6.70345637
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.27002648
_space_group_... |
SwapAtomsAction | 3297c13f-dd79-45cf-adec-2b6a583ebf2b | mp-1047012 | 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 Ca4Nb4Ni2O16
_chemical_formula_sum "Ca4 Nb4 Ni2 O16"
_cell_length_a 9.95587492
_cell_length_b 9.95587492
_cell_length_c 5.48497163
_cell_angle_alpha 88.82553978000001
_cell_angle_beta 88.82553978000001
_cell_angle_gamma 36.909123379... | data_image0
_chemical_formula_structural Ca4Nb2ONbNi2NbO15
_chemical_formula_sum "Ca4 Nb4 O16 Ni2"
_cell_length_a 9.95587492
_cell_length_b 9.95587492
_cell_length_c 5.48497163
_cell_angle_alpha 88.82553978000001
_cell_angle_beta 88.82553978000001
_cell_angle_gamma 36.9091... |
SwapAtomsAction | ceb22424-a2d5-4241-bd86-3ab004185d66 | mp-1017477 | Swap the spatial positions of atoms at indices 12 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 La2Mg10WMgWMg
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 | 2fcb9bc2-529e-404b-8986-9b9b0444d788 | mp-1211269 | Swap the spatial positions of atoms at indices 24 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Al20Ru4
_chemical_formula_sum "La2 Al20 Ru4"
_cell_length_a 6.86797254
_cell_length_b 6.86797254
_cell_length_c 9.16754248
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.01280556000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural La2Al18RuAlRu2AlRu
_chemical_formula_sum "La2 Al20 Ru4"
_cell_length_a 6.86797254
_cell_length_b 6.86797254
_cell_length_c 9.16754248
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.01280556000002
_space_group_nam... |
SwapAtomsAction | 45adff92-8efa-455a-afdc-b97885f12b5d | mp-1246779 | Swap the spatial positions of atoms at indices 12 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural HfBa9Hf2BaHfN12
_chemical_formula_sum "Hf4 Ba10 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_gr... |
SwapAtomsAction | 49f48eb3-d695-44f0-bfeb-bf6e35459861 | mp-731924 | Swap the spatial positions of atoms at indices 3 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V4P4H20N4O24
_chemical_formula_sum "V4 P4 H20 N4 O24"
_cell_length_a 6.879497
_cell_length_b 9.163433
_cell_length_c 9.663734
_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 V3HP4VH19N4O24
_chemical_formula_sum "V4 H20 P4 N4 O24"
_cell_length_a 6.879497
_cell_length_b 9.163433
_cell_length_c 9.663734
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
SwapAtomsAction | 9d389dbe-ebfb-4fab-b0a8-fb771cc134c3 | mp-722271 | Swap the spatial positions of atoms at indices 36 and 47 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural H28Ru2S4N8O12
_chemical_formula_sum "H28 Ru2 S4 N8 O12"
_cell_length_a 7.091792
_cell_length_b 6.315075
_cell_length_c 11.76688332
_cell_angle_alpha 65.59141609
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural H28Ru2S4N2ON5O5NO6
_chemical_formula_sum "H28 Ru2 S4 N8 O12"
_cell_length_a 7.091792
_cell_length_b 6.315075
_cell_length_c 11.76688332
_cell_angle_alpha 65.59141609
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SwapAtomsAction | afa0b040-f3c7-443f-87f6-ba2dd8feb834 | mp-757164 | 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 Li3Mn2Co2O8
_chemical_formula_sum "Li3 Mn2 Co2 O8"
_cell_length_a 2.913698
_cell_length_b 4.99117083
_cell_length_c 10.06131636
_cell_angle_alpha 91.12704374
_cell_angle_beta 91.30901448
_cell_angle_gamma 90.70872344
_space_group_n... | data_image0
_chemical_formula_structural OLi2Mn2Co2LiO7
_chemical_formula_sum "O8 Li3 Mn2 Co2"
_cell_length_a 2.913698
_cell_length_b 4.99117083
_cell_length_c 10.06131636
_cell_angle_alpha 91.12704374
_cell_angle_beta 91.30901448
_cell_angle_gamma 90.70872344
_space_grou... |
SwapAtomsAction | d7e14f27-6be3-40a1-8a08-c4deb986aa10 | mp-698711 | Swap the spatial positions of atoms at indices 36 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr9NdFe5Mo5O30
_chemical_formula_sum "Sr9 Nd1 Fe5 Mo5 O30"
_cell_length_a 5.637495
_cell_length_b 9.79783622
_cell_length_c 12.74655048
_cell_angle_alpha 74.84030769
_cell_angle_beta 77.28271922
_cell_angle_gamma 73.31290808
_space... | data_image0
_chemical_formula_structural Sr8ONdFe5Mo5O16SrO13
_chemical_formula_sum "Sr9 O30 Nd1 Fe5 Mo5"
_cell_length_a 5.637495
_cell_length_b 9.79783622
_cell_length_c 12.74655048
_cell_angle_alpha 74.84030769
_cell_angle_beta 77.28271922
_cell_angle_gamma 73.31290808
... |
SwapAtomsAction | 7e99e51e-f59f-435b-b1ab-5d3de572434c | mp-1017129 | Swap the spatial positions of atoms at indices 4 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg12Bi2Sb2
_chemical_formula_sum "Mg12 Bi2 Sb2"
_cell_length_a 5.312534
_cell_length_b 6.518096
_cell_length_c 11.369786
_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 Mg4BiMg7BiMgSb2
_chemical_formula_sum "Mg12 Bi2 Sb2"
_cell_length_a 5.312534
_cell_length_b 6.518096
_cell_length_c 11.369786
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | 30089a3f-fcb7-4431-8173-fbfc5cc4d4c2 | mp-1366748 | 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 Li4Cr2P4O14
_chemical_formula_sum "Li4 Cr2 P4 O14"
_cell_length_a 5.515163
_cell_length_b 6.44625524
_cell_length_c 8.97687023
_cell_angle_alpha 110.58169125
_cell_angle_beta 92.70962614000001
_cell_angle_gamma 106.39633941
_space_... | data_image0
_chemical_formula_structural Li3CrLiCrP4O14
_chemical_formula_sum "Li4 Cr2 P4 O14"
_cell_length_a 5.515163
_cell_length_b 6.44625524
_cell_length_c 8.97687023
_cell_angle_alpha 110.58169125
_cell_angle_beta 92.70962614000001
_cell_angle_gamma 106.39633941
_spa... |
SwapAtomsAction | be3d9f10-0d43-4d5c-a344-edcbd540a881 | mp-1227760 | Swap the spatial positions of atoms at indices 12 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Dy6Sb6O28
_chemical_formula_sum "Ca4 Dy6 Sb6 O28"
_cell_length_a 7.48616469
_cell_length_b 7.48616469
_cell_length_c 10.49413412
_cell_angle_alpha 88.7638551
_cell_angle_beta 88.7638551
_cell_angle_gamma 90.36135191
_space_group... | data_image0
_chemical_formula_structural Ca4Dy2SbDy3Sb2DySb3O28
_chemical_formula_sum "Ca4 Dy6 Sb6 O28"
_cell_length_a 7.48616469
_cell_length_b 7.48616469
_cell_length_c 10.49413412
_cell_angle_alpha 88.7638551
_cell_angle_beta 88.7638551
_cell_angle_gamma 90.36135191
_s... |
SwapAtomsAction | 1f87be6b-8021-4a29-9bc1-eb289aa495d0 | mp-1213886 | 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 Ce8Tl8F40
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ce5FCe2Tl8F3CeF36
_chemical_formula_sum "Ce8 F40 Tl8"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_nam... |
SwapAtomsAction | e1ababbc-392b-4fb9-bd9d-fcda7b15a562 | mp-33255 | Swap the spatial positions of atoms at indices 5 and 18 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 Ni5ONi9O3NiO12
_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 | 1280c379-811f-4ca2-b5f7-6073112161c2 | mp-29249 | Swap the spatial positions of atoms at indices 20 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ge8As8Se8
_chemical_formula_sum "Ge8 As8 Se8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_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 GeSeGe6As8Se4GeSe3
_chemical_formula_sum "Ge8 Se8 As8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 4c6c7484-ee62-41c3-b61f-9d25ac546e30 | mp-1208926 | Swap the spatial positions of atoms at indices 2 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm4Ga18Ir6
_chemical_formula_sum "Sm4 Ga18 Ir6"
_cell_length_a 7.53738553
_cell_length_b 7.53738593
_cell_length_c 9.53524239
_cell_angle_alpha 90.00030669
_cell_angle_beta 90.00030257
_cell_angle_gamma 119.75825073
_space_group_na... | data_image0
_chemical_formula_structural Sm2GaSmGa6SmGa11Ir6
_chemical_formula_sum "Sm4 Ga18 Ir6"
_cell_length_a 7.53738553
_cell_length_b 7.53738593
_cell_length_c 9.53524239
_cell_angle_alpha 90.00030669
_cell_angle_beta 90.00030257
_cell_angle_gamma 119.75825073
_space... |
SwapAtomsAction | 92c3b8c4-67e2-4365-ac9f-375eccde3523 | mp-1225219 | Swap the spatial positions of atoms at indices 3 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural EuAl8SiAu4
_chemical_formula_sum "Eu1 Al8 Si1 Au4"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_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 EuAl2SiAl6Au4
_chemical_formula_sum "Eu1 Al8 Si1 Au4"
_cell_length_a 4.294821
_cell_length_b 4.294821
_cell_length_c 14.472911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | 0d474370-0e2c-47f3-98cc-3952a9505966 | mp-6632 | Swap the spatial positions of atoms at indices 6 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural 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 Ca5BOBO4BO4F
_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
_... |
SwapAtomsAction | 27bccdb9-7da3-49f9-b784-123ed9898863 | mp-21705 | Swap the spatial positions of atoms at indices 33 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8In12Ag4Se24
_chemical_formula_sum "K8 In12 Ag4 Se24"
_cell_length_a 8.29834724
_cell_length_b 8.29834746
_cell_length_c 21.383902849999995
_cell_angle_alpha 84.27447969000002
_cell_angle_beta 84.27447803
_cell_angle_gamma 89.88291... | data_image0
_chemical_formula_structural K8SeIn11Ag4Se9InSe14
_chemical_formula_sum "K8 Se24 In12 Ag4"
_cell_length_a 8.29834724
_cell_length_b 8.29834746
_cell_length_c 21.383902849999995
_cell_angle_alpha 84.27447969000002
_cell_angle_beta 84.27447803
_cell_angle_gamma 8... |
SwapAtomsAction | 5079b251-417c-4bbf-a2f5-76e82f0264a8 | mp-754552 | 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 Li3Mn4B4O12
_chemical_formula_sum "Li3 Mn4 B4 O12"
_cell_length_a 5.291494
_cell_length_b 6.20734319
_cell_length_c 7.842728
_cell_angle_alpha 79.14851024
_cell_angle_beta 87.42970977
_cell_angle_gamma 87.53834646
_space_group_name... | data_image0
_chemical_formula_structural Li3Mn3OB4MnO11
_chemical_formula_sum "Li3 Mn4 O12 B4"
_cell_length_a 5.291494
_cell_length_b 6.20734319
_cell_length_c 7.842728
_cell_angle_alpha 79.14851024
_cell_angle_beta 87.42970977
_cell_angle_gamma 87.53834646
_space_group_n... |
SwapAtomsAction | 43035d95-063c-4a0e-8cc7-d226aab0dafb | mp-1214888 | Swap the spatial positions of atoms at indices 8 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... | data_image0
_chemical_formula_structural AlZn2SbH4OH7O8HO3
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_... |
SwapAtomsAction | 6ed7cea8-24ee-4c7c-81e0-15017c6a1900 | mp-1233053 | Swap the spatial positions of atoms at indices 0 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgV8O8F8
_chemical_formula_sum "Mg1 V8 O8 F8"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_grou... | data_image0
_chemical_formula_structural FV8O8MgF7
_chemical_formula_sum "F8 V8 O8 Mg1"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_gro... |
SwapAtomsAction | 152562d6-31c2-4b78-9b56-10179f9ad5a6 | mp-2227274 | 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 MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... | data_image0
_chemical_formula_structural MgWOBr4OWO2
_chemical_formula_sum "Mg1 W2 O4 Br4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.1808... |
SwapAtomsAction | 4cb040bc-d82b-4f7f-bc3d-9025a0eb75e3 | mp-1191832 | 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 Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 NaMo7NaMoO12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 | 3daa87b4-defd-45cb-b21b-529664d9245c | mp-1200783 | Swap the spatial positions of atoms at indices 72 and 35 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4B24S16Cl24O32
_chemical_formula_sum "K4 B24 S16 Cl24 O32"
_cell_length_a 20.732491
_cell_length_b 9.842671
_cell_length_c 10.54402364
_cell_angle_alpha 79.37372503
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural K4B24S7OS8Cl24O4SO27
_chemical_formula_sum "K4 B24 S16 O32 Cl24"
_cell_length_a 20.732491
_cell_length_b 9.842671
_cell_length_c 10.54402364
_cell_angle_alpha 79.37372503
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SwapAtomsAction | 6c2da391-6913-431d-aa37-232706c1f0a5 | mp-1219284 | Swap the spatial positions of atoms at indices 2 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural ScNbPb2O6
_chemical_formula_sum "Sc1 Nb1 Pb2 O6"
_cell_length_a 5.81839845
_cell_length_b 5.81839845
_cell_length_c 5.81839845
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural ScPbNbPbO6
_chemical_formula_sum "Sc1 Pb2 Nb1 O6"
_cell_length_a 5.81839845
_cell_length_b 5.81839845
_cell_length_c 5.81839845
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
SwapAtomsAction | 8e1c7225-e456-485d-9c34-ab7e0b5934e5 | mp-541520 | Swap the spatial positions of atoms at indices 34 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2V6Se4O24
_chemical_formula_sum "K2 V6 Se4 O24"
_cell_length_a 7.15859961
_cell_length_b 7.15859961
_cell_length_c 11.932191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999635000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K2V6Se3O23SeO
_chemical_formula_sum "K2 V6 Se4 O24"
_cell_length_a 7.15859961
_cell_length_b 7.15859961
_cell_length_c 11.932191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999635000002
_space_group_name_H-... |
SwapAtomsAction | a828e5a7-9449-4e87-9d27-1686e7772836 | mp-558208 | Swap the spatial positions of atoms at indices 22 and 14 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 Rb4In4As6OAsO6AsO21
_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... |
SwapAtomsAction | 84ea622a-0f7d-4c1a-a5b9-8bcd3b8fca7a | mp-561165 | Swap the spatial positions of atoms at indices 3 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V6Bi12O30
_chemical_formula_sum "V6 Bi12 O30"
_cell_length_a 11.26970933
_cell_length_b 11.26970933
_cell_length_c 5.469955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 94.31418871
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural V3OV2Bi12O9VO20
_chemical_formula_sum "V6 O30 Bi12"
_cell_length_a 11.26970933
_cell_length_b 11.26970933
_cell_length_c 5.469955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 94.31418871
_space_group_name_H-M_alt ... |
SwapAtomsAction | 876c0a8f-adcb-4582-9eb4-441dabc5ac87 | mp-16136 | Swap the spatial positions of atoms at indices 13 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_n... | data_image0
_chemical_formula_structural Sr3TaGa2OSi2O4GaO9
_chemical_formula_sum "Sr3 Ta1 Ga3 O14 Si2"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_gro... |
SwapAtomsAction | d1d4592f-0d59-48bc-94df-dd577574500e | mp-1178577 | Swap the spatial positions of atoms at indices 10 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al4Fe4O12
_chemical_formula_sum "Al4 Fe4 O12"
_cell_length_a 4.96358685
_cell_length_b 4.963348700000001
_cell_length_c 9.494494210000001
_cell_angle_alpha 105.15160027000002
_cell_angle_beta 90.00137238
_cell_angle_gamma 119.998490... | data_image0
_chemical_formula_structural Al4Fe2OFeO2FeO9
_chemical_formula_sum "Al4 Fe4 O12"
_cell_length_a 4.96358685
_cell_length_b 4.963348700000001
_cell_length_c 9.494494210000001
_cell_angle_alpha 105.15160027000002
_cell_angle_beta 90.00137238
_cell_angle_gamma 119.... |
SwapAtomsAction | 17290983-18b1-433b-aed0-6dfe89db6baf | mp-1234848 | Swap the spatial positions of atoms at indices 23 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgAg14Pb6O18
_chemical_formula_sum "Mg1 Ag14 Pb6 O18"
_cell_length_a 9.08901966
_cell_length_b 8.95184834
_cell_length_c 8.79319796
_cell_angle_alpha 72.02934903
_cell_angle_beta 106.18165753
_cell_angle_gamma 106.745119
_space_gro... | data_image0
_chemical_formula_structural MgAg14OPb5O2PbO15
_chemical_formula_sum "Mg1 Ag14 O18 Pb6"
_cell_length_a 9.08901966
_cell_length_b 8.95184834
_cell_length_c 8.79319796
_cell_angle_alpha 72.02934903
_cell_angle_beta 106.18165753
_cell_angle_gamma 106.745119
_spac... |
SwapAtomsAction | b3996103-2854-4735-9f02-e23ac157284e | mp-1193201 | Swap the spatial positions of atoms at indices 8 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Gd12Se12N4
_chemical_formula_sum "Gd12 Se12 N4"
_cell_length_a 4.00144105
_cell_length_b 12.65259632
_cell_length_c 13.22567041
_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 Gd8SeGd3SeGdSe10N4
_chemical_formula_sum "Gd12 Se12 N4"
_cell_length_a 4.00144105
_cell_length_b 12.65259632
_cell_length_c 13.22567041
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 5b8b46d7-e9b8-4aeb-bb97-c5144c8b9ce8 | mp-1192980 | 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 Tb10In8Pd4
_chemical_formula_sum "Tb10 In8 Pd4"
_cell_length_a 8.06403957
_cell_length_b 18.26175944
_cell_length_c 3.648529
_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 Tb10InPdIn6Pd2InPd
_chemical_formula_sum "Tb10 In8 Pd4"
_cell_length_a 8.06403957
_cell_length_b 18.26175944
_cell_length_c 3.648529
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | faa5e714-a0e1-4cb6-8aa2-aa561e864500 | mp-1030516 | Swap the spatial positions of atoms at indices 0 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34368152
_cell_length_b 3.3436815200000005
_cell_length_c 38.056017
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999905
_space_group_na... | data_image0
_chemical_formula_structural MoTe2MoW2Se4S2
_chemical_formula_sum "Mo2 Te2 W2 Se4 S2"
_cell_length_a 3.34368152
_cell_length_b 3.3436815200000005
_cell_length_c 38.056017
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999905
_space_group_n... |
SwapAtomsAction | 5742e849-8040-422f-9532-206f2352a347 | mp-1111200 | Swap the spatial positions of atoms at indices 3 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2TlAsI6
_chemical_formula_sum "K2 Tl1 As1 I6"
_cell_length_a 8.68891116
_cell_length_b 8.68891116
_cell_length_c 8.68891116
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural AsKTlKI6
_chemical_formula_sum "As1 K2 Tl1 I6"
_cell_length_a 8.68891116
_cell_length_b 8.68891116
_cell_length_c 8.68891116
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
SwapAtomsAction | 100284b7-271a-4db7-984b-e4910559656e | mp-545706 | Swap the spatial positions of atoms at indices 5 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca3Cu2Br2O4
_chemical_formula_sum "Ca3 Cu2 Br2 O4"
_cell_length_a 12.26960226
_cell_length_b 12.26960226
_cell_length_c 12.26960226
_cell_angle_alpha 161.80740200000002
_cell_angle_beta 161.80740200000002
_cell_angle_gamma 25.838674... | data_image0
_chemical_formula_structural Ca3Cu2OBr2O3
_chemical_formula_sum "Ca3 Cu2 O4 Br2"
_cell_length_a 12.26960226
_cell_length_b 12.26960226
_cell_length_c 12.26960226
_cell_angle_alpha 161.80740200000002
_cell_angle_beta 161.80740200000002
_cell_angle_gamma 25.83867... |
SwapAtomsAction | caf51aee-ba9c-4d57-8ee9-e75e27b237b4 | mp-1523289 | 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 BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... | data_image0
_chemical_formula_structural BaCaSn3O12Sn
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group... |
SwapAtomsAction | a588aa20-e852-41f0-b31f-01389377e353 | mp-559163 | Swap the spatial positions of atoms at indices 8 and 29 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Fe4As8O28
_chemical_formula_sum "K4 Fe4 As8 O28"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space_gro... | data_image0
_chemical_formula_structural K4Fe4OAs7O13AsO14
_chemical_formula_sum "K4 Fe4 O28 As8"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_spa... |
SwapAtomsAction | 63e2f4ff-7798-4efc-b699-cbb1a09bf998 | mp-1176298 | Swap the spatial positions of atoms at indices 4 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.943337
_cell_length_b 10.048640040000002
_cell_length_c 10.16174457
_cell_angle_alpha 107.81864797
_cell_angle_beta 90.88685677000001
_cell_angle_gamma 91.4144918... | data_image0
_chemical_formula_structural Li4CoLi4Mn2CoLiCo3O16
_chemical_formula_sum "Li9 Co5 Mn2 O16"
_cell_length_a 2.943337
_cell_length_b 10.048640040000002
_cell_length_c 10.16174457
_cell_angle_alpha 107.81864797
_cell_angle_beta 90.88685677000001
_cell_angle_gamma 9... |
SwapAtomsAction | 4afe47de-d5a2-4c18-ac79-a240d98a13e8 | mp-550300 | 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 RbNa7Co2O6
_chemical_formula_sum "Rb1 Na7 Co2 O6"
_cell_length_a 5.87513627
_cell_length_b 5.87513627
_cell_length_c 10.814337349999999
_cell_angle_alpha 88.75479323
_cell_angle_beta 88.75479323
_cell_angle_gamma 44.360227630000004
... | data_image0
_chemical_formula_structural RbONa6Co2O3NaO2
_chemical_formula_sum "Rb1 O6 Na7 Co2"
_cell_length_a 5.87513627
_cell_length_b 5.87513627
_cell_length_c 10.814337349999999
_cell_angle_alpha 88.75479323
_cell_angle_beta 88.75479323
_cell_angle_gamma 44.36022763000... |
SwapAtomsAction | 6bf4c23c-a0f4-4114-bb7b-b29ed36556f8 | mp-1208371 | Swap the spatial positions of atoms at indices 35 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 Tl4N8Cl4OCl15O3Cl
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 7c410f2f-1eee-44d5-b83e-d67a817c64c5 | mp-757215 | 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 Gd5As2O12
_chemical_formula_sum "Gd5 As2 O12"
_cell_length_a 6.89701519
_cell_length_b 6.89701519
_cell_length_c 7.3787781
_cell_angle_alpha 74.46528271
_cell_angle_beta 74.46528271
_cell_angle_gamma 51.11359275000001
_space_group_... | data_image0
_chemical_formula_structural Gd3OGdAs2O2GdO9
_chemical_formula_sum "Gd5 O12 As2"
_cell_length_a 6.89701519
_cell_length_b 6.89701519
_cell_length_c 7.3787781
_cell_angle_alpha 74.46528271
_cell_angle_beta 74.46528271
_cell_angle_gamma 51.11359275000001
_space_... |
SwapAtomsAction | 564ed7f2-1f6b-48eb-a1d4-a4f3d85ff133 | mp-22244 | 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 Gd2Cr2O8
_chemical_formula_sum "Gd2 Cr2 O8"
_cell_length_a 5.98567858
_cell_length_b 5.985658249999999
_cell_length_c 5.985555230000001
_cell_angle_alpha 106.16209605
_cell_angle_beta 106.16227016999999
_cell_angle_gamma 116.3140512... | data_image0
_chemical_formula_structural OGdCr2O4GdO3
_chemical_formula_sum "O8 Gd2 Cr2"
_cell_length_a 5.98567858
_cell_length_b 5.985658249999999
_cell_length_c 5.985555230000001
_cell_angle_alpha 106.16209605
_cell_angle_beta 106.16227016999999
_cell_angle_gamma 116.314... |
SwapAtomsAction | 02fd76f7-4aeb-40e0-aa05-650ccb891e8a | mp-643934 | 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 Cu2H4C4O8
_chemical_formula_sum "Cu2 H4 C4 O8"
_cell_length_a 7.982289
_cell_length_b 6.326653
_cell_length_c 8.09958624
_cell_angle_alpha 78.7284835
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Cu2HOH2C4O7H
_chemical_formula_sum "Cu2 H4 O8 C4"
_cell_length_a 7.982289
_cell_length_b 6.326653
_cell_length_c 8.09958624
_cell_angle_alpha 78.7284835
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | fbd0af19-d718-43ee-a279-ea4d689aa577 | mp-1667139 | Swap the spatial positions of atoms at indices 8 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Li8Fe4P4C4O28
_chemical_formula_sum "Na4 Li8 Fe4 P4 C4 O28"
_cell_length_a 5.06386532
_cell_length_b 11.2248252
_cell_length_c 10.67264271
_cell_angle_alpha 104.4699212
_cell_angle_beta 92.92328863
_cell_angle_gamma 86.98602994
... | data_image0
_chemical_formula_structural Na4Li4FeLi3Fe3LiP4C4O28
_chemical_formula_sum "Na4 Li8 Fe4 P4 C4 O28"
_cell_length_a 5.06386532
_cell_length_b 11.2248252
_cell_length_c 10.67264271
_cell_angle_alpha 104.4699212
_cell_angle_beta 92.92328863
_cell_angle_gamma 86.986... |
SwapAtomsAction | 6fd338bc-1488-4b28-895a-a28f240c50d5 | mp-1508 | 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 La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_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 SLa7SLaS14
_chemical_formula_sum "S16 La8"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_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 | d9434e83-fbbb-41b2-af7c-3e8df11de746 | mp-759889 | Swap the spatial positions of atoms at indices 17 and 38 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 9.01812527
_cell_length_b 9.01812527
_cell_length_c 9.862150509999998
_cell_angle_alpha 56.81618735
_cell_angle_beta 56.816187349999986
_cell_angle_gamma 71.85790404
_... | data_image0
_chemical_formula_structural Li8V4C5OC2O18CO5
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 9.01812527
_cell_length_b 9.01812527
_cell_length_c 9.862150509999998
_cell_angle_alpha 56.81618735
_cell_angle_beta 56.816187349999986
_cell_angle_gamma 71.85790... |
SwapAtomsAction | 3b44c034-48a5-4e5c-b152-d5db8ec83028 | mp-29249 | 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 Ge8As8Se8
_chemical_formula_sum "Ge8 As8 Se8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_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 Ge5AsGe2As2GeAs5Se8
_chemical_formula_sum "Ge8 As8 Se8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 4930e383-b9b3-4611-8e77-d41ee6ed06aa | mp-1178619 | Swap the spatial positions of atoms at indices 26 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr2Cl8O32
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... | data_image0
_chemical_formula_structural Zr2Cl2OCl5O16ClO15
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_s... |
SwapAtomsAction | d61fd463-560e-49d7-9007-e6bd653b5548 | mp-1072993 | Swap the spatial positions of atoms at indices 12 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.42959707
_cell_length_b 5.429597070000001
_cell_length_c 18.53523443
_cell_angle_alpha 80.42024984999999
_cell_angle_beta 80.42024984999999
_cell_angle_gamma 41.3923071800000... | data_image0
_chemical_formula_structural Mg4SiMg3Si4MgSi7
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.42959707
_cell_length_b 5.429597070000001
_cell_length_c 18.53523443
_cell_angle_alpha 80.42024984999999
_cell_angle_beta 80.42024984999999
_cell_angle_gamma 41.3923... |
SwapAtomsAction | c73be3c5-4d8c-4759-974e-f93315d3c79b | mp-776005 | Swap the spatial positions of atoms at indices 13 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4FeBiTe2O12
_chemical_formula_sum "Li4 Fe1 Bi1 Te2 O12"
_cell_length_a 5.24111
_cell_length_b 5.499534170000001
_cell_length_c 7.6237615
_cell_angle_alpha 86.09602721999998
_cell_angle_beta 89.98108368
_cell_angle_gamma 89.7893311... | data_image0
_chemical_formula_structural Li3OFeBiTe2O5LiO6
_chemical_formula_sum "Li4 O12 Fe1 Bi1 Te2"
_cell_length_a 5.24111
_cell_length_b 5.499534170000001
_cell_length_c 7.6237615
_cell_angle_alpha 86.09602721999998
_cell_angle_beta 89.98108368
_cell_angle_gamma 89.789... |
SwapAtomsAction | efce255a-d4f0-4e65-b3da-56fa9e139a1c | mp-723254 | Swap the spatial positions of atoms at indices 20 and 29 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na11Zr8Si7P5O48
_chemical_formula_sum "Na11 Zr8 Si7 P5 O48"
_cell_length_a 9.14653
_cell_length_b 9.16047102
_cell_length_c 16.214463389999995
_cell_angle_alpha 106.09077692999999
_cell_angle_beta 90.2238237
_cell_angle_gamma 119.76... | data_image0
_chemical_formula_structural Na11Zr8SiPSi5P3SiPO48
_chemical_formula_sum "Na11 Zr8 Si7 P5 O48"
_cell_length_a 9.14653
_cell_length_b 9.16047102
_cell_length_c 16.214463389999995
_cell_angle_alpha 106.09077692999999
_cell_angle_beta 90.2238237
_cell_angle_gamma ... |
SwapAtomsAction | a8933a2d-ce16-4ef6-b7bb-02ade6b65a2f | mp-1112440 | Swap the spatial positions of atoms at indices 6 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K2AlAuCl6
_chemical_formula_sum "K2 Al1 Au1 Cl6"
_cell_length_a 7.1909408
_cell_length_b 7.1909408
_cell_length_c 7.1909408
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2AlCl3AuCl3
_chemical_formula_sum "K2 Al1 Cl6 Au1"
_cell_length_a 7.1909408
_cell_length_b 7.1909408
_cell_length_c 7.1909408
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
SwapAtomsAction | 236eeeaa-154e-44d9-8bab-d626acc5c271 | mp-1224356 | Swap the spatial positions of atoms at indices 6 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ge5Te4Se
_chemical_formula_sum "Ge5 Te4 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.2626... | data_image0
_chemical_formula_structural TeGe4TeGeTe2Se
_chemical_formula_sum "Te4 Ge5 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 2... |
SwapAtomsAction | e71d574a-7e14-4e91-ade6-1b4d9516b75c | mp-1147652 | Swap the spatial positions of atoms at indices 13 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho2Mn4O8
_chemical_formula_sum "Ho2 Mn4 O8"
_cell_length_a 6.46878885
_cell_length_b 6.46878885
_cell_length_c 6.252995219999999
_cell_angle_alpha 61.512189039999996
_cell_angle_beta 61.512189039999996
_cell_angle_gamma 57.256611459... | data_image0
_chemical_formula_structural Ho2Mn2OMnO7Mn
_chemical_formula_sum "Ho2 Mn4 O8"
_cell_length_a 6.46878885
_cell_length_b 6.46878885
_cell_length_c 6.252995219999999
_cell_angle_alpha 61.512189039999996
_cell_angle_beta 61.512189039999996
_cell_angle_gamma 57.2566... |
SwapAtomsAction | 902a1967-e540-4820-a4d5-6676c790a7a4 | mp-770592 | Swap the spatial positions of atoms at indices 3 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn8P4O20
_chemical_formula_sum "Mn8 P4 O20"
_cell_length_a 7.30761921
_cell_length_b 7.3076192099999995
_cell_length_c 9.74046943
_cell_angle_alpha 62.55562623
_cell_angle_beta 62.55562623
_cell_angle_gamma 52.93347707
_space_group... | data_image0
_chemical_formula_structural Mn3OMn4P4O12MnO7
_chemical_formula_sum "Mn8 O20 P4"
_cell_length_a 7.30761921
_cell_length_b 7.3076192099999995
_cell_length_c 9.74046943
_cell_angle_alpha 62.55562623
_cell_angle_beta 62.55562623
_cell_angle_gamma 52.93347707
_spa... |
SwapAtomsAction | 30b50af8-76b2-4add-9316-d89ee8677b7a | mp-758001 | Swap the spatial positions of atoms at indices 15 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V4C4O20
_chemical_formula_sum "Li8 V4 C4 O20"
_cell_length_a 2.939704
_cell_length_b 9.426139
_cell_length_c 12.017675
_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 Li7CV4C3LiO20
_chemical_formula_sum "Li8 C4 V4 O20"
_cell_length_a 2.939704
_cell_length_b 9.426139
_cell_length_c 12.017675
_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 | 9ad9eb20-1ede-41cf-a497-d82c8efc6a04 | mp-672256 | Swap the spatial positions of atoms at indices 6 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y20Ga12
_chemical_formula_sum "Y20 Ga12"
_cell_length_a 7.6455743
_cell_length_b 7.6455743
_cell_length_c 14.16449461
_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 Y6GaY13Ga4YGa7
_chemical_formula_sum "Y20 Ga12"
_cell_length_a 7.6455743
_cell_length_b 7.6455743
_cell_length_c 14.16449461
_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 | 5977fee2-1192-45bb-9792-b05645d5c064 | mp-1096957 | Swap the spatial positions of atoms at indices 14 and 32 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr24N48
_chemical_formula_sum "Cr24 N48"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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 Cr14NCr9N8CrN39
_chemical_formula_sum "Cr24 N48"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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 | e36ac3fb-20bf-4e9d-8e55-4c450f1f3826 | mp-935148 | Swap the spatial positions of atoms at indices 4 and 37 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg20Zn35
_chemical_formula_sum "Mg20 Zn35"
_cell_length_a 13.15153151
_cell_length_b 13.151531510000002
_cell_length_c 14.14062752
_cell_angle_alpha 77.68749914
_cell_angle_beta 77.68749914
_cell_angle_gamma 23.190281420000012
_spa... | data_image0
_chemical_formula_structural Mg4ZnMg15Zn17MgZn17
_chemical_formula_sum "Mg20 Zn35"
_cell_length_a 13.15153151
_cell_length_b 13.151531510000002
_cell_length_c 14.14062752
_cell_angle_alpha 77.68749914
_cell_angle_beta 77.68749914
_cell_angle_gamma 23.1902814200... |
SwapAtomsAction | 1f093ed5-badc-4132-897b-323200f4e7c7 | mp-755023 | Swap the spatial positions of atoms at indices 6 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2Mn3O8
_chemical_formula_sum "Mg2 Mn3 O8"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group_name_... | data_image0
_chemical_formula_structural Mg2Mn2O2MnO6
_chemical_formula_sum "Mg2 Mn3 O8"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group_n... |
SwapAtomsAction | eae60064-f46c-4d5f-8afc-20d3a67b539e | mp-1105449 | Swap the spatial positions of atoms at indices 19 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm2TlSeP4Se11Tl
_chemical_formula_sum "Sm2 Tl2 Se12 P4"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | 44e3ff44-e9fe-43fd-9fd9-3df6d0dabe9f | mp-1178408 | Swap the spatial positions of atoms at indices 14 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural CsOCs6Hf4O2CsO9
_chemical_formula_sum "Cs8 O12 Hf4"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_... |
SwapAtomsAction | ad86c9dc-5a8a-4456-bd28-6e44bb472161 | mp-1569720 | 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 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 Li4Si2OSiNi2OSiO10
_chemical_formula_sum "Li4 Si4 O12 Ni2"
_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 75.5... |
SwapAtomsAction | 74d0d023-86af-43f9-8101-ce407fb70a62 | mp-1185672 | Swap the spatial positions of atoms at indices 14 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg16Al12H
_chemical_formula_sum "Mg16 Al12 H1"
_cell_length_a 9.10495516
_cell_length_b 9.10495516
_cell_length_c 9.06015584
_cell_angle_alpha 70.47656207
_cell_angle_beta 70.47656207
_cell_angle_gamma 109.49636402000002
_space_gro... | data_image0
_chemical_formula_structural Mg14AlMgAlMgAl10H
_chemical_formula_sum "Mg16 Al12 H1"
_cell_length_a 9.10495516
_cell_length_b 9.10495516
_cell_length_c 9.06015584
_cell_angle_alpha 70.47656207
_cell_angle_beta 70.47656207
_cell_angle_gamma 109.49636402000002
_s... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.