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 | 729506c9-8297-40d9-8a81-0b414fbbdb20 | mp-600038 | Swap the spatial positions of atoms at indices 2 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_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 Si2OSi7O14SiO5
_chemical_formula_sum "Si10 O20"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | 68bff5eb-d1b8-4c9c-94f7-831c26f2ab07 | mp-531064 | Swap the spatial positions of atoms at indices 51 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K8Mo24Br56
_chemical_formula_sum "K8 Mo24 Br56"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_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 BrK7Mo24Br19KBr36
_chemical_formula_sum "Br56 K8 Mo24"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | 59e6ca73-158c-45c5-96e9-ee0285247cf1 | mp-1518110 | Swap the spatial positions of atoms at indices 8 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural SrEuYCoO6
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... | data_image0
_chemical_formula_structural SrOYCoO4EuO
_chemical_formula_sum "Sr1 O6 Y1 Co1 Eu1"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... |
SwapAtomsAction | 46e9c31a-8f7f-48fe-8fc5-2d3d8685b610 | mp-1224634 | Swap the spatial positions of atoms at indices 27 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In9Ga3Bi4S24
_chemical_formula_sum "In9 Ga3 Bi4 S24"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural In3SIn5Ga3Bi4S11InS12
_chemical_formula_sum "In9 S24 Ga3 Bi4"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SwapAtomsAction | 5d9b306b-76c6-4cc8-888e-6e7ce45b17e6 | mp-21286 | 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 Mn4Co4Ge4
_chemical_formula_sum "Mn4 Co4 Ge4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn2GeMnCo4Ge3Mn
_chemical_formula_sum "Mn4 Ge4 Co4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SwapAtomsAction | 14d7e34a-5616-401c-87bd-0f8f5a930a42 | mp-1111080 | 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 K3GaF6
_chemical_formula_sum "K3 Ga1 F6"
_cell_length_a 6.15047484
_cell_length_b 6.15047484
_cell_length_c 6.15047484
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spa... | data_image0
_chemical_formula_structural K2FGaKF5
_chemical_formula_sum "K3 F6 Ga1"
_cell_length_a 6.15047484
_cell_length_b 6.15047484
_cell_length_c 6.15047484
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... |
SwapAtomsAction | f25dd8e6-65b6-4abc-a425-fb7fc0d8df73 | mp-1237261 | Swap the spatial positions of atoms at indices 5 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba3MnF12
_chemical_formula_sum "Ba3 Mn1 F12"
_cell_length_a 8.16736363
_cell_length_b 8.16736363
_cell_length_c 6.800095679999999
_cell_angle_alpha 88.67356185
_cell_angle_beta 88.67356185
_cell_angle_gamma 119.35473064
_space_grou... | data_image0
_chemical_formula_structural BaFBaMnFBaF10
_chemical_formula_sum "Ba3 F12 Mn1"
_cell_length_a 8.16736363
_cell_length_b 8.16736363
_cell_length_c 6.800095679999999
_cell_angle_alpha 88.67356185
_cell_angle_beta 88.67356185
_cell_angle_gamma 119.35473064
_space... |
SwapAtomsAction | 766b601d-a10b-4fe9-a710-fe2c56ca5059 | mp-1198355 | Swap the spatial positions of atoms at indices 52 and 24 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 Sr4B20OBO26BO17
_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 | 5df4ec16-8d30-4d0c-9d63-c0b1a59c71b7 | mp-1519604 | Swap the spatial positions of atoms at indices 5 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Eu2W2O12
_chemical_formula_sum "Sr4 Eu2 W2 O12"
_cell_length_a 5.88026664
_cell_length_b 6.07182821
_cell_length_c 8.43527617
_cell_angle_alpha 89.97895811
_cell_angle_beta 90.46221734
_cell_angle_gamma 89.98973499
_space_group_... | data_image0
_chemical_formula_structural SrEuSr2EuSrW2O12
_chemical_formula_sum "Sr4 Eu2 W2 O12"
_cell_length_a 5.88026664
_cell_length_b 6.07182821
_cell_length_c 8.43527617
_cell_angle_alpha 89.97895811
_cell_angle_beta 90.46221734
_cell_angle_gamma 89.98973499
_space_g... |
SwapAtomsAction | 48b3fd06-3fff-4ae4-92d5-a0ee59df2af0 | mp-753615 | 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 Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3MnFMnO4F3Mn
_chemical_formula_sum "Li3 Mn3 F4 O4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_gro... |
SwapAtomsAction | 40ada074-01da-4797-9bf0-97483d8ddc4f | mp-14550 | Swap the spatial positions of atoms at indices 4 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4Cd4O12
_chemical_formula_sum "Ti4 Cd4 O12"
_cell_length_a 5.369678
_cell_length_b 5.486639
_cell_length_c 7.718095
_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 Ti4OCd3O8CdO3
_chemical_formula_sum "Ti4 O12 Cd4"
_cell_length_a 5.369678
_cell_length_b 5.486639
_cell_length_c 7.718095
_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 | 7208f3e4-3f59-421c-9c11-f19538ceb52b | mp-753161 | Swap the spatial positions of atoms at indices 11 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V4O8F8
_chemical_formula_sum "Li8 V4 O8 F8"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_space_g... | data_image0
_chemical_formula_structural Li8V3FO8FVF6
_chemical_formula_sum "Li8 V4 F8 O8"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_spac... |
SwapAtomsAction | cd57b627-5ed5-48fc-ab57-3503ed04a44d | mp-677070 | Swap the spatial positions of atoms at indices 44 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V18Ni2O30
_chemical_formula_sum "V18 Ni2 O30"
_cell_length_a 7.534096
_cell_length_b 8.8214313
_cell_length_c 9.09382388
_cell_angle_alpha 80.76396242
_cell_angle_beta 71.80909095
_cell_angle_gamma 67.0160077
_space_group_name_H-M_... | data_image0
_chemical_formula_structural OV17Ni2O24VO5
_chemical_formula_sum "O30 V18 Ni2"
_cell_length_a 7.534096
_cell_length_b 8.8214313
_cell_length_c 9.09382388
_cell_angle_alpha 80.76396242
_cell_angle_beta 71.80909095
_cell_angle_gamma 67.0160077
_space_group_name_... |
SwapAtomsAction | 823d98de-31f2-44bb-9ca4-179dd32f30d5 | mp-23675 | 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 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 H6NHBr2HN
_chemical_formula_sum "H8 N2 Br2"
_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_g... |
SwapAtomsAction | f67cebf4-99ba-4bf0-93b0-82f398327d6c | mp-761404 | Swap the spatial positions of atoms at indices 26 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co10Cu2O16
_chemical_formula_sum "Co10 Cu2 O16"
_cell_length_a 5.70306307
_cell_length_b 9.970635759999999
_cell_length_c 5.7029860900000005
_cell_angle_alpha 73.38625429000001
_cell_angle_beta 119.99147556000001
_cell_angle_gamma 9... | data_image0
_chemical_formula_structural Co6OCo3Cu2O14CoO
_chemical_formula_sum "Co10 O16 Cu2"
_cell_length_a 5.70306307
_cell_length_b 9.970635759999999
_cell_length_c 5.7029860900000005
_cell_angle_alpha 73.38625429000001
_cell_angle_beta 119.99147556000001
_cell_angle_gamm... |
SwapAtomsAction | 4513aa78-c5fa-4278-acfd-731577b7db27 | mp-30210 | 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 La10Sn6Cl2
_chemical_formula_sum "La10 Sn6 Cl2"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
_space_gr... | data_image0
_chemical_formula_structural La5SnLa4Sn3LaSn2Cl2
_chemical_formula_sum "La10 Sn6 Cl2"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
... |
SwapAtomsAction | 06a1cdf5-3bdc-4ddd-8819-a79420f309d8 | mp-1226157 | 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 Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... | data_image0
_chemical_formula_structural Cs2OW3TiO11
_chemical_formula_sum "Cs2 O12 W3 Ti1"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.4037... |
SwapAtomsAction | b62b3887-2864-48a1-a63f-ab47a6594790 | mp-1177469 | Swap the spatial positions of atoms at indices 17 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn3Fe3O12
_chemical_formula_sum "Li4 Mn3 Fe3 O12"
_cell_length_a 5.133782
_cell_length_b 6.00692906
_cell_length_c 7.94440924
_cell_angle_alpha 78.7039096
_cell_angle_beta 78.15957972
_cell_angle_gamma 73.05872918
_space_group_n... | data_image0
_chemical_formula_structural Li4OMn2Fe3O7MnO4
_chemical_formula_sum "Li4 O12 Mn3 Fe3"
_cell_length_a 5.133782
_cell_length_b 6.00692906
_cell_length_c 7.94440924
_cell_angle_alpha 78.7039096
_cell_angle_beta 78.15957972
_cell_angle_gamma 73.05872918
_space_gro... |
SwapAtomsAction | aa16ccdd-a687-4481-be6d-e65e43635a05 | mp-1210214 | 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 Na2Nb4Bi4O18
_chemical_formula_sum "Na2 Nb4 Bi4 O18"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2Nb3OBi4O8NbO9
_chemical_formula_sum "Na2 Nb4 O18 Bi4"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | cc19051b-bb1f-40f8-a926-78f621c653fb | mp-4584 | 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 Tl6B2O6
_chemical_formula_sum "Tl6 B2 O6"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 3.76205605
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural TlOTl4B2O4TlO
_chemical_formula_sum "Tl6 O6 B2"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 3.76205605
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt ... |
SwapAtomsAction | d8e25fe4-049d-4a0f-9668-991b82cd18a2 | mp-1105236 | Swap the spatial positions of atoms at indices 16 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural FeCu6Sn2S8
_chemical_formula_sum "Fe1 Cu6 Sn2 S8"
_cell_length_a 7.773067
_cell_length_b 7.773067
_cell_length_c 5.45241
_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 FeCu3SCu2Sn2S7Cu
_chemical_formula_sum "Fe1 Cu6 S8 Sn2"
_cell_length_a 7.773067
_cell_length_b 7.773067
_cell_length_c 5.45241
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SwapAtomsAction | 3ae047a1-3458-4d35-8033-b1af57524bf4 | mp-1096809 | 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 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 Al4SAl3Zn4S8AlS7
_chemical_formula_sum "Al8 S16 Zn4"
_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 | 56623ce5-0924-458b-b8ed-225f25bf022c | mp-6144 | Swap the spatial positions of atoms at indices 6 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2La2Ti3O10
_chemical_formula_sum "Na2 La2 Ti3 O10"
_cell_length_a 14.69641334
_cell_length_b 14.69641334
_cell_length_c 14.696413339999998
_cell_angle_alpha 164.86303529000003
_cell_angle_beta 164.86303529000003
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Na2La2Ti2O7TiO3
_chemical_formula_sum "Na2 La2 Ti3 O10"
_cell_length_a 14.69641334
_cell_length_b 14.69641334
_cell_length_c 14.696413339999998
_cell_angle_alpha 164.86303529000003
_cell_angle_beta 164.86303529000003
_cell_angle_gamma ... |
SwapAtomsAction | 97159cda-e6be-494d-8e1d-d9f991b04d74 | mp-755978 | 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 Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
_space_g... | data_image0
_chemical_formula_structural Ni3FNi2O2NiF9
_chemical_formula_sum "Ni6 F10 O2"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
_sp... |
SwapAtomsAction | 6c50b7e1-aa78-46d9-939c-b63febf9655b | mp-7152 | Swap the spatial positions of atoms at indices 10 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6
_chemical_formula_sum "Cs2 Zr2 Cu2 Se6"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural CsSeZr2Cu2Se4CsSe
_chemical_formula_sum "Cs2 Se6 Zr2 Cu2"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M_... |
SwapAtomsAction | c72e4030-f20d-43a0-81d4-79f2bb0a0f9b | mp-758323 | 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 Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... | data_image0
_chemical_formula_structural LiTiLiTi2CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_spac... |
SwapAtomsAction | af42e770-b7a8-4311-b4e5-54ebcb4804b2 | mp-30524 | Swap the spatial positions of atoms at indices 0 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti12O22
_chemical_formula_sum "Ti12 O22"
_cell_length_a 5.56435157
_cell_length_b 7.12801541
_cell_length_c 9.73572192
_cell_angle_alpha 89.90935394
_cell_angle_beta 100.53000427
_cell_angle_gamma 108.49487590999999
_space_group_na... | data_image0
_chemical_formula_structural OTi11O3TiO18
_chemical_formula_sum "O22 Ti12"
_cell_length_a 5.56435157
_cell_length_b 7.12801541
_cell_length_c 9.73572192
_cell_angle_alpha 89.90935394
_cell_angle_beta 100.53000427
_cell_angle_gamma 108.49487590999999
_space_gro... |
SwapAtomsAction | 9fc11129-e402-4412-a09b-2c70eb74215c | mp-11639 | Swap the spatial positions of atoms at indices 5 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... | data_image0
_chemical_formula_structural Rb4GeS6Ge
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_... |
SwapAtomsAction | 7ae5075e-a734-4d10-b001-f45734c5739f | mp-556333 | Swap the spatial positions of atoms at indices 11 and 32 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Zn2Cu6P6O24F2
_chemical_formula_sum "K4 Zn2 Cu6 P6 O24 F2"
_cell_length_a 14.36556291
_cell_length_b 4.87981883
_cell_length_c 7.87006132
_cell_angle_alpha 89.91131838999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural K4Zn2Cu5OP6O14CuO9F2
_chemical_formula_sum "K4 Zn2 Cu6 O24 P6 F2"
_cell_length_a 14.36556291
_cell_length_b 4.87981883
_cell_length_c 7.87006132
_cell_angle_alpha 89.91131838999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spac... |
SwapAtomsAction | 6d46decd-39c1-45a6-9ae9-2292a3a248c9 | mp-1037954 | Swap the spatial positions of atoms at indices 10 and 61 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural CsMg30AlO32
_chemical_formula_sum "Cs1 Mg30 Al1 O32"
_cell_length_a 8.649622
_cell_length_b 8.649622
_cell_length_c 8.662416
_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 CsMg9OMg20AlO29MgO2
_chemical_formula_sum "Cs1 Mg30 O32 Al1"
_cell_length_a 8.649622
_cell_length_b 8.649622
_cell_length_c 8.662416
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | adc54acf-ebf6-436a-9678-c4c589804cb7 | mp-1176288 | Swap the spatial positions of atoms at indices 3 and 30 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 11.335053
_cell_length_b 5.183895
_cell_length_c 5.21193958
_cell_angle_alpha 67.51091001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li3OLi5Mn2Co5O14LiO
_chemical_formula_sum "Li9 O16 Mn2 Co5"
_cell_length_a 11.335053
_cell_length_b 5.183895
_cell_length_c 5.21193958
_cell_angle_alpha 67.51091001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SwapAtomsAction | 806c74ef-e100-4517-9e94-a97cc65455d1 | mp-1208067 | Swap the spatial positions of atoms at indices 10 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm16Cd4Pd4
_chemical_formula_sum "Tm16 Cd4 Pd4"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_group_nam... | data_image0
_chemical_formula_structural Tm10CdTm6Cd3Pd4
_chemical_formula_sum "Tm16 Cd4 Pd4"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_grou... |
SwapAtomsAction | 66f2344f-92d0-4736-80a0-5b11adf32fda | mp-1205145 | Swap the spatial positions of atoms at indices 5 and 27 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_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 Na5SiNa2Ti4Si15NaH8O52
_chemical_formula_sum "Na8 Si16 Ti4 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SwapAtomsAction | 927cb05f-7597-49aa-888e-9d4e6bfcf863 | mp-1033461 | Swap the spatial positions of atoms at indices 6 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural BaMg6CrO8
_chemical_formula_sum "Ba1 Mg6 Cr1 O8"
_cell_length_a 8.75022402
_cell_length_b 4.70931995
_cell_length_c 4.70931995
_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 BaMg5OCrO5MgO2
_chemical_formula_sum "Ba1 Mg6 O8 Cr1"
_cell_length_a 8.75022402
_cell_length_b 4.70931995
_cell_length_c 4.70931995
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 384df9e7-2d7a-4b4f-9f32-8a4c0422865a | mp-1103256 | 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 Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Fe2SeFeSb4FeSe3
_chemical_formula_sum "Fe4 Se4 Sb4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | e16ee2dd-c391-4687-bada-061cd81162da | mp-1198143 | 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 Ca4B8H40O4
_chemical_formula_sum "Ca4 B8 H40 O4"
_cell_length_a 6.01929
_cell_length_b 8.052479
_cell_length_c 11.659561
_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 Ca4B2HB5HBH38O4
_chemical_formula_sum "Ca4 B8 H40 O4"
_cell_length_a 6.01929
_cell_length_b 8.052479
_cell_length_c 11.659561
_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 | be08969d-f405-4013-88a7-8d38ea6e6d5e | mp-758053 | Swap the spatial positions of atoms at indices 2 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nb2Cr2O8
_chemical_formula_sum "Nb2 Cr2 O8"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space_group... | data_image0
_chemical_formula_structural Nb2OCrO7Cr
_chemical_formula_sum "Nb2 O8 Cr2"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space_gro... |
SwapAtomsAction | e2786f18-d40f-438d-924c-5d11a145dcae | mp-1221055 | Swap the spatial positions of atoms at indices 6 and 38 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... | data_image0
_chemical_formula_structural NaMg2Al3OAl2VSi6B3H3O16AlO14
_chemical_formula_sum "Na1 Mg2 Al6 O31 V1 Si6 B3 H3"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma ... |
SwapAtomsAction | 6b59b2ec-7e47-4381-b9ae-529e32534307 | mp-23565 | 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 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 Cr4OBiO7AgO6
_chemical_formula_sum "Cr4 O14 Bi1 Ag1"
_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 111.62894981999... |
SwapAtomsAction | 9ef438f1-dfa7-4fed-aa6e-b823328d4279 | mp-1233440 | Swap the spatial positions of atoms at indices 28 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgGa4P6H6O18
_chemical_formula_sum "Mg1 Ga4 P6 H6 O18"
_cell_length_a 8.51019773
_cell_length_b 8.51019737
_cell_length_c 8.10157161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgGa4P4OPH6O11PO6
_chemical_formula_sum "Mg1 Ga4 P6 O18 H6"
_cell_length_a 8.51019773
_cell_length_b 8.51019737
_cell_length_c 8.10157161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_name... |
SwapAtomsAction | 789f1c86-795a-4e61-802f-c0edec617512 | mp-776448 | Swap the spatial positions of atoms at indices 7 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2Nb6N2O14
_chemical_formula_sum "Ba2 Nb6 N2 O14"
_cell_length_a 10.79420589
_cell_length_b 10.79420589
_cell_length_c 9.12912202
_cell_angle_alpha 89.50859623
_cell_angle_beta 89.50859623
_cell_angle_gamma 20.7547255
_space_group... | data_image0
_chemical_formula_structural Ba2Nb5ON2O6NbO7
_chemical_formula_sum "Ba2 Nb6 O14 N2"
_cell_length_a 10.79420589
_cell_length_b 10.79420589
_cell_length_c 9.12912202
_cell_angle_alpha 89.50859623
_cell_angle_beta 89.50859623
_cell_angle_gamma 20.7547255
_space_g... |
SwapAtomsAction | b13fa528-b0f3-4b89-abf7-9775c2979db4 | mp-850204 | 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 Li5Co2O2F5
_chemical_formula_sum "Li5 Co2 O2 F5"
_cell_length_a 14.62900426
_cell_length_b 14.629004259999999
_cell_length_c 14.629004259999999
_cell_angle_alpha 168.43291069000003
_cell_angle_beta 168.43291069
_cell_angle_gamma 16.... | data_image0
_chemical_formula_structural Li5Co2FOFOF3
_chemical_formula_sum "Li5 Co2 F5 O2"
_cell_length_a 14.62900426
_cell_length_b 14.629004259999999
_cell_length_c 14.629004259999999
_cell_angle_alpha 168.43291069000003
_cell_angle_beta 168.43291069
_cell_angle_gamma 1... |
SwapAtomsAction | ba355bad-210c-4a43-9329-bdfd1df6bd90 | mp-761075 | Swap the spatial positions of atoms at indices 41 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni4P16O44
_chemical_formula_sum "Ni4 P16 O44"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
_spac... | data_image0
_chemical_formula_structural NiONi2P16O21NiO22
_chemical_formula_sum "Ni4 O44 P16"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.9176644299999... |
SwapAtomsAction | 09a63418-db37-45b7-9a9e-9347e492f2d5 | mp-1221008 | Swap the spatial positions of atoms at indices 60 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd9Ni24Sn49
_chemical_formula_sum "Nd9 Ni24 Sn49"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
_space_grou... | data_image0
_chemical_formula_structural Nd9Ni5SnNi18Sn27NiSn21
_chemical_formula_sum "Nd9 Ni24 Sn49"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
... |
SwapAtomsAction | 3d916a95-2ef6-4b7a-8cb1-8a14f599ac62 | mp-1022621 | Swap the spatial positions of atoms at indices 6 and 13 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg12Zn2Cu2
_chemical_formula_sum "Mg12 Zn2 Cu2"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_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 Mg6ZnMg5ZnMgCu2
_chemical_formula_sum "Mg12 Zn2 Cu2"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_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 | 3a490446-9878-4562-8f17-4a7bf7e8730f | mp-1195048 | Swap the spatial positions of atoms at indices 17 and 22 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O30
_chemical_formula_sum "Na2 Ca2 Mn6 Si10 H2 O30"
_cell_length_a 6.88200997
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta 84.50278834
_cell_angle_gamma 94.318122... | data_image0
_chemical_formula_structural Na2Ca2Mn6Si7OSi2H2SiO29
_chemical_formula_sum "Na2 Ca2 Mn6 Si10 O30 H2"
_cell_length_a 6.88200997
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta 84.50278834
_cell_angle_gamma 94.3... |
SwapAtomsAction | 90282f69-9b96-4a03-9b83-91c9046d7d11 | mp-1520689 | 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 BaSrTi4O12
_chemical_formula_sum "Ba1 Sr1 Ti4 O12"
_cell_length_a 5.5757866
_cell_length_b 5.5757866
_cell_length_c 7.87964887
_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 BaSrTiOTi2O8TiO3
_chemical_formula_sum "Ba1 Sr1 Ti4 O12"
_cell_length_a 5.5757866
_cell_length_b 5.5757866
_cell_length_c 7.87964887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | c862dc3d-7ab3-4fb1-ac9f-ebc61e97b6a4 | mp-1208808 | Swap the spatial positions of atoms at indices 10 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Li2Te2O12
_chemical_formula_sum "Sr4 Li2 Te2 O12"
_cell_length_a 5.679665
_cell_length_b 5.67929352
_cell_length_c 8.070007170000002
_cell_angle_alpha 90.08535325
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural SrOSr2Li2Te2O2SrO9
_chemical_formula_sum "Sr4 O12 Li2 Te2"
_cell_length_a 5.679665
_cell_length_b 5.67929352
_cell_length_c 8.070007170000002
_cell_angle_alpha 90.08535325
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SwapAtomsAction | 435dcc21-d0a1-45ab-88ec-623a6ceb17b0 | mp-649415 | Swap the spatial positions of atoms at indices 26 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural K4Bi4N4Cl12O12
_chemical_formula_sum "K4 Bi4 N4 Cl12 O12"
_cell_length_a 8.531401
_cell_length_b 10.022379
_cell_length_c 10.45207687
_cell_angle_alpha 67.52483892000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural K3OBi4N4Cl12O2KO9
_chemical_formula_sum "K4 O12 Bi4 N4 Cl12"
_cell_length_a 8.531401
_cell_length_b 10.022379
_cell_length_c 10.45207687
_cell_angle_alpha 67.52483892000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SwapAtomsAction | 6d897037-91fe-4b81-9002-6ff6f3a2c168 | mp-540267 | Swap the spatial positions of atoms at indices 2 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural Cr2OP3O11PO2
_chemical_formula_sum "Cr2 O14 P4"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_gro... |
SwapAtomsAction | 3b72261c-2003-4f92-a523-e32e1e23fbd0 | mp-21322 | 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 V2Pb3O8
_chemical_formula_sum "V2 Pb3 O8"
_cell_length_a 7.54608979
_cell_length_b 7.546089790000001
_cell_length_c 7.54609002
_cell_angle_alpha 45.30973056999999
_cell_angle_beta 45.309730570000006
_cell_angle_gamma 45.309734139999... | data_image0
_chemical_formula_structural OVPb3O2VO5
_chemical_formula_sum "O8 V2 Pb3"
_cell_length_a 7.54608979
_cell_length_b 7.546089790000001
_cell_length_c 7.54609002
_cell_angle_alpha 45.30973056999999
_cell_angle_beta 45.309730570000006
_cell_angle_gamma 45.309734139... |
SwapAtomsAction | 8d2d64d6-c900-4cdf-8a94-ae89554eb8ca | mp-685444 | Swap the spatial positions of atoms at indices 65 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg11Fe30O56
_chemical_formula_sum "Mg11 Fe30 O56"
_cell_length_a 6.019515
_cell_length_b 6.024068190000001
_cell_length_c 34.58633018
_cell_angle_alpha 85.08342474
_cell_angle_beta 85.01700373
_cell_angle_gamma 60.03193310000001
_s... | data_image0
_chemical_formula_structural OMg10Fe30O24MgO31
_chemical_formula_sum "O56 Mg11 Fe30"
_cell_length_a 6.019515
_cell_length_b 6.024068190000001
_cell_length_c 34.58633018
_cell_angle_alpha 85.08342474
_cell_angle_beta 85.01700373
_cell_angle_gamma 60.031933100000... |
SwapAtomsAction | b7458909-c6f1-495f-b875-b09f9966c0c8 | mp-1182197 | Swap the spatial positions of atoms at indices 16 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4Mn4O12
_chemical_formula_sum "Nd4 Mn4 O12"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Nd4OMn3O8MnO3
_chemical_formula_sum "Nd4 O12 Mn4"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 6825e407-bc75-4df5-8cab-b18ac053ea63 | mp-1029037 | 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 MoW3Se2S6
_chemical_formula_sum "Mo1 W3 Se2 S6"
_cell_length_a 3.21988457
_cell_length_b 3.21988457
_cell_length_c 36.406804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001172
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SeW3SeMoS6
_chemical_formula_sum "Se2 W3 Mo1 S6"
_cell_length_a 3.21988457
_cell_length_b 3.21988457
_cell_length_c 36.406804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001172
_space_group_name_H-M_alt ... |
SwapAtomsAction | 53e64458-c98e-4a15-879e-3221bd992da6 | mp-1205276 | Swap the spatial positions of atoms at indices 18 and 39 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ru4N24Cl12O8
_chemical_formula_sum "Ru4 N24 Cl12 O8"
_cell_length_a 7.600382
_cell_length_b 11.419559
_cell_length_c 13.827968
_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 Ru4N14ClN9Cl11NO8
_chemical_formula_sum "Ru4 N24 Cl12 O8"
_cell_length_a 7.600382
_cell_length_b 11.419559
_cell_length_c 13.827968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | c7827d74-7d6f-47c8-9b47-26716fbc874a | mp-2218579 | Swap the spatial positions of atoms at indices 0 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na2MgCu4O6
_chemical_formula_sum "Na2 Mg1 Cu4 O6"
_cell_length_a 4.27997979
_cell_length_b 9.66600533
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural CuNaMgNaCu3O6
_chemical_formula_sum "Cu4 Na2 Mg1 O6"
_cell_length_a 4.27997979
_cell_length_b 9.66600533
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | 9a293f6b-2c41-4d51-90c5-31fca89fb5bf | mp-1037436 | Swap the spatial positions of atoms at indices 6 and 44 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural YMg30CdO32
_chemical_formula_sum "Y1 Mg30 Cd1 O32"
_cell_length_a 8.648656
_cell_length_b 8.648656
_cell_length_c 8.694971
_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 YMg5OMg24CdO12MgO19
_chemical_formula_sum "Y1 Mg30 O32 Cd1"
_cell_length_a 8.648656
_cell_length_b 8.648656
_cell_length_c 8.694971
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | f70af047-b896-47dd-a624-1dbd0d56771d | mp-567566 | Swap the spatial positions of atoms at indices 17 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ho7FeI12
_chemical_formula_sum "Ho7 Fe1 I12"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_space_gr... | data_image0
_chemical_formula_structural HoIHo5FeI9HoI2
_chemical_formula_sum "Ho7 I12 Fe1"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_sp... |
SwapAtomsAction | e7492bda-d05e-450a-a86e-4f65730fc07b | mp-540477 | 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 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 LiOMnP4O6LiO5
_chemical_formula_sum "Li2 O12 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 | 20e78f2a-55fe-4566-8686-eaec07c17bdd | mp-2459381 | 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 W2Br4O4
_chemical_formula_sum "W2 Br4 O4"
_cell_length_a 3.85105356
_cell_length_b 7.70105544
_cell_length_c 8.98355385
_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 W2Br3O2BrO2
_chemical_formula_sum "W2 Br4 O4"
_cell_length_a 3.85105356
_cell_length_b 7.70105544
_cell_length_c 8.98355385
_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 | 24160d50-0a39-4a4d-a5f4-a8114c5a3959 | mp-1182082 | 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 Ca2Al2O4F8
_chemical_formula_sum "Ca2 Al2 O4 F8"
_cell_length_a 4.977718
_cell_length_b 6.81246392
_cell_length_c 7.06145267
_cell_angle_alpha 97.85664077999999
_cell_angle_beta 93.78255747000001
_cell_angle_gamma 108.87985066999998... | data_image0
_chemical_formula_structural CaFAl2O4CaF7
_chemical_formula_sum "Ca2 F8 Al2 O4"
_cell_length_a 4.977718
_cell_length_b 6.81246392
_cell_length_c 7.06145267
_cell_angle_alpha 97.85664077999999
_cell_angle_beta 93.78255747000001
_cell_angle_gamma 108.879850669999... |
SwapAtomsAction | f2fea043-58aa-41b9-90db-475084df44c9 | mp-554704 | Swap the spatial positions of atoms at indices 1 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti4P4H4O20
_chemical_formula_sum "Ti4 P4 H4 O20"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural TiOTi2P4H4TiO19
_chemical_formula_sum "Ti4 O20 P4 H4"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SwapAtomsAction | 30ca9f7a-a7e6-436f-b732-534d39ae6c30 | mp-1247259 | Swap the spatial positions of atoms at indices 11 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca3NCa2Rh2N3CaN2
_chemical_formula_sum "Ca6 N6 Rh2"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H... |
SwapAtomsAction | db724f7e-87d5-451b-ab93-2857f678ccf7 | mp-1347506 | Swap the spatial positions of atoms at indices 17 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12
_chemical_formula_sum "Mg4 Cu2 Ir2 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg3OCu2Ir2O9MgO2
_chemical_formula_sum "Mg4 O12 Cu2 Ir2"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | bae1198d-cbbd-45d3-bd10-72f7a9e4fa3f | mp-778833 | Swap the spatial positions of atoms at indices 9 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co6O6F6
_chemical_formula_sum "Co6 O6 F6"
_cell_length_a 4.481577
_cell_length_b 4.508992
_cell_length_c 8.998599
_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... | data_image0
_chemical_formula_structural Co5O4CoO2F6
_chemical_formula_sum "Co6 O6 F6"
_cell_length_a 4.481577
_cell_length_b 4.508992
_cell_length_c 8.998599
_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... |
SwapAtomsAction | 6bf2681a-43f2-4f7e-bbc8-1ea21e229ac1 | mp-1045551 | Swap the spatial positions of atoms at indices 13 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2Fe4O8
_chemical_formula_sum "Mg2 Fe4 O8"
_cell_length_a 5.96618767
_cell_length_b 5.96618767
_cell_length_c 5.96618767
_cell_angle_alpha 118.66061098
_cell_angle_beta 118.46925667999999
_cell_angle_gamma 92.50419208000001
_space... | data_image0
_chemical_formula_structural Mg2OFe3O7Fe
_chemical_formula_sum "Mg2 O8 Fe4"
_cell_length_a 5.96618767
_cell_length_b 5.96618767
_cell_length_c 5.96618767
_cell_angle_alpha 118.66061098
_cell_angle_beta 118.46925667999999
_cell_angle_gamma 92.50419208000001
_sp... |
SwapAtomsAction | b79cff7a-b065-43b9-b655-7dd5bc389196 | mp-559052 | Swap the spatial positions of atoms at indices 22 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2Nb6Bi8O28
_chemical_formula_sum "Li2 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... | data_image0
_chemical_formula_structural Li2Nb2ONb3Bi8O6NbO21
_chemical_formula_sum "Li2 Nb6 O28 Bi8"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_spa... |
SwapAtomsAction | f4ca1386-4652-41d0-be28-cc3e967eb342 | mp-753615 | 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 Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural LiMnLiMnLiMnO4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_g... |
SwapAtomsAction | 2c97c899-37f9-4d94-91a0-6d501ad4e5d5 | mp-769018 | Swap the spatial positions of atoms at indices 42 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Fe3OFe4S12O18FeO29
_chemical_formula_sum "Li4 Fe8 O48 S12"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SwapAtomsAction | cd33e816-ca20-4412-aa76-972e4637b5c1 | mp-1212062 | 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 K8Dy4Cl20
_chemical_formula_sum "K8 Dy4 Cl20"
_cell_length_a 7.91673287
_cell_length_b 8.54467974
_cell_length_c 12.66536278
_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 K5ClK2Dy4ClKCl18
_chemical_formula_sum "K8 Cl20 Dy4"
_cell_length_a 7.91673287
_cell_length_b 8.54467974
_cell_length_c 12.66536278
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | e0a08e1c-96e3-44e4-b22f-97b4f8e34af0 | mp-2218660 | Swap the spatial positions of atoms at indices 9 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4MgBi2O6
_chemical_formula_sum "Na4 Mg1 Bi2 O6"
_cell_length_a 6.34905994
_cell_length_b 6.41998489
_cell_length_c 6.011830709999999
_cell_angle_alpha 82.04947734
_cell_angle_beta 99.38249075
_cell_angle_gamma 59.92394204000001
_... | data_image0
_chemical_formula_structural Na4MgOBiO2BiO3
_chemical_formula_sum "Na4 Mg1 O6 Bi2"
_cell_length_a 6.34905994
_cell_length_b 6.41998489
_cell_length_c 6.011830709999999
_cell_angle_alpha 82.04947734
_cell_angle_beta 99.38249075
_cell_angle_gamma 59.9239420400000... |
SwapAtomsAction | 222164dc-2757-4cfd-8e30-b94f2f84f3b9 | mp-758762 | Swap the spatial positions of atoms at indices 16 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe4P8O28
_chemical_formula_sum "Li4 Fe4 P8 O28"
_cell_length_a 8.064649
_cell_length_b 4.948896
_cell_length_c 14.20387287
_cell_angle_alpha 79.33603324
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural OLi3Fe4P8LiO27
_chemical_formula_sum "O28 Li4 Fe4 P8"
_cell_length_a 8.064649
_cell_length_b 4.948896
_cell_length_c 14.20387287
_cell_angle_alpha 79.33603324
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | a3a8e929-8b2b-485a-a4ba-df26cdc0c889 | mp-1304017 | Swap the spatial positions of atoms at indices 19 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Mn6Co2O16
_chemical_formula_sum "Li4 Mn6 Co2 O16"
_cell_length_a 5.82743684
_cell_length_b 8.45367559
_cell_length_c 5.830694329999999
_cell_angle_alpha 90.00683183
_cell_angle_beta 89.99829138999999
_cell_angle_gamma 90.31659584... | data_image0
_chemical_formula_structural LiOLi2Mn6Co2O7LiO8
_chemical_formula_sum "Li4 O16 Mn6 Co2"
_cell_length_a 5.82743684
_cell_length_b 8.45367559
_cell_length_c 5.830694329999999
_cell_angle_alpha 90.00683183
_cell_angle_beta 89.99829138999999
_cell_angle_gamma 90.31... |
SwapAtomsAction | 85c9e4e1-d743-47d8-8e29-58c67e71c7c9 | mp-1224634 | Swap the spatial positions of atoms at indices 13 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural In9Ga3Bi4S24
_chemical_formula_sum "In9 Ga3 Bi4 S24"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural In9Ga3BiSBi2S4BiS19
_chemical_formula_sum "In9 Ga3 Bi4 S24"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SwapAtomsAction | d28a3ed5-c69a-4e29-a6f7-b0852a2783d9 | mp-541971 | Swap the spatial positions of atoms at indices 15 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tm2Ni12P7
_chemical_formula_sum "Tm2 Ni12 P7"
_cell_length_a 8.95021444
_cell_length_b 8.95019988
_cell_length_c 3.6448585100000006
_cell_angle_alpha 89.99999178
_cell_angle_beta 90.00000702
_cell_angle_gamma 119.99714150999999
_sp... | data_image0
_chemical_formula_structural Tm2Ni3PNi8PNiP5
_chemical_formula_sum "Tm2 Ni12 P7"
_cell_length_a 8.95021444
_cell_length_b 8.95019988
_cell_length_c 3.6448585100000006
_cell_angle_alpha 89.99999178
_cell_angle_beta 90.00000702
_cell_angle_gamma 119.9971415099999... |
SwapAtomsAction | 4d335365-d435-40ee-803b-b0235cf5c07b | mp-1247520 | Swap the spatial positions of atoms at indices 14 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca6Re4N8
_chemical_formula_sum "Ca6 Re4 N8"
_cell_length_a 7.07157795
_cell_length_b 9.1900106
_cell_length_c 5.36736206
_cell_angle_alpha 90.00000385
_cell_angle_beta 93.61192825000002
_cell_angle_gamma 130.52539222
_space_group_n... | data_image0
_chemical_formula_structural Ca6Re3N5ReN3
_chemical_formula_sum "Ca6 Re4 N8"
_cell_length_a 7.07157795
_cell_length_b 9.1900106
_cell_length_c 5.36736206
_cell_angle_alpha 90.00000385
_cell_angle_beta 93.61192825000002
_cell_angle_gamma 130.52539222
_space_gro... |
SwapAtomsAction | 2a6a86b9-dc6c-4b3b-b759-af6c029135a7 | mp-1172905 | 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 Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural BiAg3Bi2S6
_chemical_formula_sum "Bi3 Ag3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 4646a283-28dd-4d5b-b513-5abb2d5a1ce2 | mp-772276 | Swap the spatial positions of atoms at indices 14 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr4P4O20
_chemical_formula_sum "Cr4 P4 O20"
_cell_length_a 5.180952
_cell_length_b 8.38677856
_cell_length_c 9.309508530000002
_cell_angle_alpha 102.25086210999999
_cell_angle_beta 104.36657557999999
_cell_angle_gamma 91.41059046
_... | data_image0
_chemical_formula_structural Cr2OCrP4O6CrO13
_chemical_formula_sum "Cr4 O20 P4"
_cell_length_a 5.180952
_cell_length_b 8.38677856
_cell_length_c 9.309508530000002
_cell_angle_alpha 102.25086210999999
_cell_angle_beta 104.36657557999999
_cell_angle_gamma 91.4105... |
SwapAtomsAction | f87d7bbc-0964-4197-8aa0-2c4199ec78a1 | mp-28092 | Swap the spatial positions of atoms at indices 24 and 71 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B24HB15H31BH20O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_gr... |
SwapAtomsAction | 45fe384f-37d8-47dc-af84-1428bf5efb12 | mp-1519716 | Swap the spatial positions of atoms at indices 4 and 34 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pr4Mg4Bi8O24
_chemical_formula_sum "Pr4 Mg4 Bi8 O24"
_cell_length_a 8.43650062
_cell_length_b 8.43650062
_cell_length_c 8.43650062
_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 Pr4OMg3Bi8O18MgO5
_chemical_formula_sum "Pr4 O24 Mg4 Bi8"
_cell_length_a 8.43650062
_cell_length_b 8.43650062
_cell_length_c 8.43650062
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 3d891ed4-b10e-4168-b8b1-2f965ac9a5c2 | mp-1197452 | Swap the spatial positions of atoms at indices 13 and 33 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni4P4C20O8
_chemical_formula_sum "Ni4 P4 C20 O8"
_cell_length_a 7.12980752
_cell_length_b 10.5379638
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.76935544
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ni4P4C5OC14O5CO2
_chemical_formula_sum "Ni4 P4 C20 O8"
_cell_length_a 7.12980752
_cell_length_b 10.5379638
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.76935544
_space_group_name_H-M_al... |
SwapAtomsAction | ab81206f-56bf-4048-80b1-95bed4df3a48 | mp-1227514 | Swap the spatial positions of atoms at indices 9 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ca4Ga4GeO6GeO8
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SwapAtomsAction | 71e0e925-3d98-45cd-8211-bddab82e7e16 | mp-17461 | Swap the spatial positions of atoms at indices 31 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Ti4P8O28
_chemical_formula_sum "Na4 Ti4 P8 O28"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Na4TiOTi2P8O15TiO12
_chemical_formula_sum "Na4 Ti4 O28 P8"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SwapAtomsAction | 4ac02947-8cef-474b-a106-6376f8ee4308 | mp-1179245 | Swap the spatial positions of atoms at indices 33 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... | data_image0
_chemical_formula_structural V6H8OH3O15HO4
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_grou... |
SwapAtomsAction | 7d2ccf9c-23b1-493c-b77f-210a49009213 | mp-1397105 | Swap the spatial positions of atoms at indices 13 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb2Nb6Cu2Cl18
_chemical_formula_sum "Rb2 Nb6 Cu2 Cl18"
_cell_length_a 9.455724
_cell_length_b 9.47075796
_cell_length_c 9.47459431
_cell_angle_alpha 119.70891577000002
_cell_angle_beta 105.57744098
_cell_angle_gamma 95.73010008
_sp... | data_image0
_chemical_formula_structural Rb2Nb5ClCu2Cl3NbCl14
_chemical_formula_sum "Rb2 Nb6 Cl18 Cu2"
_cell_length_a 9.455724
_cell_length_b 9.47075796
_cell_length_c 9.47459431
_cell_angle_alpha 119.70891577000002
_cell_angle_beta 105.57744098
_cell_angle_gamma 95.730100... |
SwapAtomsAction | bc4769e0-80d3-4108-9128-d94cb9af3c96 | mp-1199467 | Swap the spatial positions of atoms at indices 2 and 31 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu20Ge16
_chemical_formula_sum "Lu20 Ge16"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_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 Lu2GeLu17Ge11LuGe4
_chemical_formula_sum "Lu20 Ge16"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 1c1ab17e-bd27-44b1-ba21-504494cc77fe | mp-569786 | Swap the spatial positions of atoms at indices 10 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Er8Pb4Se16
_chemical_formula_sum "Er8 Pb4 Se16"
_cell_length_a 4.112409
_cell_length_b 12.567483
_cell_length_c 14.943412
_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 Er8Pb2SePbSe2PbSe13
_chemical_formula_sum "Er8 Pb4 Se16"
_cell_length_a 4.112409
_cell_length_b 12.567483
_cell_length_c 14.943412
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
SwapAtomsAction | 3f429742-47da-4cea-ac69-393a52f01dde | mp-1197733 | 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 Mg4S8O36
_chemical_formula_sum "Mg4 S8 O36"
_cell_length_a 6.761775
_cell_length_b 8.274607
_cell_length_c 12.573329
_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 Mg3OS8O3MgO32
_chemical_formula_sum "Mg4 O36 S8"
_cell_length_a 6.761775
_cell_length_b 8.274607
_cell_length_c 12.573329
_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 | 4019c154-79ac-4116-b325-62c7485db75e | mp-736227 | Swap the spatial positions of atoms at indices 29 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural C16N16
_chemical_formula_sum "C16 N16"
_cell_length_a 4.429825
_cell_length_b 9.562066
_cell_length_c 18.58444721
_cell_angle_alpha 75.86542616
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural C14NCN13CN2
_chemical_formula_sum "C16 N16"
_cell_length_a 4.429825
_cell_length_b 9.562066
_cell_length_c 18.58444721
_cell_angle_alpha 75.86542616
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
SwapAtomsAction | 3772baf3-9d40-4966-aa00-91442f997bfa | mp-1049235 | Swap the spatial positions of atoms at indices 18 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La2Ta2Zn2Cr2O12
_chemical_formula_sum "La2 Ta2 Zn2 Cr2 O12"
_cell_length_a 5.725048
_cell_length_b 5.422845
_cell_length_c 10.00285536
_cell_angle_alpha 58.01628817999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural La2TaOZn2Cr2O10TaO
_chemical_formula_sum "La2 Ta2 O12 Zn2 Cr2"
_cell_length_a 5.725048
_cell_length_b 5.422845
_cell_length_c 10.00285536
_cell_angle_alpha 58.01628817999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SwapAtomsAction | 2c2c4499-ad3d-43ba-8f2a-dbcea888464a | mp-1177049 | 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 Li6Co3NiP6O24
_chemical_formula_sum "Li6 Co3 Ni1 P6 O24"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_space_gr... | data_image0
_chemical_formula_structural Li2PLi3Co3NiP2LiP3O24
_chemical_formula_sum "Li6 P6 Co3 Ni1 O24"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_... |
SwapAtomsAction | 17472a0b-c4b3-462a-994d-6ffbb047c4ea | mp-2715503 | Swap the spatial positions of atoms at indices 72 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na5ONa6Sc4Si4Ge4P8O40NaO7
_chemical_formula_sum "Na12 O48 Sc4 Si4 Ge4 P8"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.... |
SwapAtomsAction | fa4506e0-7ca8-4362-8e79-ecc15b9a7904 | mp-12885 | 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 BaAl2Sb2O7
_chemical_formula_sum "Ba1 Al2 Sb2 O7"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098976999998
_cell_angle_gamma 36.6309... | data_image0
_chemical_formula_structural BaAlOSb2O3AlO3
_chemical_formula_sum "Ba1 Al2 O7 Sb2"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098976999998
_cell_angle_gamma 36.... |
SwapAtomsAction | f05af13d-8d1a-4d93-95e9-f9a97860007f | mp-540706 | Swap the spatial positions of atoms at indices 32 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na4Nb8O22
_chemical_formula_sum "Na4 Nb8 O22"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.20927979
_s... | data_image0
_chemical_formula_structural ONa3Nb8O20NaO
_chemical_formula_sum "O22 Na4 Nb8"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.20927979... |
SwapAtomsAction | 0783d5a5-d277-4f36-abed-493497c92f5f | mp-1588 | Swap the spatial positions of atoms at indices 5 and 34 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural C22F14
_chemical_formula_sum "C22 F14"
_cell_length_a 6.13417845
_cell_length_b 6.134178450000001
_cell_length_c 13.79451585
_cell_angle_alpha 85.79723518
_cell_angle_beta 85.79723518
_cell_angle_gamma 82.00049108
_space_group_name... | data_image0
_chemical_formula_structural C5FC16F12CF
_chemical_formula_sum "C22 F14"
_cell_length_a 6.13417845
_cell_length_b 6.134178450000001
_cell_length_c 13.79451585
_cell_angle_alpha 85.79723518
_cell_angle_beta 85.79723518
_cell_angle_gamma 82.00049108
_space_group... |
SwapAtomsAction | 0d5dcbfa-0915-45ca-bcf6-963aac943784 | mp-1219046 | 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 Sn4Sb2S4I6
_chemical_formula_sum "Sn4 Sb2 S4 I6"
_cell_length_a 7.7761768
_cell_length_b 7.7761768
_cell_length_c 17.461303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.68845972000003
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Sn4Sb2IS4I5
_chemical_formula_sum "Sn4 Sb2 I6 S4"
_cell_length_a 7.7761768
_cell_length_b 7.7761768
_cell_length_c 17.461303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.68845972000003
_space_group_name_H-M_al... |
SwapAtomsAction | d7738b9d-6371-4551-ab45-a4ce272357ec | mp-1177331 | Swap the spatial positions of atoms at indices 3 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4MnCrO6
_chemical_formula_sum "Li4 Mn1 Cr1 O6"
_cell_length_a 5.00452286
_cell_length_b 5.00451943
_cell_length_c 5.11410777
_cell_angle_alpha 99.90005629
_cell_angle_beta 99.8991431
_cell_angle_gamma 119.41151240999999
_space_gr... | data_image0
_chemical_formula_structural Li3CrMnLiO6
_chemical_formula_sum "Li4 Cr1 Mn1 O6"
_cell_length_a 5.00452286
_cell_length_b 5.00451943
_cell_length_c 5.11410777
_cell_angle_alpha 99.90005629
_cell_angle_beta 99.8991431
_cell_angle_gamma 119.41151240999999
_space_... |
SwapAtomsAction | 853d0402-23a3-437f-9619-8dce6ec26c69 | mp-1028157 | Swap the spatial positions of atoms at indices 13 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg13CuMnMg
_chemical_formula_sum "Mg14 Cu1 Mn1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt ... |
SwapAtomsAction | 430e3626-08db-4157-84b7-6c6be69ff277 | mp-556659 | Swap the spatial positions of atoms at indices 36 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La12Ti4Cl20O16
_chemical_formula_sum "La12 Ti4 Cl20 O16"
_cell_length_a 4.082481
_cell_length_b 14.804852
_cell_length_c 16.954473
_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 La12Ti4ClOCl19O15
_chemical_formula_sum "La12 Ti4 Cl20 O16"
_cell_length_a 4.082481
_cell_length_b 14.804852
_cell_length_c 16.954473
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 32dc7478-ff77-4f04-bd7c-2fe59ebc7812 | mp-1245478 | Swap the spatial positions of atoms at indices 7 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr4Fe8N12
_chemical_formula_sum "Cr4 Fe8 N12"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group_name_... | data_image0
_chemical_formula_structural Cr4Fe3NFe5N11
_chemical_formula_sum "Cr4 Fe8 N12"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group_n... |
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