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 | 3b688012-d850-4bbb-89d9-f7479c199192 | mp-1218673 | Swap the spatial positions of atoms at indices 1 and 16 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4Zn51
_chemical_formula_sum "Sr4 Zn51"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 33.9046... | data_image0
_chemical_formula_structural SrZnSr2Zn12SrZn38
_chemical_formula_sum "Sr4 Zn51"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma ... |
SwapAtomsAction | 22400314-8edd-4472-bd21-25b6a38fee83 | mp-557900 | Swap the spatial positions of atoms at indices 28 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Sb4C4S4Cl7F9ClF27
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SwapAtomsAction | d1ac393b-e7df-4618-a4fc-0021090336b2 | mp-510041 | Swap the spatial positions of atoms at indices 6 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Hf8Ni8Sn4
_chemical_formula_sum "Hf8 Ni8 Sn4"
_cell_length_a 7.068831
_cell_length_b 7.068831
_cell_length_c 6.786952
_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 Hf6NiHfNi6HfNiSn4
_chemical_formula_sum "Hf8 Ni8 Sn4"
_cell_length_a 7.068831
_cell_length_b 7.068831
_cell_length_c 6.786952
_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 | f8194fba-1a8b-42ac-beb1-7cfccd634da5 | mp-1043418 | Swap the spatial positions of atoms at indices 9 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Co8O12
_chemical_formula_sum "Co8 O12"
_cell_length_a 5.15061024
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Co2OCo5OCoO10
_chemical_formula_sum "Co8 O12"
_cell_length_a 5.15061024
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt ... |
SwapAtomsAction | 6a540d33-af1f-4781-9f29-1f89ee6d9fb7 | mp-2217675 | 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 MgMn2Al2O6
_chemical_formula_sum "Mg1 Mn2 Al2 O6"
_cell_length_a 4.99243128
_cell_length_b 5.73153045
_cell_length_c 5.54050531
_cell_angle_alpha 69.57045259
_cell_angle_beta 115.15394843
_cell_angle_gamma 112.72876431000002
_space... | data_image0
_chemical_formula_structural OMn2Al2O4MgO
_chemical_formula_sum "O6 Mn2 Al2 Mg1"
_cell_length_a 4.99243128
_cell_length_b 5.73153045
_cell_length_c 5.54050531
_cell_angle_alpha 69.57045259
_cell_angle_beta 115.15394843
_cell_angle_gamma 112.72876431000002
_spa... |
SwapAtomsAction | 24f08fb4-20c0-4d32-acb6-039ad1879374 | mp-1190964 | Swap the spatial positions of atoms at indices 3 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te5Pd20
_chemical_formula_sum "Te5 Pd20"
_cell_length_a 8.84438838
_cell_length_b 8.84438838
_cell_length_c 8.84438838
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Te3PdTePd18TePd
_chemical_formula_sum "Te5 Pd20"
_cell_length_a 8.84438838
_cell_length_b 8.84438838
_cell_length_c 8.84438838
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
SwapAtomsAction | e518b41c-e82e-472e-bbc2-41baac6d115f | mp-754936 | 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 Dy2Al2O6
_chemical_formula_sum "Dy2 Al2 O6"
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_space_group_name_H-... | data_image0
_chemical_formula_structural ODyAl2DyO5
_chemical_formula_sum "O6 Dy2 Al2"
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_space_group_name_... |
SwapAtomsAction | 32c9be92-b536-4201-ba8a-c014082fe8b0 | mp-531064 | Swap the spatial positions of atoms at indices 15 and 34 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 K8Mo7BrMo16Br2MoBr53
_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 "... |
SwapAtomsAction | bc7ef03d-17e4-4bfd-bee4-e3e27ca22323 | mp-542012 | Swap the spatial positions of atoms at indices 13 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Rb8Hf6S28
_chemical_formula_sum "Rb8 Hf6 S28"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... | data_image0
_chemical_formula_structural Rb8Hf5S13HfS15
_chemical_formula_sum "Rb8 Hf6 S28"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma ... |
SwapAtomsAction | 83be175e-f604-4f15-8fb2-86c252d10d1d | mp-1224058 | 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 Ho6S2O2F10
_chemical_formula_sum "Ho6 S2 O2 F10"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural HoFHo4S2O2F2HoF7
_chemical_formula_sum "Ho6 F10 S2 O2"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SwapAtomsAction | d75ab914-f1ec-4b7b-ba62-7ccb686bd5b7 | mp-686618 | Swap the spatial positions of atoms at indices 16 and 46 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural YAl6Si30N45O3
_chemical_formula_sum "Y1 Al6 Si30 N45 O3"
_cell_length_a 7.867781
_cell_length_b 7.88304542
_cell_length_c 17.12646181
_cell_angle_alpha 90.28235966
_cell_angle_beta 89.9019146
_cell_angle_gamma 119.55043271
_space_g... | data_image0
_chemical_formula_structural YAl6Si9NSi20N9SiN35O3
_chemical_formula_sum "Y1 Al6 Si30 N45 O3"
_cell_length_a 7.867781
_cell_length_b 7.88304542
_cell_length_c 17.12646181
_cell_angle_alpha 90.28235966
_cell_angle_beta 89.9019146
_cell_angle_gamma 119.55043271
... |
SwapAtomsAction | e26d0fd8-abe6-4892-965c-7f3d3917f56c | mp-1347506 | Swap the spatial positions of atoms at indices 7 and 13 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 Mg4Cu2IrO6IrO6
_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 ... |
SwapAtomsAction | 4bb5426a-8523-4f4b-b3fb-c22e9da6805f | mp-1523289 | Swap the spatial positions of atoms at indices 12 and 2 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 BaCaOSn3O6SnO5
_chemical_formula_sum "Ba1 Ca1 O12 Sn4"
_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_gro... |
SwapAtomsAction | 153b77c0-bbc3-4ce1-94f8-8e3c2dedc155 | mp-2647063 | Swap the spatial positions of atoms at indices 11 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 6.02991438
_cell_length_b 10.484943
_cell_length_c 6.698872009999999
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural ClRu3Cl7RuCl4
_chemical_formula_sum "Cl12 Ru4"
_cell_length_a 6.02991438
_cell_length_b 10.484943
_cell_length_c 6.698872009999999
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
_cell_angle_gamma 90.0
_space_group_name_... |
SwapAtomsAction | 3d020b15-9e63-4389-8e70-f14738a66f7f | mp-1207461 | Swap the spatial positions of atoms at indices 11 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr12P2I28
_chemical_formula_sum "Zr12 P2 I28"
_cell_length_a 10.9834047
_cell_length_b 10.98340538
_cell_length_c 13.261243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 95.13368863
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zr11IP2I3ZrI24
_chemical_formula_sum "Zr12 I28 P2"
_cell_length_a 10.9834047
_cell_length_b 10.98340538
_cell_length_c 13.261243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 95.13368863
_space_group_name_H-M_alt ... |
SwapAtomsAction | ca34a52b-d754-4160-8767-947332f91ca9 | mp-1210254 | Swap the spatial positions of atoms at indices 21 and 19 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ni4O16F8
_chemical_formula_sum "Ni4 O16 F8"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_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 Ni4O15F2OF6
_chemical_formula_sum "Ni4 O16 F8"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_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 | 435130c3-50d5-419d-a6d8-af6ff28d379a | mp-30464 | Swap the spatial positions of atoms at indices 7 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Bi4Pd10
_chemical_formula_sum "Bi4 Pd10"
_cell_length_a 5.86907876
_cell_length_b 6.80214419
_cell_length_c 7.72867934
_cell_angle_alpha 115.12698734
_cell_angle_beta 112.27544877999999
_cell_angle_gamma 89.99573514
_space_group_na... | data_image0
_chemical_formula_structural BiPdBi2Pd3BiPd6
_chemical_formula_sum "Bi4 Pd10"
_cell_length_a 5.86907876
_cell_length_b 6.80214419
_cell_length_c 7.72867934
_cell_angle_alpha 115.12698734
_cell_angle_beta 112.27544877999999
_cell_angle_gamma 89.99573514
_space_... |
SwapAtomsAction | 6b65646d-e3d9-4eab-af6d-0ff4419c6899 | mp-1205615 | Swap the spatial positions of atoms at indices 5 and 2 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural La4Co4I2
_chemical_formula_sum "La4 Co4 I2"
_cell_length_a 4.03631804
_cell_length_b 4.03631804
_cell_length_c 17.93186934
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2CoLaCoLaCo2I2
_chemical_formula_sum "La4 Co4 I2"
_cell_length_a 4.03631804
_cell_length_b 4.03631804
_cell_length_c 17.93186934
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604999998
_space_group_name_... |
SwapAtomsAction | 6238ffa9-1927-48f6-af40-d2dc81d6e05e | mp-1048316 | Swap the spatial positions of atoms at indices 6 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba2YCo3O7
_chemical_formula_sum "Ba2 Y1 Co3 O7"
_cell_length_a 3.899804
_cell_length_b 3.990514
_cell_length_c 11.59648
_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 BaOYCo3BaO6
_chemical_formula_sum "Ba2 O7 Y1 Co3"
_cell_length_a 3.899804
_cell_length_b 3.990514
_cell_length_c 11.59648
_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 | d8065614-7754-46ce-b869-099c57e74801 | mp-1247511 | Swap the spatial positions of atoms at indices 12 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Na12W4N8
_chemical_formula_sum "Na12 W4 N8"
_cell_length_a 13.21816615
_cell_length_b 6.467537
_cell_length_c 24.80366161
_cell_angle_alpha 89.99999754
_cell_angle_beta 159.75828686000003
_cell_angle_gamma 104.1609021
_space_group_... | data_image0
_chemical_formula_structural Na10WNa2W3N8
_chemical_formula_sum "Na12 W4 N8"
_cell_length_a 13.21816615
_cell_length_b 6.467537
_cell_length_c 24.80366161
_cell_angle_alpha 89.99999754
_cell_angle_beta 159.75828686000003
_cell_angle_gamma 104.1609021
_space_gr... |
SwapAtomsAction | c0309cda-c199-40ca-aaf2-3e53a2c8d5f8 | mp-1235910 | 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 LiMn6O4F8
_chemical_formula_sum "Li1 Mn6 O4 F8"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.24166634000001... | data_image0
_chemical_formula_structural LiMn3FMn2O4F3MnF4
_chemical_formula_sum "Li1 Mn6 F8 O4"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.241666... |
SwapAtomsAction | 3cfdb5e6-1bba-4c91-9d3d-b1cb34b45570 | mp-532413 | Swap the spatial positions of atoms at indices 3 and 93 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li20B28S52
_chemical_formula_sum "Li20 B28 S52"
_cell_length_a 14.00007587
_cell_length_b 14.00007587
_cell_length_c 12.32493186
_cell_angle_alpha 63.92220882000001
_cell_angle_beta 63.92220882000001
_cell_angle_gamma 103.0203757
_... | data_image0
_chemical_formula_structural Li3SLi16B28S45LiS6
_chemical_formula_sum "Li20 S52 B28"
_cell_length_a 14.00007587
_cell_length_b 14.00007587
_cell_length_c 12.32493186
_cell_angle_alpha 63.92220882000001
_cell_angle_beta 63.92220882000001
_cell_angle_gamma 103.02... |
SwapAtomsAction | 404a9fba-0581-42c0-95f8-4f45b49f29f6 | mp-769628 | 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 Li8V6Cr2O16
_chemical_formula_sum "Li8 V6 Cr2 O16"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma 73.14... | data_image0
_chemical_formula_structural Li5OLi2V6Cr2O2LiO13
_chemical_formula_sum "Li8 O16 V6 Cr2"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma ... |
SwapAtomsAction | 1141f0a7-24c5-4fba-8aba-bde400307e24 | mp-1041645 | 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 Al2Sb2W4O16
_chemical_formula_sum "Al2 Sb2 W4 O16"
_cell_length_a 5.627521
_cell_length_b 5.198103
_cell_length_c 10.68662032
_cell_angle_alpha 60.811312539999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Al2OSbW4O2SbO13
_chemical_formula_sum "Al2 O16 Sb2 W4"
_cell_length_a 5.627521
_cell_length_b 5.198103
_cell_length_c 10.68662032
_cell_angle_alpha 60.811312539999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | 5eda4dcc-c1f7-42c0-8a14-08ce2de821ff | mp-1032153 | Swap the spatial positions of atoms at indices 6 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg6CoCuO8
_chemical_formula_sum "Mg6 Co1 Cu1 O8"
_cell_length_a 8.61077705
_cell_length_b 4.20526714
_cell_length_c 4.20526714
_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 Mg6OCuO3CoO4
_chemical_formula_sum "Mg6 O8 Cu1 Co1"
_cell_length_a 8.61077705
_cell_length_b 4.20526714
_cell_length_c 4.20526714
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SwapAtomsAction | e602bf20-45e0-4896-9df6-06d2dc552d0b | mp-1235662 | 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 LiY2Fe4O8
_chemical_formula_sum "Li1 Y2 Fe4 O8"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_group_nam... | data_image0
_chemical_formula_structural LiOYFe4O5YO2
_chemical_formula_sum "Li1 O8 Y2 Fe4"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_group_... |
SwapAtomsAction | 7208d5fa-f91e-45ef-b59f-f3dc0bda9e81 | mp-1215797 | Swap the spatial positions of atoms at indices 12 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn2Cu10Sb4S13
_chemical_formula_sum "Zn2 Cu10 Sb4 S13"
_cell_length_a 9.03952655
_cell_length_b 9.03952655
_cell_length_c 9.03952655
_cell_angle_alpha 109.77039132999998
_cell_angle_beta 109.77039133
_cell_angle_gamma 108.8745219899... | data_image0
_chemical_formula_structural Zn2Cu10SSb3S8SbS4
_chemical_formula_sum "Zn2 Cu10 S13 Sb4"
_cell_length_a 9.03952655
_cell_length_b 9.03952655
_cell_length_c 9.03952655
_cell_angle_alpha 109.77039132999998
_cell_angle_beta 109.77039133
_cell_angle_gamma 108.874521... |
SwapAtomsAction | ac3114e7-0eb3-4316-af2c-64d8e4d09f08 | mp-1193732 | Swap the spatial positions of atoms at indices 24 and 11 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12
_chemical_formula_sum "Te4 Pd2 Pb4 Cl4 O12"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te4Pd2Pb4ClOCl2O10ClO
_chemical_formula_sum "Te4 Pd2 Pb4 Cl4 O12"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SwapAtomsAction | 502aa774-fa35-4b05-b7f5-62fb4aa723e7 | mp-7593 | 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 Rb4Li4F8
_chemical_formula_sum "Rb4 Li4 F8"
_cell_length_a 6.24092878
_cell_length_b 6.24092878
_cell_length_c 7.78676897
_cell_angle_alpha 87.14777964999999
_cell_angle_beta 87.14777964999999
_cell_angle_gamma 124.97890619999998
_... | data_image0
_chemical_formula_structural RbFRb2Li4F4RbF3
_chemical_formula_sum "Rb4 F8 Li4"
_cell_length_a 6.24092878
_cell_length_b 6.24092878
_cell_length_c 7.78676897
_cell_angle_alpha 87.14777964999999
_cell_angle_beta 87.14777964999999
_cell_angle_gamma 124.9789061999... |
SwapAtomsAction | d1f7b687-0531-45a5-902c-edc6f20af1ae | mp-26088 | Swap the spatial positions of atoms at indices 32 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Co8P12O48
_chemical_formula_sum "Li4 Co8 P12 O48"
_cell_length_a 8.675564
_cell_length_b 8.589091
_cell_length_c 12.099115949999998
_cell_angle_alpha 89.42846360999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Li4Co8P2OP9O8PO39
_chemical_formula_sum "Li4 Co8 P12 O48"
_cell_length_a 8.675564
_cell_length_b 8.589091
_cell_length_c 12.099115949999998
_cell_angle_alpha 89.42846360999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SwapAtomsAction | 2366fe9d-c477-46fc-94f3-0383771b6a0b | mp-978968 | Swap the spatial positions of atoms at indices 6 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... | data_image0
_chemical_formula_structural Ti5OTiO3
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_gr... |
SwapAtomsAction | 2c1eee58-9862-4094-bad6-06e1444576fd | mp-1181318 | Swap the spatial positions of atoms at indices 3 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ga2P2N2O10
_chemical_formula_sum "Ga2 P2 N2 O10"
_cell_length_a 6.418705
_cell_length_b 4.608994
_cell_length_c 8.139439520000002
_cell_angle_alpha 83.58272771999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ga2PON2OPO8
_chemical_formula_sum "Ga2 P2 O10 N2"
_cell_length_a 6.418705
_cell_length_b 4.608994
_cell_length_c 8.139439520000002
_cell_angle_alpha 83.58272771999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | 5fca718f-2f9f-4b35-a2ac-d11d2293a156 | mp-557662 | Swap the spatial positions of atoms at indices 5 and 25 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ca2Mg5Si8O22F2
_chemical_formula_sum "Ca2 Mg5 Si8 O22 F2"
_cell_length_a 10.37304326
_cell_length_b 10.373043260000001
_cell_length_c 5.32796317
_cell_angle_alpha 83.13018931
_cell_angle_beta 83.13018931
_cell_angle_gamma 122.768936... | data_image0
_chemical_formula_structural Ca2Mg3OMgSi8O10MgO11F2
_chemical_formula_sum "Ca2 Mg5 O22 Si8 F2"
_cell_length_a 10.37304326
_cell_length_b 10.373043260000001
_cell_length_c 5.32796317
_cell_angle_alpha 83.13018931
_cell_angle_beta 83.13018931
_cell_angle_gamma 12... |
SwapAtomsAction | 341584ec-0f10-456d-98c2-91949b14483b | mp-1045681 | Swap the spatial positions of atoms at indices 76 and 26 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... | data_image0
_chemical_formula_structural Mg8Sb8As10OAs5Se8O36AsO19
_chemical_formula_sum "Mg8 Sb8 As16 O56 Se8"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.... |
SwapAtomsAction | 5b9193bc-d2f3-40ba-a345-b47564a3c7cf | mp-778762 | Swap the spatial positions of atoms at indices 8 and 62 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li6Mn12B12O36
_chemical_formula_sum "Li6 Mn12 B12 O36"
_cell_length_a 5.25285507
_cell_length_b 13.93360167
_cell_length_c 11.595015219999999
_cell_angle_alpha 66.23360605
_cell_angle_beta 77.71884092000002
_cell_angle_gamma 90.8892... | data_image0
_chemical_formula_structural Li6Mn2OMn9B12O32MnO3
_chemical_formula_sum "Li6 Mn12 O36 B12"
_cell_length_a 5.25285507
_cell_length_b 13.93360167
_cell_length_c 11.595015219999999
_cell_angle_alpha 66.23360605
_cell_angle_beta 77.71884092000002
_cell_angle_gamma ... |
SwapAtomsAction | c9ebd9e4-8474-4bfc-8cc6-f73c3d51f1d5 | mp-1444506 | Swap the spatial positions of atoms at indices 8 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3Mn2Co2O8
_chemical_formula_sum "Li3 Mn2 Co2 O8"
_cell_length_a 5.794801
_cell_length_b 5.809732470000001
_cell_length_c 5.85429586
_cell_angle_alpha 119.54427468
_cell_angle_beta 90.964218
_cell_angle_gamma 118.07145026
_space_g... | data_image0
_chemical_formula_structural OLi2Mn2Co2OLiO6
_chemical_formula_sum "O8 Li3 Mn2 Co2"
_cell_length_a 5.794801
_cell_length_b 5.809732470000001
_cell_length_c 5.85429586
_cell_angle_alpha 119.54427468
_cell_angle_beta 90.964218
_cell_angle_gamma 118.07145026
_spa... |
SwapAtomsAction | f643384f-4d74-4e94-b658-ed3240161688 | mp-556361 | Swap the spatial positions of atoms at indices 21 and 7 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr4V8Zn4O28
_chemical_formula_sum "Sr4 V8 Zn4 O28"
_cell_length_a 6.772833
_cell_length_b 7.597328
_cell_length_c 13.62432438
_cell_angle_alpha 62.3745401
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Sr4V3OV4Zn4O5VO22
_chemical_formula_sum "Sr4 V8 O28 Zn4"
_cell_length_a 6.772833
_cell_length_b 7.597328
_cell_length_c 13.62432438
_cell_angle_alpha 62.3745401
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SwapAtomsAction | 0447bef9-4f92-41de-8c37-54a162ca8c2c | mp-1175713 | Swap the spatial positions of atoms at indices 1 and 23 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 5.828364
_cell_length_b 6.61889684
_cell_length_c 7.80486759
_cell_angle_alpha 86.24410053000001
_cell_angle_beta 79.4213138
_cell_angle_gamma 77.28227324
_space_g... | data_image0
_chemical_formula_structural LiOLi7Mn2Co5O7LiO8
_chemical_formula_sum "Li9 O16 Mn2 Co5"
_cell_length_a 5.828364
_cell_length_b 6.61889684
_cell_length_c 7.80486759
_cell_angle_alpha 86.24410053000001
_cell_angle_beta 79.4213138
_cell_angle_gamma 77.28227324
_s... |
SwapAtomsAction | e74bf7cb-c2e2-4027-ac4a-8192636fb0dc | mp-1028157 | Swap the spatial positions of atoms at indices 15 and 13 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 | 2f1172bd-7d0f-45a2-9a47-37a37746b442 | mp-1190549 | Swap the spatial positions of atoms at indices 7 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ge8O16
_chemical_formula_sum "Ge8 O16"
_cell_length_a 7.54141785
_cell_length_b 7.54141785
_cell_length_c 7.35979191
_cell_angle_alpha 76.83898799
_cell_angle_beta 76.83898799
_cell_angle_gamma 121.50693674999998
_space_group_name_... | data_image0
_chemical_formula_structural Ge7O16Ge
_chemical_formula_sum "Ge8 O16"
_cell_length_a 7.54141785
_cell_length_b 7.54141785
_cell_length_c 7.35979191
_cell_angle_alpha 76.83898799
_cell_angle_beta 76.83898799
_cell_angle_gamma 121.50693674999998
_space_group_nam... |
SwapAtomsAction | 053cc286-c6ee-4709-b3a7-d9d358f4a083 | mp-1304002 | 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 Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural BiLi7Ni6BiLiO16
_chemical_formula_sum "Bi2 Li8 Ni6 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_s... |
SwapAtomsAction | 8b3192c9-9b33-4fa9-b6c6-7704df1e5a85 | mp-1239179 | Swap the spatial positions of atoms at indices 3 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 11.43266811
_cell_length_b 3.424343
_cell_length_c 12.008144939999998
_cell_angle_alpha 90.0
_cell_angle_beta 89.45799247
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Ta2CrSCr4Cu4S9CrS6
_chemical_formula_sum "Ta2 Cr6 S16 Cu4"
_cell_length_a 11.43266811
_cell_length_b 3.424343
_cell_length_c 12.008144939999998
_cell_angle_alpha 90.0
_cell_angle_beta 89.45799247
_cell_angle_gamma 90.0
_space_group... |
SwapAtomsAction | 2582d1bd-0263-4850-9a6b-c2a402008fe9 | mp-1173233 | Swap the spatial positions of atoms at indices 18 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr3LaCu2Bi4O12
_chemical_formula_sum "Sr3 La1 Cu2 Bi4 O12"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma 89.7... | data_image0
_chemical_formula_structural SrOSrLaCu2Bi4O8SrO3
_chemical_formula_sum "Sr3 O12 La1 Cu2 Bi4"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma ... |
SwapAtomsAction | eb6a46a3-3404-4119-9a15-77d6ab1fd482 | mp-1195660 | Swap the spatial positions of atoms at indices 19 and 62 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... | data_image0
_chemical_formula_structural Ba8Ga2B9OB10H14O18BO29
_chemical_formula_sum "Ba8 Ga2 B20 O48 H14"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.... |
SwapAtomsAction | 47d8ddda-a191-4de5-b65d-fdc87539a3df | mp-1100732 | Swap the spatial positions of atoms at indices 12 and 29 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 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li9Mn2CoOCo3O13CoO2
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SwapAtomsAction | fb1546b7-402b-4337-9905-fef09c399900 | mp-1189263 | Swap the spatial positions of atoms at indices 0 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural 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 NPdN2PdNO12
_chemical_formula_sum "N4 Pd2 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 ... |
SwapAtomsAction | 3d669f18-b50c-4ec2-94e6-12adafce3344 | mp-1113414 | Swap the spatial positions of atoms at indices 1 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2InAuI6
_chemical_formula_sum "Cs2 In1 Au1 I6"
_cell_length_a 8.47478367
_cell_length_b 8.47478367
_cell_length_c 8.47478367
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural CsAuInCsI6
_chemical_formula_sum "Cs2 Au1 In1 I6"
_cell_length_a 8.47478367
_cell_length_b 8.47478367
_cell_length_c 8.47478367
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... |
SwapAtomsAction | 845cb72c-c24f-4503-a167-1857795e6157 | mp-567194 | Swap the spatial positions of atoms at indices 40 and 1 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn8Nb36Ge32
_chemical_formula_sum "Mn8 Nb36 Ge32"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_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 MnNbMn6Nb32MnNb3Ge32
_chemical_formula_sum "Mn8 Nb36 Ge32"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SwapAtomsAction | 13aafe56-2627-4092-bcec-7ce062ee45ed | mp-758705 | Swap the spatial positions of atoms at indices 36 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li4Fe8B8O24
_chemical_formula_sum "Li4 Fe8 B8 O24"
_cell_length_a 5.24061526
_cell_length_b 9.15571646
_cell_length_c 11.324805590000002
_cell_angle_alpha 66.50654905
_cell_angle_beta 77.06653165
_cell_angle_gamma 89.07226698
_spac... | data_image0
_chemical_formula_structural Li4Fe6OFeB8O16FeO7
_chemical_formula_sum "Li4 Fe8 O24 B8"
_cell_length_a 5.24061526
_cell_length_b 9.15571646
_cell_length_c 11.324805590000002
_cell_angle_alpha 66.50654905
_cell_angle_beta 77.06653165
_cell_angle_gamma 89.07226698... |
SwapAtomsAction | f78a9924-ef9c-4de7-bab5-76cd481a5737 | mp-1221029 | 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 NaPr9Ge6O26
_chemical_formula_sum "Na1 Pr9 Ge6 O26"
_cell_length_a 9.90787573
_cell_length_b 9.90787573
_cell_length_c 7.246707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999818999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural NaGePr8Ge2PrGe3O26
_chemical_formula_sum "Na1 Ge6 Pr9 O26"
_cell_length_a 9.90787573
_cell_length_b 9.90787573
_cell_length_c 7.246707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999818999999
_space_group_n... |
SwapAtomsAction | 8e058a21-e885-4066-860b-bc5ac4f6793e | mp-608522 | Swap the spatial positions of atoms at indices 21 and 46 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sb4Mo20O62
_chemical_formula_sum "Sb4 Mo20 O62"
_cell_length_a 7.40808
_cell_length_b 8.194364
_cell_length_c 20.430667
_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 Sb4Mo17OMo2O22MoO39
_chemical_formula_sum "Sb4 Mo20 O62"
_cell_length_a 7.40808
_cell_length_b 8.194364
_cell_length_c 20.430667
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | f71c00ad-192d-4746-89e9-25207ebe8804 | mp-607816 | Swap the spatial positions of atoms at indices 1 and 9 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U4Fe4Ge4
_chemical_formula_sum "U4 Fe4 Ge4"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural UGeU2Fe4GeUGe2
_chemical_formula_sum "U4 Ge4 Fe4"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SwapAtomsAction | 3d631459-b7c9-495b-a941-f851c2600636 | mp-698712 | Swap the spatial positions of atoms at indices 34 and 36 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sr5La3Mn8O20F4
_chemical_formula_sum "Sr5 La3 Mn8 O20 F4"
_cell_length_a 5.628558
_cell_length_b 5.6895292
_cell_length_c 15.559255630000001
_cell_angle_alpha 89.88712299
_cell_angle_beta 89.93328182
_cell_angle_gamma 89.81643661
_... | data_image0
_chemical_formula_structural Sr5La3Mn8O18FO2F3
_chemical_formula_sum "Sr5 La3 Mn8 O20 F4"
_cell_length_a 5.628558
_cell_length_b 5.6895292
_cell_length_c 15.559255630000001
_cell_angle_alpha 89.88712299
_cell_angle_beta 89.93328182
_cell_angle_gamma 89.81643661... |
SwapAtomsAction | b8cf3400-1d02-436a-aa62-545082ae5717 | mp-1044670 | Swap the spatial positions of atoms at indices 9 and 0 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zn2Ag4O8
_chemical_formula_sum "Zn2 Ag4 O8"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_space_g... | data_image0
_chemical_formula_structural OZnAg4O3ZnO4
_chemical_formula_sum "O8 Zn2 Ag4"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_spa... |
SwapAtomsAction | c7207a3a-90f7-4757-a5d5-cfabd0be9ab5 | mp-773817 | Swap the spatial positions of atoms at indices 39 and 28 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sn16N16O8
_chemical_formula_sum "Sn16 N16 O8"
_cell_length_a 8.836539
_cell_length_b 8.83747851
_cell_length_c 8.8470165
_cell_angle_alpha 109.45200518
_cell_angle_beta 109.40988055999999
_cell_angle_gamma 109.39716906
_space_group... | data_image0
_chemical_formula_structural Sn16N12ON3O7N
_chemical_formula_sum "Sn16 N16 O8"
_cell_length_a 8.836539
_cell_length_b 8.83747851
_cell_length_c 8.8470165
_cell_angle_alpha 109.45200518
_cell_angle_beta 109.40988055999999
_cell_angle_gamma 109.39716906
_space_g... |
SwapAtomsAction | bb88da06-cb37-4302-b327-ca341cfdc427 | mp-569606 | Swap the spatial positions of atoms at indices 7 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd6Mn2Bi10
_chemical_formula_sum "Nd6 Mn2 Bi10"
_cell_length_a 9.67833614
_cell_length_b 9.67833614
_cell_length_c 6.511148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Nd6MnBiMnBi9
_chemical_formula_sum "Nd6 Mn2 Bi10"
_cell_length_a 9.67833614
_cell_length_b 9.67833614
_cell_length_c 6.511148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_a... |
SwapAtomsAction | 811610e9-d3c0-4de0-bbda-c852d907e41f | mp-3536 | Swap the spatial positions of atoms at indices 11 and 5 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg2Al4O8
_chemical_formula_sum "Mg2 Al4 O8"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319999999
_s... | data_image0
_chemical_formula_structural Mg2Al3O6AlO2
_chemical_formula_sum "Mg2 Al4 O8"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319999999... |
SwapAtomsAction | 772b39d0-569d-4899-926c-c41435228ab6 | mp-767370 | Swap the spatial positions of atoms at indices 39 and 15 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Ti4Mn6Fe8O36
_chemical_formula_sum "Li8 Ti4 Mn6 Fe8 O36"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_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 Li8Ti4Mn3OMn2Fe8O13MnO22
_chemical_formula_sum "Li8 Ti4 Mn6 O36 Fe8"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
SwapAtomsAction | 6a07712c-b2d5-43c4-9c1a-7dc695a8f7bd | mp-554704 | Swap the spatial positions of atoms at indices 6 and 8 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 Ti4P2HP2H3O20
_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... |
SwapAtomsAction | 25dd4160-2ff1-445d-856e-363cd2d8cbd5 | mp-1214440 | Swap the spatial positions of atoms at indices 3 and 12 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4LiB3N6
_chemical_formula_sum "Ba4 Li1 B3 N6"
_cell_length_a 6.87450619
_cell_length_b 6.87450619
_cell_length_c 6.87450619
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Ba3NLiB3N4BaN
_chemical_formula_sum "Ba4 N6 Li1 B3"
_cell_length_a 6.87450619
_cell_length_b 6.87450619
_cell_length_c 6.87450619
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... |
SwapAtomsAction | df1860d2-d04b-4db6-9733-42260ee9ede2 | mp-758242 | Swap the spatial positions of atoms at indices 4 and 20 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li2P6W4O24
_chemical_formula_sum "Li2 P6 W4 O24"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.7976288100000... | data_image0
_chemical_formula_structural Li2P2OP3W4O8PO15
_chemical_formula_sum "Li2 P6 O24 W4"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.7976288... |
SwapAtomsAction | d0a04972-cadd-421b-afc0-c2dad251c781 | mp-766011 | Swap the spatial positions of atoms at indices 5 and 3 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li3VCrP2H2O10
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 94.... | data_image0
_chemical_formula_structural Li3PCrVPH2O10
_chemical_formula_sum "Li3 P2 Cr1 V1 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 94.... |
SwapAtomsAction | e96120c9-9c6a-4c03-8c2c-22562109f570 | mp-1192939 | Swap the spatial positions of atoms at indices 3 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sc6Co16Si7
_chemical_formula_sum "Sc6 Co16 Si7"
_cell_length_a 8.06826091
_cell_length_b 8.06826091
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Sc3CoSc2Co4ScCo11Si7
_chemical_formula_sum "Sc6 Co16 Si7"
_cell_length_a 8.06826091
_cell_length_b 8.06826091
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
SwapAtomsAction | 90ed782e-ff1e-4cd6-8824-3dee901bfa1d | mp-1191000 | Swap the spatial positions of atoms at indices 0 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Eu6Si4Ni12
_chemical_formula_sum "Eu6 Si4 Ni12"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural NiEu5Si4Ni8EuNi3
_chemical_formula_sum "Ni12 Eu6 Si4"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_... |
SwapAtomsAction | 5f2148a4-fbda-42d2-aa83-a23413088992 | mp-767370 | Swap the spatial positions of atoms at indices 46 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Ti4Mn6Fe8O36
_chemical_formula_sum "Li8 Ti4 Mn6 Fe8 O36"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_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 Li6OLiTi4Mn6Fe8O20LiO15
_chemical_formula_sum "Li8 O36 Ti4 Mn6 Fe8"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SwapAtomsAction | edfd21e3-8adf-4054-9ff1-3d3ad5a47ac4 | mp-36100 | 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 Ca2Sm4S8
_chemical_formula_sum "Ca2 Sm4 S8"
_cell_length_a 7.3624864
_cell_length_b 7.362486399999999
_cell_length_c 7.3624864
_cell_angle_alpha 109.59223233
_cell_angle_beta 109.59223233
_cell_angle_gamma 109.22946738
_space_group... | data_image0
_chemical_formula_structural Ca2Sm2SSmS6SmS
_chemical_formula_sum "Ca2 Sm4 S8"
_cell_length_a 7.3624864
_cell_length_b 7.362486399999999
_cell_length_c 7.3624864
_cell_angle_alpha 109.59223233
_cell_angle_beta 109.59223233
_cell_angle_gamma 109.22946738
_space... |
SwapAtomsAction | 0499252f-1042-4cf1-9510-571908018687 | mp-24598 | Swap the spatial positions of atoms at indices 26 and 37 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H10OH5O5HO34
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SwapAtomsAction | c19bcb8e-669c-498e-ae29-a67031ea120d | mp-641191 | Swap the spatial positions of atoms at indices 42 and 17 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural U8Tl8Mo12O64
_chemical_formula_sum "U8 Tl8 Mo12 O64"
_cell_length_a 8.414816
_cell_length_b 9.871656
_cell_length_c 20.405515
_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 U8Tl8MoOMo10O14MoO49
_chemical_formula_sum "U8 Tl8 Mo12 O64"
_cell_length_a 8.414816
_cell_length_b 9.871656
_cell_length_c 20.405515
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | 7a59e331-6f84-4cb6-9356-4407b590c349 | mp-1173626 | Swap the spatial positions of atoms at indices 5 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Nd4C2O10
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Nd4CO5CO5
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P... |
SwapAtomsAction | ce10bb62-fa3b-4027-b8d8-9e24ce6fbbda | mp-1191177 | Swap the spatial positions of atoms at indices 22 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Tb4Co14B6
_chemical_formula_sum "Tb4 Co14 B6"
_cell_length_a 5.03978762
_cell_length_b 5.03749468
_cell_length_c 12.725759999999998
_cell_angle_alpha 89.99993873
_cell_angle_beta 90.00011549
_cell_angle_gamma 120.0150517
_space_gro... | data_image0
_chemical_formula_structural Tb4Co2BCo11B4CoB
_chemical_formula_sum "Tb4 Co14 B6"
_cell_length_a 5.03978762
_cell_length_b 5.03749468
_cell_length_c 12.725759999999998
_cell_angle_alpha 89.99993873
_cell_angle_beta 90.00011549
_cell_angle_gamma 120.0150517
_sp... |
SwapAtomsAction | f32376e1-62a4-4f9b-88b9-b2cb52a0381f | mp-34237 | Swap the spatial positions of atoms at indices 33 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mn12Cu6O24
_chemical_formula_sum "Mn12 Cu6 O24"
_cell_length_a 6.11319617
_cell_length_b 6.113196169999999
_cell_length_c 14.74257279
_cell_angle_alpha 87.05947953000002
_cell_angle_beta 87.05947953000002
_cell_angle_gamma 58.126996... | data_image0
_chemical_formula_structural Mn6OMn5Cu6O15MnO8
_chemical_formula_sum "Mn12 O24 Cu6"
_cell_length_a 6.11319617
_cell_length_b 6.113196169999999
_cell_length_c 14.74257279
_cell_angle_alpha 87.05947953000002
_cell_angle_beta 87.05947953000002
_cell_angle_gamma 58... |
SwapAtomsAction | d262fd0c-bdab-4ab5-b2d1-a23d977efc52 | mp-1211273 | 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 La4Cr4Se8O4
_chemical_formula_sum "La4 Cr4 Se8 O4"
_cell_length_a 3.898326
_cell_length_b 8.78312
_cell_length_c 11.70561
_cell_angle_alpha 90.00068837
_cell_angle_beta 89.99871699
_cell_angle_gamma 90.00050427
_space_group_name_H-... | data_image0
_chemical_formula_structural La4CrSeCr2Se2CrSe5O4
_chemical_formula_sum "La4 Cr4 Se8 O4"
_cell_length_a 3.898326
_cell_length_b 8.78312
_cell_length_c 11.70561
_cell_angle_alpha 90.00068837
_cell_angle_beta 89.99871699
_cell_angle_gamma 90.00050427
_space_grou... |
SwapAtomsAction | 66109b9a-d3c6-496b-8205-f1f435918305 | mp-2230683 | Swap the spatial positions of atoms at indices 2 and 18 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural MgGe4Bi2O12
_chemical_formula_sum "Mg1 Ge4 Bi2 O12"
_cell_length_a 5.80941945
_cell_length_b 7.43612217
_cell_length_c 7.245667429999999
_cell_angle_alpha 86.30378382
_cell_angle_beta 78.04470993
_cell_angle_gamma 73.13947178
_spac... | data_image0
_chemical_formula_structural MgGeOGe2Bi2O11Ge
_chemical_formula_sum "Mg1 Ge4 O12 Bi2"
_cell_length_a 5.80941945
_cell_length_b 7.43612217
_cell_length_c 7.245667429999999
_cell_angle_alpha 86.30378382
_cell_angle_beta 78.04470993
_cell_angle_gamma 73.13947178
... |
SwapAtomsAction | 2bd8765b-4fe8-4ca4-b502-3f90d62b7e0e | mp-1235023 | 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 LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... | data_image0
_chemical_formula_structural LiOZnFe4O5ZnO2
_chemical_formula_sum "Li1 O8 Zn2 Fe4"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.26670332... |
SwapAtomsAction | 2a0e6829-2513-404c-94f2-3bc95431851b | mp-1211033 | Swap the spatial positions of atoms at indices 0 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... | data_image0
_chemical_formula_structural FeLu11In2LuFe2
_chemical_formula_sum "Fe3 Lu12 In2"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_sp... |
SwapAtomsAction | d9f753d8-6f73-4651-828a-64e0a39ff4c3 | mp-1195660 | Swap the spatial positions of atoms at indices 82 and 21 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... | data_image0
_chemical_formula_structural Ba8Ga2B11OB8H14O38BO9
_chemical_formula_sum "Ba8 Ga2 B20 O48 H14"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1... |
SwapAtomsAction | dbc7259a-1a7e-4089-b69f-e909baa8d2ab | mp-20461 | 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 Ba2Pb2O6
_chemical_formula_sum "Ba2 Pb2 O6"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
_space... | data_image0
_chemical_formula_structural Ba2OPb2O5
_chemical_formula_sum "Ba2 O6 Pb2"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
_spac... |
SwapAtomsAction | b6ebff08-c2b1-4865-81f6-2d2280788204 | mp-978968 | Swap the spatial positions of atoms at indices 1 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... | data_image0
_chemical_formula_structural TiOTi5O3
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_gr... |
SwapAtomsAction | e59a0d53-658c-45e7-b1a2-33a76ea0793f | mp-740754 | Swap the spatial positions of atoms at indices 16 and 51 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm2H16N6O30
_chemical_formula_sum "Sm2 H16 N6 O30"
_cell_length_a 6.80610947
_cell_length_b 8.82664685
_cell_length_c 12.03004984
_cell_angle_alpha 68.70142431
_cell_angle_beta 91.11333889
_cell_angle_gamma 69.58113973
_space_group... | data_image0
_chemical_formula_structural Sm2H14OHN6O27HO2
_chemical_formula_sum "Sm2 H16 O30 N6"
_cell_length_a 6.80610947
_cell_length_b 8.82664685
_cell_length_c 12.03004984
_cell_angle_alpha 68.70142431
_cell_angle_beta 91.11333889
_cell_angle_gamma 69.58113973
_space_... |
SwapAtomsAction | 4dc6531d-1491-4537-8681-cd54e538128c | mp-686019 | Swap the spatial positions of atoms at indices 1 and 33 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Y8Ti8O28
_chemical_formula_sum "Y8 Ti8 O28"
_cell_length_a 7.365875
_cell_length_b 7.39743107
_cell_length_c 10.69679628
_cell_angle_alpha 86.13988558
_cell_angle_beta 88.87738194
_cell_angle_gamma 89.17811148
_space_group_name_H-M... | data_image0
_chemical_formula_structural YOY6Ti8O17YO10
_chemical_formula_sum "Y8 O28 Ti8"
_cell_length_a 7.365875
_cell_length_b 7.39743107
_cell_length_c 10.69679628
_cell_angle_alpha 86.13988558
_cell_angle_beta 88.87738194
_cell_angle_gamma 89.17811148
_space_group_na... |
SwapAtomsAction | 526e9808-9ff3-4b34-a077-987bc30ba87b | mp-647812 | Swap the spatial positions of atoms at indices 22 and 36 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cr4C24O24
_chemical_formula_sum "Cr4 C24 O24"
_cell_length_a 6.20407855
_cell_length_b 10.86429383
_cell_length_c 11.50555702
_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 Cr4C18OC5O8CO15
_chemical_formula_sum "Cr4 C24 O24"
_cell_length_a 6.20407855
_cell_length_b 10.86429383
_cell_length_c 11.50555702
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
SwapAtomsAction | 8055feb1-ef54-43c2-8277-c5fab7092185 | mp-699431 | Swap the spatial positions of atoms at indices 14 and 10 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Al2H8OSe4O15
_chemical_formula_sum "Al2 H8 O16 Se4"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
SwapAtomsAction | d983dac5-fcac-4553-837d-51652e028603 | mp-1216188 | Swap the spatial positions of atoms at indices 31 and 44 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Zr37Mo15P4
_chemical_formula_sum "Zr37 Mo15 P4"
_cell_length_a 8.75578693
_cell_length_b 8.755895
_cell_length_c 17.550792
_cell_angle_alpha 90.0
_cell_angle_beta 90.00009104
_cell_angle_gamma 59.999595479999996
_space_group_name_H... | data_image0
_chemical_formula_structural Zr31MoZr5Mo7ZrMo7P4
_chemical_formula_sum "Zr37 Mo15 P4"
_cell_length_a 8.75578693
_cell_length_b 8.755895
_cell_length_c 17.550792
_cell_angle_alpha 90.0
_cell_angle_beta 90.00009104
_cell_angle_gamma 59.999595479999996
_space_gro... |
SwapAtomsAction | 53ae9816-46be-416b-951c-6c3f8e780e73 | mp-1041629 | Swap the spatial positions of atoms at indices 1 and 23 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg4Co8O16
_chemical_formula_sum "Mg4 Co8 O16"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 9.669462
_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 MgOMg2Co8O11MgO4
_chemical_formula_sum "Mg4 O16 Co8"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 9.669462
_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 | 44de0799-9d85-426d-bcf9-342373de136b | mp-505267 | 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 Np4Si8Tc6
_chemical_formula_sum "Np4 Si8 Tc6"
_cell_length_a 8.09995615
_cell_length_b 5.6419647
_cell_length_c 6.806988380000001
_cell_angle_alpha 76.41346858
_cell_angle_beta 89.99931691
_cell_angle_gamma 90.00011464999999
_space... | data_image0
_chemical_formula_structural Np4TcSi7Tc4SiTc
_chemical_formula_sum "Np4 Tc6 Si8"
_cell_length_a 8.09995615
_cell_length_b 5.6419647
_cell_length_c 6.806988380000001
_cell_angle_alpha 76.41346858
_cell_angle_beta 89.99931691
_cell_angle_gamma 90.00011464999999
... |
SwapAtomsAction | a89f270e-3bf2-48e9-ad36-2629283ed8a5 | mp-763174 | Swap the spatial positions of atoms at indices 14 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.827165259999994
_space... | data_image0
_chemical_formula_structural Li4OLi3V4O2LiO5F4
_chemical_formula_sum "Li8 O8 V4 F4"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.827165259999994... |
SwapAtomsAction | 148dc617-3b62-4a87-b793-322d805065fe | mp-997504 | Swap the spatial positions of atoms at indices 1 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural 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 CuOCu5OF10
_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
_sp... |
SwapAtomsAction | d30a48b8-98a7-4024-a262-e749bbf67ea6 | mp-1038196 | Swap the spatial positions of atoms at indices 13 and 57 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Mg30NbAlO32
_chemical_formula_sum "Mg30 Nb1 Al1 O32"
_cell_length_a 8.580637
_cell_length_b 8.580637
_cell_length_c 8.583799
_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 Mg13OMg16NbAlO25MgO6
_chemical_formula_sum "Mg30 O32 Nb1 Al1"
_cell_length_a 8.580637
_cell_length_b 8.580637
_cell_length_c 8.583799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SwapAtomsAction | cd9704f9-adbc-4466-ad2a-9d76fc21de78 | mp-1188929 | Swap the spatial positions of atoms at indices 7 and 14 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ti2Nb6S12
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_... | data_image0
_chemical_formula_structural Ti2Nb5S7NbS5
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_spa... |
SwapAtomsAction | 6bc84507-28e2-447d-8aa7-614db647999b | mp-979979 | Swap the spatial positions of atoms at indices 19 and 4 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Sm6Sb8Au6
_chemical_formula_sum "Sm6 Sb8 Au6"
_cell_length_a 8.66406727
_cell_length_b 8.66406727
_cell_length_c 8.66406727
_cell_angle_alpha 109.47119828
_cell_angle_beta 109.47119828
_cell_angle_gamma 109.47119828
_space_group_na... | data_image0
_chemical_formula_structural Sm4AuSmSb8Au5Sm
_chemical_formula_sum "Sm6 Au6 Sb8"
_cell_length_a 8.66406727
_cell_length_b 8.66406727
_cell_length_c 8.66406727
_cell_angle_alpha 109.47119828
_cell_angle_beta 109.47119828
_cell_angle_gamma 109.47119828
_space_gr... |
SwapAtomsAction | 46562bb8-840d-4061-b5c5-d044ff9c14ef | mp-757411 | Swap the spatial positions of atoms at indices 15 and 41 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Li8Co4P8O28
_chemical_formula_sum "Li8 Co4 P8 O28"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_group_... | data_image0
_chemical_formula_structural Li8Co4P3OP4O21PO6
_chemical_formula_sum "Li8 Co4 P8 O28"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_... |
SwapAtomsAction | 46915439-7904-4f3f-8b4a-e07821fdaaf9 | mp-2227274 | Swap the spatial positions of atoms at indices 0 and 1 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 WMgWBr4O4
_chemical_formula_sum "W2 Mg1 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... |
SwapAtomsAction | 14c98c93-365c-42f0-bda9-081ef71d2023 | mp-558525 | Swap the spatial positions of atoms at indices 23 and 62 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural V16Fe8O52
_chemical_formula_sum "V16 Fe8 O52"
_cell_length_a 9.41919459
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural V16Fe7O39FeO13
_chemical_formula_sum "V16 Fe8 O52"
_cell_length_a 9.41919459
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | 1329e12e-bfcb-42e4-ab3d-f2429afa14f7 | mp-2503 | Swap the spatial positions of atoms at indices 18 and 8 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pd8SePd5Se4PdSe3
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_... |
SwapAtomsAction | c86eeac5-491a-4536-b532-c0c74d651690 | mp-1213264 | Swap the spatial positions of atoms at indices 1 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Cs2Nd2Te8
_chemical_formula_sum "Cs2 Nd2 Te8"
_cell_length_a 8.09809799
_cell_length_b 8.09809799
_cell_length_c 12.352567
_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 CsTeNd2Te2CsTe5
_chemical_formula_sum "Cs2 Te8 Nd2"
_cell_length_a 8.09809799
_cell_length_b 8.09809799
_cell_length_c 12.352567
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SwapAtomsAction | bd0a820b-6902-4b22-9509-aa1f807191ed | mp-771174 | Swap the spatial positions of atoms at indices 20 and 6 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ba8B8O20
_chemical_formula_sum "Ba8 B8 O20"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6OBaB8O4BaO15
_chemical_formula_sum "Ba8 O20 B8"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SwapAtomsAction | f789bfd9-8016-4225-980e-fea198ce590a | mp-1175691 | 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 Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... | data_image0
_chemical_formula_structural LiCoLi7Mn2Co2LiCo2O16
_chemical_formula_sum "Li9 Co5 Mn2 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.3... |
SwapAtomsAction | edffe2af-ec3a-41e0-b395-9f8f17298712 | mp-1029037 | 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 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 WMoW2Se2S6
_chemical_formula_sum "W3 Mo1 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 ... |
SwapAtomsAction | b8a7e9e1-67f8-4d79-bf62-19429a64dd66 | mp-2215121 | 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 Co4NiO8
_chemical_formula_sum "Co4 Ni1 O8"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83364116000... | data_image0
_chemical_formula_structural Co2OCoNiOCoO6
_chemical_formula_sum "Co4 O8 Ni1"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83364... |
SwapAtomsAction | 85716588-564c-4163-bbaf-fa31a3531c88 | mp-704542 | Swap the spatial positions of atoms at indices 62 and 24 in the cif file. The indices of atoms are started from 0. | data_image0
_chemical_formula_structural Ge4W8C40Br8O40
_chemical_formula_sum "Ge4 W8 C40 Br8 O40"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge4W8C12OC27Br8O2CO37
_chemical_formula_sum "Ge4 W8 C40 O40 Br8"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
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