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 |
|---|---|---|---|---|---|
MoveSelectedAtomsAction | 2a6d708a-316a-4246-8227-0f53ff5cb6f3 | mp-1105449 | Move atoms at indices [10, 14] by [-3.619 -3.398 0.693] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 0bcccf70-3b45-488e-82b9-621cc6cd9f3c | mp-1178408 | Move atoms at indices [5, 12, 20, 4, 7, 8, 17, 16, 18, 9, 23, 21, 1, 14, 10, 2, 0, 13, 15, 6] by [-2.853 -1.542 -1.192] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 4bfcd623-0c03-41aa-afd1-71df52799769 | mp-1569720 | Move atoms at indices [17, 18, 10] by [ 1.033 -4.946 1.104] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... |
MoveSelectedAtomsAction | f97796ee-b29a-4799-8f2d-0202897ed232 | mp-1185672 | Move atoms at indices [23, 20, 27, 5, 17, 3, 2, 26, 19, 15, 8, 22, 14, 28, 24, 7, 1, 12, 10, 25, 6] by [-1.219 -1.657 -2.203] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg16Al12H
_chemical_formula_sum "Mg16 Al12 H1"
_cell_length_a 9.10495516
_cell_length_b 9.10495516
_cell_length_c 9.06015584
_cell_angle_alpha 70.47656207
_cell_angle_beta 70.47656207
_cell_angle_gamma 109.49636402000002
_space_gro... | data_image0
_chemical_formula_structural Mg16Al12H
_chemical_formula_sum "Mg16 Al12 H1"
_cell_length_a 9.10495516
_cell_length_b 9.10495516
_cell_length_c 9.06015584
_cell_angle_alpha 70.47656207
_cell_angle_beta 70.47656207
_cell_angle_gamma 109.49636402000002
_space_gro... |
MoveSelectedAtomsAction | eeb94af8-048e-4985-9689-b2af9c39d8ce | mp-757897 | Move atoms at indices [47, 25, 44, 9, 3, 29, 40, 11, 15, 32] by [ 2.467 -0.353 -0.273] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe12Co4O32
_chemical_formula_sum "Li8 Fe12 Co4 O32"
_cell_length_a 8.101068
_cell_length_b 8.101068
_cell_length_c 8.101068
_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 Li8Fe12Co4O32
_chemical_formula_sum "Li8 Fe12 Co4 O32"
_cell_length_a 8.101068
_cell_length_b 8.101068
_cell_length_c 8.101068
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | f7404aa9-a904-4965-a736-8798cfadf79a | mp-1212427 | Move atoms at indices [8, 7, 0, 5, 1, 4, 3, 9, 6, 2] by [4.308 0.941 0.913] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho8Co2
_chemical_formula_sum "Ho8 Co2"
_cell_length_a 7.44397896
_cell_length_b 7.44397896
_cell_length_c 7.44397896
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... | data_image0
_chemical_formula_structural Ho8Co2
_chemical_formula_sum "Ho8 Co2"
_cell_length_a 7.44397896
_cell_length_b 7.44397896
_cell_length_c 7.44397896
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... |
MoveSelectedAtomsAction | b13e9e85-8dd0-466a-b588-6ea7fa61add4 | mp-1853 | Move atoms at indices [33, 12, 7, 29, 24, 4, 30, 0, 10, 2, 1, 31, 20, 18, 17, 32, 16, 13, 3, 8, 25, 22, 9, 6, 19, 23] by [ 0.263 -0.338 -2.315] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6P28
_chemical_formula_sum "Sr6 P28"
_cell_length_a 6.36835152
_cell_length_b 9.92603614
_cell_length_c 12.8016994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.80179759
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sr6P28
_chemical_formula_sum "Sr6 P28"
_cell_length_a 6.36835152
_cell_length_b 9.92603614
_cell_length_c 12.8016994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.80179759
_space_group_name_H-M_alt "P 1"
_spa... |
MoveSelectedAtomsAction | ebaee347-66d5-4923-8baa-cc9edacd275b | mp-1047 | Move atoms at indices [5, 3, 0, 8, 2, 6, 1, 9, 7] by [1.626 0.346 3.636] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6N4
_chemical_formula_sum "Ca6 N4"
_cell_length_a 6.57503857
_cell_length_b 6.57503757
_cell_length_c 6.575037730000001
_cell_angle_alpha 56.04671973000001
_cell_angle_beta 56.04673021
_cell_angle_gamma 56.046734570000005
_space_... | data_image0
_chemical_formula_structural Ca6N4
_chemical_formula_sum "Ca6 N4"
_cell_length_a 6.57503857
_cell_length_b 6.57503757
_cell_length_c 6.575037730000001
_cell_angle_alpha 56.04671973000001
_cell_angle_beta 56.04673021
_cell_angle_gamma 56.046734570000005
_space_... |
MoveSelectedAtomsAction | b21c60ae-5980-4bae-907c-a0d888753971 | mp-1224058 | Move atoms at indices [17, 12, 3, 14, 15, 19, 2, 9, 10, 13, 5, 18, 16, 6, 0, 7, 1, 4, 11] by [-0.749 -2.47 2.147] angstrom in the cif file. | 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 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 ... |
MoveSelectedAtomsAction | ca777323-a6ad-452c-a513-d6147e9949b7 | mp-2901360 | Move atoms at indices [10, 13, 9, 11] by [ 2.705 -0.32 1.013] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2I4O8
_chemical_formula_sum "Ca2 I4 O8"
_cell_length_a 9.42743655
_cell_length_b 3.75674854
_cell_length_c 7.122865850000001
_cell_angle_alpha 79.45788314
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca2I4O8
_chemical_formula_sum "Ca2 I4 O8"
_cell_length_a 9.42743655
_cell_length_b 3.75674854
_cell_length_c 7.122865850000001
_cell_angle_alpha 79.45788314
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | fc0b25da-6a48-474a-8fbb-e458b764a63e | mp-1201219 | Move atoms at indices [11, 20, 32, 38, 17, 25, 29, 28, 34, 22, 8, 39, 31, 15, 16, 26, 9, 13, 18, 43, 7, 1, 35, 3, 6, 19, 41, 40, 10, 37] by [-1.656 1.369 -1.089] angstrom in the cif file. | data_image0
_chemical_formula_structural V2H20Se2N2O18
_chemical_formula_sum "V2 H20 Se2 N2 O18"
_cell_length_a 10.192343
_cell_length_b 6.453246
_cell_length_c 6.96197425
_cell_angle_alpha 71.20626341
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural V2H20Se2N2O18
_chemical_formula_sum "V2 H20 Se2 N2 O18"
_cell_length_a 10.192343
_cell_length_b 6.453246
_cell_length_c 6.96197425
_cell_angle_alpha 71.20626341
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | c3bc85bb-80db-42d1-8091-01e044257674 | mp-2217908 | Move atoms at indices [3, 2, 4, 8, 0] by [ 1.213 -1.621 1.399] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCd2Co2O6
_chemical_formula_sum "Mg1 Cd2 Co2 O6"
_cell_length_a 6.21992716
_cell_length_b 6.22011824
_cell_length_c 6.21995203
_cell_angle_alpha 48.15589181999999
_cell_angle_beta 48.1563082
_cell_angle_gamma 48.15577986
_space_gr... | data_image0
_chemical_formula_structural MgCd2Co2O6
_chemical_formula_sum "Mg1 Cd2 Co2 O6"
_cell_length_a 6.21992716
_cell_length_b 6.22011824
_cell_length_c 6.21995203
_cell_angle_alpha 48.15589181999999
_cell_angle_beta 48.1563082
_cell_angle_gamma 48.15577986
_space_gr... |
MoveSelectedAtomsAction | a03690e9-7efb-4a19-a09c-82bf82fb6d6c | mp-18010 | Move atoms at indices [15, 7, 24, 3, 4, 16, 9, 22, 8, 14, 25, 20, 19, 1, 11, 5, 17, 12] by [ 1.169 -0.494 -0.136] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Pd6Se16
_chemical_formula_sum "Ta4 Pd6 Se16"
_cell_length_a 3.58290865
_cell_length_b 11.12606605
_cell_length_c 15.47467255
_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 Ta4Pd6Se16
_chemical_formula_sum "Ta4 Pd6 Se16"
_cell_length_a 3.58290865
_cell_length_b 11.12606605
_cell_length_c 15.47467255
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 6f8437b5-7fd8-4ffe-a074-c7b672b35020 | mp-541520 | Move atoms at indices [14, 34, 4, 9, 22, 35, 19, 28, 29, 24, 13, 2, 16, 6, 5, 31, 21, 1, 32, 18, 23, 10, 26, 0, 7, 11, 27, 20, 30, 15, 17, 33, 8] by [ 1.054 -1.324 -1.382] angstrom in the cif file. | data_image0
_chemical_formula_structural K2V6Se4O24
_chemical_formula_sum "K2 V6 Se4 O24"
_cell_length_a 7.15859961
_cell_length_b 7.15859961
_cell_length_c 11.932191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999635000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K2V6Se4O24
_chemical_formula_sum "K2 V6 Se4 O24"
_cell_length_a 7.15859961
_cell_length_b 7.15859961
_cell_length_c 11.932191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999635000002
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | a197f546-6ebd-4fce-b270-70505ac054ab | mp-3536 | Move atoms at indices [9, 10, 1, 3, 13, 0, 12, 11, 8, 6, 7, 5, 4, 2] by [ 1.647 1.554 -4.705] angstrom in the cif file. | 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 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... |
MoveSelectedAtomsAction | 48c8485c-adca-4bac-9654-3bd00eea0839 | mp-1518357 | Move atoms at indices [1, 3, 4, 2, 8, 5, 7, 0, 9] by [-2.468 -2.119 -2.074] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu2HfNbO6
_chemical_formula_sum "Eu2 Hf1 Nb1 O6"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_space_gro... | data_image0
_chemical_formula_structural Eu2HfNbO6
_chemical_formula_sum "Eu2 Hf1 Nb1 O6"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_space_gro... |
MoveSelectedAtomsAction | d5655f3d-55a2-478e-bd72-48aec3ea8f51 | mp-1226598 | Move atoms at indices [4, 9, 2, 1, 0, 8, 5, 6, 7, 11, 3] by [-3.216 -1.476 1.691] angstrom in the cif file. | data_image0
_chemical_formula_structural CeTh3O8
_chemical_formula_sum "Ce1 Th3 O8"
_cell_length_a 13.02289748
_cell_length_b 13.02289748
_cell_length_c 13.02289643
_cell_angle_alpha 17.38526101000004
_cell_angle_beta 17.38526101
_cell_angle_gamma 17.385260550000027
_spac... | data_image0
_chemical_formula_structural CeTh3O8
_chemical_formula_sum "Ce1 Th3 O8"
_cell_length_a 13.02289748
_cell_length_b 13.02289748
_cell_length_c 13.02289643
_cell_angle_alpha 17.38526101000004
_cell_angle_beta 17.38526101
_cell_angle_gamma 17.385260550000027
_spac... |
MoveSelectedAtomsAction | d02b818c-5b20-4291-b3cd-886a547ebe24 | mp-1276118 | Move atoms at indices [23, 0, 21, 13, 12, 15, 18, 11, 26, 20, 27, 16, 2] by [ 4.495 2.636 -0.686] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Y4Co4O16
_chemical_formula_sum "Sr4 Y4 Co4 O16"
_cell_length_a 6.82662412
_cell_length_b 7.656220570000001
_cell_length_c 8.49591655
_cell_angle_alpha 116.01055158
_cell_angle_beta 68.13609192
_cell_angle_gamma 106.15056943
_spa... | data_image0
_chemical_formula_structural Sr4Y4Co4O16
_chemical_formula_sum "Sr4 Y4 Co4 O16"
_cell_length_a 6.82662412
_cell_length_b 7.656220570000001
_cell_length_c 8.49591655
_cell_angle_alpha 116.01055158
_cell_angle_beta 68.13609192
_cell_angle_gamma 106.15056943
_spa... |
MoveSelectedAtomsAction | bc6d1974-9f97-4a2b-875b-38c046d08f3b | mp-568234 | Move atoms at indices [3, 2, 0, 13, 1, 15] by [-0.763 -1.534 1.449] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Ca2Sn12
_chemical_formula_sum "Na8 Ca2 Sn12"
_cell_length_a 10.1450155
_cell_length_b 10.1450155
_cell_length_c 7.232024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999674000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Na8Ca2Sn12
_chemical_formula_sum "Na8 Ca2 Sn12"
_cell_length_a 10.1450155
_cell_length_b 10.1450155
_cell_length_c 7.232024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999674000001
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | b6cab8a4-5831-4793-bc05-eb7eb8e340e0 | mp-1196042 | Move atoms at indices [36, 29, 59, 34, 54, 40, 14, 63, 20, 39, 38] by [-0.408 -2.136 1.364] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... |
MoveSelectedAtomsAction | 614d0e8c-2452-4ef8-a8b6-4adc000d13fe | mp-1105286 | Move atoms at indices [14, 8, 11, 1, 10] by [0.93 0.662 1.045] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... | data_image0
_chemical_formula_structural Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... |
MoveSelectedAtomsAction | df9a4f1f-6528-436a-869e-b1c92f039c09 | mp-1028291 | Move atoms at indices [2, 10, 9, 4, 15, 7, 5, 1, 11, 14, 8, 12] by [ 0.902 -1.373 -0.833] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14TiSn
_chemical_formula_sum "Mg14 Ti1 Sn1"
_cell_length_a 6.35788669
_cell_length_b 6.26407423
_cell_length_c 10.26129398
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.51309288
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg14TiSn
_chemical_formula_sum "Mg14 Ti1 Sn1"
_cell_length_a 6.35788669
_cell_length_b 6.26407423
_cell_length_c 10.26129398
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.51309288
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 44da1b5f-cd74-4040-9b26-69e5b74e877e | mp-557900 | Move atoms at indices [36, 15, 52, 35, 49, 50, 37, 31, 46, 7, 29, 18, 47, 22, 23, 40, 16, 24, 9, 0, 42, 28, 54, 34, 26, 19, 4, 2, 17, 33, 38, 14, 1, 5, 12, 55, 53, 41, 44, 20, 21, 8] by [ 0.121 -0.015 -0.256] angstrom in the cif file. | 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 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_... |
MoveSelectedAtomsAction | 0b12af5b-524c-4a84-ad36-25744470c9cc | mp-722910 | Move atoms at indices [5, 1, 20, 21, 7, 0] by [-1.365 -3.464 -2.462] angstrom in the cif file. | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 1b169fb6-2758-4034-bf33-8136074f5c51 | mp-1079659 | Move atoms at indices [5, 3, 2, 4, 0, 1, 7, 9, 8, 6] by [ 2.38 -0.942 1.911] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2B4Mo4
_chemical_formula_sum "Ta2 B4 Mo4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Ta2B4Mo4
_chemical_formula_sum "Ta2 B4 Mo4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_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... |
MoveSelectedAtomsAction | 1dd89552-9486-42f6-8e6d-fea24b1dd9ba | mp-1246724 | Move atoms at indices [13, 12, 4, 19] by [ 2.778 -0.292 -1.791] angstrom in the cif file. | data_image0
_chemical_formula_structural K12W2N8
_chemical_formula_sum "K12 W2 N8"
_cell_length_a 8.235276
_cell_length_b 8.235276
_cell_length_c 6.767872
_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 K12W2N8
_chemical_formula_sum "K12 W2 N8"
_cell_length_a 8.235276
_cell_length_b 8.235276
_cell_length_c 6.767872
_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... |
MoveSelectedAtomsAction | 90257966-e5e8-4222-86b7-8847b6aeb0fc | mp-1522534 | Move atoms at indices [5, 7, 17, 10, 3, 8] by [-3.389 0.748 -1.847] angstrom in the cif file. | data_image0
_chemical_formula_structural KSmV4O12
_chemical_formula_sum "K1 Sm1 V4 O12"
_cell_length_a 6.08342674
_cell_length_b 6.083426740000001
_cell_length_c 7.22975552
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 107.35195116
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural KSmV4O12
_chemical_formula_sum "K1 Sm1 V4 O12"
_cell_length_a 6.08342674
_cell_length_b 6.083426740000001
_cell_length_c 7.22975552
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 107.35195116
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 0987292e-4969-4e9f-ab85-08b831da7178 | mp-1217053 | Move atoms at indices [6, 3, 4, 5, 2, 12, 1, 0] by [ 0.056 -1.198 -1.462] angstrom in the cif file. | data_image0
_chemical_formula_structural UFe10Si2
_chemical_formula_sum "U1 Fe10 Si2"
_cell_length_a 4.730447
_cell_length_b 6.3071932
_cell_length_c 6.3071932
_cell_angle_alpha 99.35466125000002
_cell_angle_beta 112.02456319999999
_cell_angle_gamma 67.9754368
_space_grou... | data_image0
_chemical_formula_structural UFe10Si2
_chemical_formula_sum "U1 Fe10 Si2"
_cell_length_a 4.730447
_cell_length_b 6.3071932
_cell_length_c 6.3071932
_cell_angle_alpha 99.35466125000002
_cell_angle_beta 112.02456319999999
_cell_angle_gamma 67.9754368
_space_grou... |
MoveSelectedAtomsAction | 6facc260-9115-4cc1-bb90-26e7d0814a1e | mp-771953 | Move atoms at indices [19, 26, 8, 5, 0, 14, 18, 12, 23, 21, 4, 13, 22, 25, 24, 11, 9, 15, 6, 3] by [ 3.661 -2.274 -1.341] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | cdbc0a42-ef69-4eb5-98ab-8b6cc28344a1 | mp-765360 | Move atoms at indices [26, 22, 23, 13, 3, 16, 2, 1, 19, 20, 0, 11, 27, 24, 21, 8, 12, 15, 5, 28, 7, 6, 14, 25, 10, 4, 18] by [-1.577 -1.249 -2.983] angstrom in the cif file. | data_image0
_chemical_formula_structural NiPt12O16
_chemical_formula_sum "Ni1 Pt12 O16"
_cell_length_a 8.02621634
_cell_length_b 8.02621634
_cell_length_c 8.02621634
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural NiPt12O16
_chemical_formula_sum "Ni1 Pt12 O16"
_cell_length_a 8.02621634
_cell_length_b 8.02621634
_cell_length_c 8.02621634
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
MoveSelectedAtomsAction | be7fab84-e029-4a6a-a47f-b2f089014ee4 | mp-1227224 | Move atoms at indices [25, 28, 21, 2, 36, 22, 7, 8, 0, 24, 11] by [-0.869 1.522 -0.699] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4La4Nb4Co4O24
_chemical_formula_sum "Ca4 La4 Nb4 Co4 O24"
_cell_length_a 5.75215555
_cell_length_b 9.73227218
_cell_length_c 9.701811169999997
_cell_angle_alpha 70.08956945
_cell_angle_beta 90.01605944999999
_cell_angle_gamma 89.9... | data_image0
_chemical_formula_structural Ca4La4Nb4Co4O24
_chemical_formula_sum "Ca4 La4 Nb4 Co4 O24"
_cell_length_a 5.75215555
_cell_length_b 9.73227218
_cell_length_c 9.701811169999997
_cell_angle_alpha 70.08956945
_cell_angle_beta 90.01605944999999
_cell_angle_gamma 89.9... |
MoveSelectedAtomsAction | 63e6dcc1-7cfa-4266-9b27-568d8f07baec | mp-1032930 | Move atoms at indices [2, 5, 10] by [-0.781 0.584 -0.173] angstrom in the cif file. | data_image0
_chemical_formula_structural CaMg6FeO8
_chemical_formula_sum "Ca1 Mg6 Fe1 O8"
_cell_length_a 8.71752451
_cell_length_b 4.36413882
_cell_length_c 4.36413882
_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 CaMg6FeO8
_chemical_formula_sum "Ca1 Mg6 Fe1 O8"
_cell_length_a 8.71752451
_cell_length_b 4.36413882
_cell_length_c 4.36413882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | 1459af0c-ede7-4729-88ae-0c3e21537fbc | mp-1030940 | Move atoms at indices [14, 4, 5, 9, 7, 11, 13, 12, 0, 15, 1, 6, 3, 8] by [-0.445 -1.626 3.278] angstrom in the cif file. | data_image0
_chemical_formula_structural KMg6BiO8
_chemical_formula_sum "K1 Mg6 Bi1 O8"
_cell_length_a 9.03070652
_cell_length_b 4.60148896
_cell_length_c 4.60148896
_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 KMg6BiO8
_chemical_formula_sum "K1 Mg6 Bi1 O8"
_cell_length_a 9.03070652
_cell_length_b 4.60148896
_cell_length_c 4.60148896
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | 2177b368-171f-424d-a960-a90c88a1e5b7 | mp-1105973 | Move atoms at indices [10, 1, 6, 11, 12, 15, 0, 9, 4, 3, 13, 7, 2, 14, 5] by [ 1.131 -2.009 2.153] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc4Ag4Se8
_chemical_formula_sum "Sc4 Ag4 Se8"
_cell_length_a 3.99573998
_cell_length_b 6.78147425
_cell_length_c 13.21755954
_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 Sc4Ag4Se8
_chemical_formula_sum "Sc4 Ag4 Se8"
_cell_length_a 3.99573998
_cell_length_b 6.78147425
_cell_length_c 13.21755954
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | 30ab30fd-b66f-42d0-8772-f0c0962a6af7 | mp-1196630 | Move atoms at indices [34, 12, 28, 33, 45, 48, 15, 4, 20, 52, 30, 46, 26, 7, 3, 29, 53] by [-0.773 -0.75 0.165] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveSelectedAtomsAction | 840df1b9-fa89-4ee5-90bd-485ef1ea8145 | mp-768947 | Move atoms at indices [7, 20, 17, 3, 13, 5, 22, 21, 23] by [ 2.296 -1.564 3.032] angstrom in the cif file. | data_image0
_chemical_formula_structural Li10Zn3Ge4O16
_chemical_formula_sum "Li10 Zn3 Ge4 O16"
_cell_length_a 5.231285
_cell_length_b 6.39117044
_cell_length_c 10.99877016
_cell_angle_alpha 90.21476274
_cell_angle_beta 90.37445161
_cell_angle_gamma 90.42332329000001
_spa... | data_image0
_chemical_formula_structural Li10Zn3Ge4O16
_chemical_formula_sum "Li10 Zn3 Ge4 O16"
_cell_length_a 5.231285
_cell_length_b 6.39117044
_cell_length_c 10.99877016
_cell_angle_alpha 90.21476274
_cell_angle_beta 90.37445161
_cell_angle_gamma 90.42332329000001
_spa... |
MoveSelectedAtomsAction | 3c38f564-416c-464e-b4d5-0fc9e56f1238 | mp-766509 | Move atoms at indices [45, 13, 20, 27, 34, 16, 29, 2, 44, 36, 11, 42, 4, 31, 43, 46, 35, 47, 21, 12, 1, 51, 50, 3, 24, 48, 6, 32, 49, 0, 17, 33, 38, 26, 41, 37, 18, 30, 22, 10, 15, 40] by [-1.318 -0.159 -1.011] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Mn3VP4C4O28
_chemical_formula_sum "Li12 Mn3 V1 P4 C4 O28"
_cell_length_a 6.62103
_cell_length_b 8.529274
_cell_length_c 10.00008452
_cell_angle_alpha 85.44371267
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Li12Mn3VP4C4O28
_chemical_formula_sum "Li12 Mn3 V1 P4 C4 O28"
_cell_length_a 6.62103
_cell_length_b 8.529274
_cell_length_c 10.00008452
_cell_angle_alpha 85.44371267
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveSelectedAtomsAction | aa2c8e93-136c-443b-8119-8a95425c291c | mp-758323 | Move atoms at indices [0, 15, 33, 30, 20, 2, 14, 19, 31, 35, 25, 13, 1, 6, 34] by [-0.797 -0.128 -0.254] angstrom in the cif file. | 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 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... |
MoveSelectedAtomsAction | 1e9c694c-106d-4f70-b786-d8bbf2c15d70 | mp-757107 | Move atoms at indices [6, 11, 25, 7, 18, 3, 21, 15, 0, 19, 8, 2, 5] by [ 0.901 -1.197 -2.353] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe4Si4O14
_chemical_formula_sum "Li4 Fe4 Si4 O14"
_cell_length_a 4.93703652
_cell_length_b 13.34065991
_cell_length_c 4.9369259
_cell_angle_alpha 90.04725306
_cell_angle_beta 61.83299907
_cell_angle_gamma 89.92760327000002
_spac... | data_image0
_chemical_formula_structural Li4Fe4Si4O14
_chemical_formula_sum "Li4 Fe4 Si4 O14"
_cell_length_a 4.93703652
_cell_length_b 13.34065991
_cell_length_c 4.9369259
_cell_angle_alpha 90.04725306
_cell_angle_beta 61.83299907
_cell_angle_gamma 89.92760327000002
_spac... |
MoveSelectedAtomsAction | b3e5994f-fd9e-4085-9606-33ac9ab93be1 | mp-1182357 | Move atoms at indices [14, 0, 10, 6, 15, 2, 13] by [-2.172 -1.596 1.918] angstrom in the cif file. | data_image0
_chemical_formula_structural BH12C3N
_chemical_formula_sum "B1 H12 C3 N1"
_cell_length_a 6.05032619
_cell_length_b 6.05032619
_cell_length_c 6.0503269
_cell_angle_alpha 108.44712973
_cell_angle_beta 108.44712973
_cell_angle_gamma 108.44713410999998
_space_grou... | data_image0
_chemical_formula_structural BH12C3N
_chemical_formula_sum "B1 H12 C3 N1"
_cell_length_a 6.05032619
_cell_length_b 6.05032619
_cell_length_c 6.0503269
_cell_angle_alpha 108.44712973
_cell_angle_beta 108.44712973
_cell_angle_gamma 108.44713410999998
_space_grou... |
MoveSelectedAtomsAction | 8373b8ef-40b7-4a1f-84f6-e841b501ebb9 | mp-1208067 | Move atoms at indices [14, 4, 7, 10, 5, 17, 6, 8, 18, 0, 1] by [-0.591 -1.964 1.11 ] angstrom in the cif file. | 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 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... |
MoveSelectedAtomsAction | c9e26f55-0cae-43cf-9242-2487ecc96702 | mp-1236434 | Move atoms at indices [1, 15, 0, 10, 8, 13, 14, 5] by [-1.051 1.324 4.071] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.837192... | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.837192... |
MoveSelectedAtomsAction | b3bd0386-6525-4ce5-b7a6-cfc4aea38ba9 | mp-1202130 | Move atoms at indices [25, 20, 30, 12, 5, 31, 46, 32, 33, 8, 35, 29, 14, 27, 6, 34, 44, 9, 26, 22, 2, 43, 40, 36, 3] by [ 0.94 -1.155 -0.497] angstrom in the cif file. | data_image0
_chemical_formula_structural K4U4Se8O32
_chemical_formula_sum "K4 U4 Se8 O32"
_cell_length_a 10.240241
_cell_length_b 9.050216
_cell_length_c 12.85625632
_cell_angle_alpha 49.27693034999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K4U4Se8O32
_chemical_formula_sum "K4 U4 Se8 O32"
_cell_length_a 10.240241
_cell_length_b 9.050216
_cell_length_c 12.85625632
_cell_angle_alpha 49.27693034999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 5ebe655f-1d27-4971-ac4e-ccd52a639c22 | mp-23180 | Move atoms at indices [9] by [-0.222 4.065 -1.255] angstrom in the cif file. | data_image0
_chemical_formula_structural In10Bi6
_chemical_formula_sum "In10 Bi6"
_cell_length_a 8.99298709
_cell_length_b 8.99298709
_cell_length_c 8.99298709
_cell_angle_alpha 124.13612909
_cell_angle_beta 124.13612909
_cell_angle_gamma 82.97386521999998
_space_group_na... | data_image0
_chemical_formula_structural In10Bi6
_chemical_formula_sum "In10 Bi6"
_cell_length_a 8.99298709
_cell_length_b 8.99298709
_cell_length_c 8.99298709
_cell_angle_alpha 124.13612909
_cell_angle_beta 124.13612909
_cell_angle_gamma 82.97386521999998
_space_group_na... |
MoveSelectedAtomsAction | 0d7495ec-0712-45c9-a777-ae521375d2f4 | mp-755150 | Move atoms at indices [10, 8, 5, 0, 12, 9, 13, 1, 2] by [1.475 0.119 1.78 ] angstrom in the cif file. | data_image0
_chemical_formula_structural LiMn3Ni2O8
_chemical_formula_sum "Li1 Mn3 Ni2 O8"
_cell_length_a 5.95560691
_cell_length_b 5.95560691
_cell_length_c 5.95560691
_cell_angle_alpha 121.21523352000003
_cell_angle_beta 120.47303682
_cell_angle_gamma 88.54526209
_space... | data_image0
_chemical_formula_structural LiMn3Ni2O8
_chemical_formula_sum "Li1 Mn3 Ni2 O8"
_cell_length_a 5.95560691
_cell_length_b 5.95560691
_cell_length_c 5.95560691
_cell_angle_alpha 121.21523352000003
_cell_angle_beta 120.47303682
_cell_angle_gamma 88.54526209
_space... |
MoveSelectedAtomsAction | 0fa66d67-8411-4ca3-b55d-2e8c61b8ef9c | mp-1029422 | Move atoms at indices [10, 9, 4, 8] by [4.559 1.775 1.1 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 501947ee-8937-4402-b491-2c49392ce57d | mp-1222315 | Move atoms at indices [3] by [ 0.355 -0.695 1.596] angstrom in the cif file. | data_image0
_chemical_formula_structural LiLaTi2O6
_chemical_formula_sum "Li1 La1 Ti2 O6"
_cell_length_a 5.50131621
_cell_length_b 5.50131621
_cell_length_c 5.50131621
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural LiLaTi2O6
_chemical_formula_sum "Li1 La1 Ti2 O6"
_cell_length_a 5.50131621
_cell_length_b 5.50131621
_cell_length_c 5.50131621
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveSelectedAtomsAction | 59044d92-db66-47d7-ac08-ba450dd91c7b | mp-1204213 | Move atoms at indices [31, 12, 50, 76, 53, 54, 68, 64, 33, 11, 30, 51, 70, 67, 34, 79, 44, 71, 45, 16, 38, 52, 66, 60, 25, 40, 14, 13, 58, 77, 4, 42, 37, 69, 43, 24] by [ 0.174 -1.568 -0.853] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Nb4S14O60
_chemical_formula_sum "Tb4 Nb4 S14 O60"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_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 Tb4Nb4S14O60
_chemical_formula_sum "Tb4 Nb4 S14 O60"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | 2f1af2c0-31a4-4780-839b-3f9afdf9f18c | mp-769628 | Move atoms at indices [8, 21, 29, 22, 4, 26, 12, 23, 18, 17, 27, 1, 16, 14, 24, 19, 25, 13, 2, 10, 30] by [-0.475 2.097 2.532] angstrom in the cif file. | 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 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... |
MoveSelectedAtomsAction | 2bcd6206-0f76-46ef-b324-51e8562a3b95 | mp-569299 | Move atoms at indices [16, 0, 13, 4, 2, 17, 8, 9, 7, 3, 11, 14, 1, 19, 10, 6, 12] by [ 1.153 0.072 -0.734] angstrom in the cif file. | data_image0
_chemical_formula_structural Be4B8C8
_chemical_formula_sum "Be4 B8 C8"
_cell_length_a 4.701496
_cell_length_b 5.433968
_cell_length_c 6.133034
_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 Be4B8C8
_chemical_formula_sum "Be4 B8 C8"
_cell_length_a 4.701496
_cell_length_b 5.433968
_cell_length_c 6.133034
_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... |
MoveSelectedAtomsAction | 7c1f000b-9b02-41b5-9bbd-b704a3074824 | mp-1212808 | Move atoms at indices [2, 1, 9, 8] by [1.327 2.83 1.765] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy8Rh2
_chemical_formula_sum "Dy8 Rh2"
_cell_length_a 7.58914232
_cell_length_b 7.5891423200000006
_cell_length_c 7.589142319999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural Dy8Rh2
_chemical_formula_sum "Dy8 Rh2"
_cell_length_a 7.58914232
_cell_length_b 7.5891423200000006
_cell_length_c 7.589142319999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... |
MoveSelectedAtomsAction | 41b9fb84-9f6d-4d17-a06f-24812825c583 | mp-1173625 | Move atoms at indices [7, 22, 88] by [-1.709 -2.67 -2.573] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr20Mg6Fe4Mo10O60
_chemical_formula_sum "Sr20 Mg6 Fe4 Mo10 O60"
_cell_length_a 5.65487814
_cell_length_b 56.61730067
_cell_length_c 5.668843420000001
_cell_angle_alpha 119.77604449
_cell_angle_beta 119.74319130000002
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr20Mg6Fe4Mo10O60
_chemical_formula_sum "Sr20 Mg6 Fe4 Mo10 O60"
_cell_length_a 5.65487814
_cell_length_b 56.61730067
_cell_length_c 5.668843420000001
_cell_angle_alpha 119.77604449
_cell_angle_beta 119.74319130000002
_cell_angle_gamma ... |
MoveSelectedAtomsAction | 9878d457-510f-4015-aefb-d44b78794254 | mp-755804 | Move atoms at indices [2, 4, 14, 9, 15, 17, 10, 7, 5, 13, 16] by [ 1.337 -0.203 -0.708] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu6TeO12
_chemical_formula_sum "Lu6 Te1 O12"
_cell_length_a 6.27780857
_cell_length_b 6.27780881
_cell_length_c 6.27780799
_cell_angle_alpha 98.83322104
_cell_angle_beta 98.83322721000002
_cell_angle_gamma 98.83321398
_space_group_... | data_image0
_chemical_formula_structural Lu6TeO12
_chemical_formula_sum "Lu6 Te1 O12"
_cell_length_a 6.27780857
_cell_length_b 6.27780881
_cell_length_c 6.27780799
_cell_angle_alpha 98.83322104
_cell_angle_beta 98.83322721000002
_cell_angle_gamma 98.83321398
_space_group_... |
MoveSelectedAtomsAction | 450248c0-5798-48ce-8d31-d2444489960c | mp-1180177 | Move atoms at indices [12, 5, 19, 17, 11, 18, 14, 7, 1, 13, 9, 0, 10, 15, 4] by [-1.129 -0.68 -1.429] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4N4Cl12
_chemical_formula_sum "Mn4 N4 Cl12"
_cell_length_a 6.64319472
_cell_length_b 6.64319472
_cell_length_c 9.495138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.34296178
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mn4N4Cl12
_chemical_formula_sum "Mn4 N4 Cl12"
_cell_length_a 6.64319472
_cell_length_b 6.64319472
_cell_length_c 9.495138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.34296178
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 68dab5ef-aae7-4e3c-a832-17c07fadf79a | mp-1213024 | Move atoms at indices [7, 23, 9, 20, 3, 12, 25, 18, 27, 26, 22, 6, 5, 8, 17, 1, 16, 14, 21, 11, 0, 24] by [1.195 1.296 1.403] angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Ge6Pt18
_chemical_formula_sum "Er4 Ge6 Pt18"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.213991459999995
_space_g... | data_image0
_chemical_formula_structural Er4Ge6Pt18
_chemical_formula_sum "Er4 Ge6 Pt18"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.213991459999995
_space_g... |
MoveSelectedAtomsAction | 02a07705-d334-4c60-a48c-2fdca824ab53 | mp-642735 | Move atoms at indices [4, 10, 6, 12, 9, 11] by [-2.983 -2.248 0.134] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveSelectedAtomsAction | 5bd4d4be-5a4d-4706-9983-bf3613f32d36 | mp-2217675 | Move atoms at indices [1, 8, 9, 3, 2, 10, 5] by [-2.441 1.099 -0.734] angstrom in the cif file. | 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 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... |
MoveSelectedAtomsAction | 1b932c7f-b343-4bb6-b80c-888b4edbc565 | mp-18411 | Move atoms at indices [23, 11, 17, 27, 22, 12, 7, 4, 19, 15, 13, 24, 0, 1, 5, 2, 20, 21, 25, 26, 8, 14, 18] by [-0.568 -0.978 0.277] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Ge4Se12
_chemical_formula_sum "Na12 Ge4 Se12"
_cell_length_a 11.90035661
_cell_length_b 8.2376087
_cell_length_c 8.37020124
_cell_angle_alpha 60.720833670000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na12Ge4Se12
_chemical_formula_sum "Na12 Ge4 Se12"
_cell_length_a 11.90035661
_cell_length_b 8.2376087
_cell_length_c 8.37020124
_cell_angle_alpha 60.720833670000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveSelectedAtomsAction | 79e0c5db-14ba-4023-843a-06a1b5398332 | mp-752888 | Move atoms at indices [10, 0, 3, 8] by [-1.083 -1.773 -0.832] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cu2Si2O8
_chemical_formula_sum "Li4 Cu2 Si2 O8"
_cell_length_a 5.27264671
_cell_length_b 5.27264671
_cell_length_c 6.30294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.70135550000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Cu2Si2O8
_chemical_formula_sum "Li4 Cu2 Si2 O8"
_cell_length_a 5.27264671
_cell_length_b 5.27264671
_cell_length_c 6.30294
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.70135550000002
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | b6249d00-c86d-4de8-899f-fb032b1d1a9f | mp-735491 | Move atoms at indices [41, 28, 13, 35, 5, 15, 21, 27, 39, 2, 44, 43, 1, 24, 42, 30, 3, 26, 40, 0, 18, 23, 32, 31, 38, 33, 8, 4, 11, 16, 6, 19] by [ 0.905 -0.652 -0.845] angstrom in the cif file. | data_image0
_chemical_formula_structural CaMg2H24Cl6O12
_chemical_formula_sum "Ca1 Mg2 H24 Cl6 O12"
_cell_length_a 8.277824
_cell_length_b 8.954916900000002
_cell_length_c 13.061188509999997
_cell_angle_alpha 106.75466694
_cell_angle_beta 90.4882698
_cell_angle_gamma 107.1... | data_image0
_chemical_formula_structural CaMg2H24Cl6O12
_chemical_formula_sum "Ca1 Mg2 H24 Cl6 O12"
_cell_length_a 8.277824
_cell_length_b 8.954916900000002
_cell_length_c 13.061188509999997
_cell_angle_alpha 106.75466694
_cell_angle_beta 90.4882698
_cell_angle_gamma 107.1... |
MoveSelectedAtomsAction | b2408e84-def7-45ed-ba65-d1c631e51744 | mp-1028424 | Move atoms at indices [5, 9, 14, 4, 13, 0, 12, 10, 15] by [-1.504 -1.944 0.498] angstrom in the cif file. | data_image0
_chemical_formula_structural CsMg14Co
_chemical_formula_sum "Cs1 Mg14 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural CsMg14Co
_chemical_formula_sum "Cs1 Mg14 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 0b45b47f-8034-424b-b5d2-c5581750deec | mp-1233972 | Move atoms at indices [17, 36, 16, 14, 29, 1, 27, 40, 4, 21, 24, 26, 15, 0, 19, 35, 3, 12, 32, 18, 37, 2, 13, 10, 23, 7, 5, 9, 31, 33, 39, 22, 11, 20, 25, 8, 28, 6, 38, 30, 34] by [-0.993 -1.131 0.325] angstrom in the cif file. | data_image0
_chemical_formula_structural K2MgFe4P6O16F12
_chemical_formula_sum "K2 Mg1 Fe4 P6 O16 F12"
_cell_length_a 7.43008289
_cell_length_b 7.97766556
_cell_length_c 10.67987818
_cell_angle_alpha 100.48071168
_cell_angle_beta 109.86194711999998
_cell_angle_gamma 91.902... | data_image0
_chemical_formula_structural K2MgFe4P6O16F12
_chemical_formula_sum "K2 Mg1 Fe4 P6 O16 F12"
_cell_length_a 7.43008289
_cell_length_b 7.97766556
_cell_length_c 10.67987818
_cell_angle_alpha 100.48071168
_cell_angle_beta 109.86194711999998
_cell_angle_gamma 91.902... |
MoveSelectedAtomsAction | c56e94dd-94a3-4e6e-ab56-2679dc28b2cc | mp-22850 | Move atoms at indices [11, 3, 7, 6, 8, 0, 12, 13, 5, 2, 10] by [-3.922 -1.389 -1.086] angstrom in the cif file. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 5.67615011
_cell_length_b 6.23663128
_cell_length_c 10.767188719999998
_cell_angle_alpha 89.99988935
_cell_angle_beta 89.99997873999999
_cell_angle_gamma 90.16930695
_space_gr... | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 5.67615011
_cell_length_b 6.23663128
_cell_length_c 10.767188719999998
_cell_angle_alpha 89.99988935
_cell_angle_beta 89.99997873999999
_cell_angle_gamma 90.16930695
_space_gr... |
MoveSelectedAtomsAction | f4e10bb9-4e57-474b-949e-ecb717b01e95 | mp-1179847 | Move atoms at indices [11, 14, 13, 15, 9, 4, 17, 10, 2, 3, 7, 0] by [-1.941 -1.448 -1.89 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Pt4N8Cl8
_chemical_formula_sum "Pt4 N8 Cl8"
_cell_length_a 5.209054
_cell_length_b 9.201537
_cell_length_c 9.42545
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... | data_image0
_chemical_formula_structural Pt4N8Cl8
_chemical_formula_sum "Pt4 N8 Cl8"
_cell_length_a 5.209054
_cell_length_b 9.201537
_cell_length_c 9.42545
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... |
MoveSelectedAtomsAction | 943692b5-63bd-442d-8761-7034c2696dac | mp-758641 | Move atoms at indices [9, 19, 31, 15, 25, 34, 17, 4, 33, 29, 36] by [-2.68 1.913 -0.217] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe4Ni10O24
_chemical_formula_sum "Li8 Fe4 Ni10 O24"
_cell_length_a 8.881747
_cell_length_b 5.034984
_cell_length_c 9.77686885
_cell_angle_alpha 79.35162121
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Fe4Ni10O24
_chemical_formula_sum "Li8 Fe4 Ni10 O24"
_cell_length_a 8.881747
_cell_length_b 5.034984
_cell_length_c 9.77686885
_cell_angle_alpha 79.35162121
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 6da66120-0b8f-47ec-b6b7-ccdf85d4f3a4 | mp-772952 | Move atoms at indices [29, 41, 8, 37, 22, 15, 25, 28, 23, 34, 45, 38, 7, 39, 6, 43, 16, 46, 52] by [-0.521 -0.93 -2.913] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V12Sn4O32
_chemical_formula_sum "Li8 V12 Sn4 O32"
_cell_length_a 8.510521
_cell_length_b 8.510521
_cell_length_c 8.510521
_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 Li8V12Sn4O32
_chemical_formula_sum "Li8 V12 Sn4 O32"
_cell_length_a 8.510521
_cell_length_b 8.510521
_cell_length_c 8.510521
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | 05d64430-f934-425d-8eb6-3c9ddd707895 | mp-1111040 | Move atoms at indices [4, 1, 5] by [-0.271 -4.735 -1.69 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2HgBiI6
_chemical_formula_sum "Rb2 Hg1 Bi1 I6"
_cell_length_a 8.80678303
_cell_length_b 8.80678303
_cell_length_c 8.80678303
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Rb2HgBiI6
_chemical_formula_sum "Rb2 Hg1 Bi1 I6"
_cell_length_a 8.80678303
_cell_length_b 8.80678303
_cell_length_c 8.80678303
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... |
MoveSelectedAtomsAction | fdfe4104-840d-49b3-b738-68a3ffe7d908 | mp-1216284 | Move atoms at indices [7, 8, 15, 16, 11, 18, 23, 20, 5, 21, 19, 3, 22, 1, 14, 17, 12, 0, 2, 13, 4, 6, 9, 10] by [ 1.881 -0.272 1.773] angstrom in the cif file. | data_image0
_chemical_formula_structural V4Re4O16
_chemical_formula_sum "V4 Re4 O16"
_cell_length_a 4.77833602
_cell_length_b 7.50857354
_cell_length_c 7.50850184
_cell_angle_alpha 100.99219614000002
_cell_angle_beta 91.2023349
_cell_angle_gamma 91.20688056
_space_group_n... | data_image0
_chemical_formula_structural V4Re4O16
_chemical_formula_sum "V4 Re4 O16"
_cell_length_a 4.77833602
_cell_length_b 7.50857354
_cell_length_c 7.50850184
_cell_angle_alpha 100.99219614000002
_cell_angle_beta 91.2023349
_cell_angle_gamma 91.20688056
_space_group_n... |
MoveSelectedAtomsAction | b1252053-d75d-4c79-bb0a-ca6b217af72f | mp-1048483 | Move atoms at indices [5, 3, 0, 10, 2, 1] by [ 0.479 -0.715 0.658] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2AlNi3O7
_chemical_formula_sum "Ba2 Al1 Ni3 O7"
_cell_length_a 3.750112
_cell_length_b 3.911509
_cell_length_c 11.334825
_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 Ba2AlNi3O7
_chemical_formula_sum "Ba2 Al1 Ni3 O7"
_cell_length_a 3.750112
_cell_length_b 3.911509
_cell_length_c 11.334825
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveSelectedAtomsAction | 497b5e7e-7568-482f-83b1-eb080300fd60 | mp-1196290 | Move atoms at indices [32, 38, 46, 31, 44, 42, 30, 26, 47, 34, 2, 25, 1, 23, 35, 24, 11, 9, 16, 13, 27, 37, 45, 4, 10, 3, 33, 21, 40, 28, 22, 20, 41, 36, 39, 5, 0, 7, 17, 6] by [-0.753 -0.893 2.178] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge4P8O36
_chemical_formula_sum "Ge4 P8 O36"
_cell_length_a 4.876505
_cell_length_b 8.41757901
_cell_length_c 15.602034999999999
_cell_angle_alpha 99.61125826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ge4P8O36
_chemical_formula_sum "Ge4 P8 O36"
_cell_length_a 4.876505
_cell_length_b 8.41757901
_cell_length_c 15.602034999999999
_cell_angle_alpha 99.61125826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 72d43e8f-f6d9-451e-93e8-3db9afa1c08b | mp-532700 | Move atoms at indices [1, 13, 47, 54, 45, 0, 82, 12, 59, 57, 24, 35, 3, 83, 58, 56, 18, 10, 67, 74, 33, 65, 73, 9, 39, 75, 64, 17, 77, 66, 16, 25, 55, 69, 27, 20, 26, 44, 7, 19, 32, 6, 49, 71, 50, 62, 68, 43, 80, 30, 14, 5, 60, 41, 78, 34, 63, 48, 21, 61, 23, 31, 4, 15, 2, 40, 72, 70, 51, 79, 81, 42, 37, 22, 36, 8, 53,... | data_image0
_chemical_formula_structural Sr3La21Zn2Cu10O48
_chemical_formula_sum "Sr3 La21 Zn2 Cu10 O48"
_cell_length_a 5.36805
_cell_length_b 5.533925
_cell_length_c 39.24638072
_cell_angle_alpha 89.80141967
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Sr3La21Zn2Cu10O48
_chemical_formula_sum "Sr3 La21 Zn2 Cu10 O48"
_cell_length_a 5.36805
_cell_length_b 5.533925
_cell_length_c 39.24638072
_cell_angle_alpha 89.80141967
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveSelectedAtomsAction | dfdf7d17-0409-4ec6-9c7c-f1355cbcd09d | mp-779525 | Move atoms at indices [21, 69, 84] by [ 0.051 -2.173 -0.194] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Sb6P16O58
_chemical_formula_sum "Li6 Sb6 P16 O58"
_cell_length_a 9.81431617
_cell_length_b 9.814316169999998
_cell_length_c 14.34933458
_cell_angle_alpha 89.75970408
_cell_angle_beta 89.75970408
_cell_angle_gamma 60.18746356
_sp... | data_image0
_chemical_formula_structural Li6Sb6P16O58
_chemical_formula_sum "Li6 Sb6 P16 O58"
_cell_length_a 9.81431617
_cell_length_b 9.814316169999998
_cell_length_c 14.34933458
_cell_angle_alpha 89.75970408
_cell_angle_beta 89.75970408
_cell_angle_gamma 60.18746356
_sp... |
MoveSelectedAtomsAction | bac8ac4b-edd3-4fb6-930f-bb173dec400f | mp-1020620 | Move atoms at indices [28, 32, 39, 24, 11, 1, 40, 30, 12, 26, 33, 8, 35, 4, 14, 0, 19, 6, 34, 17, 7] by [ 0.8 2.422 -2.228] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb5Li6B11O22
_chemical_formula_sum "Rb5 Li6 B11 O22"
_cell_length_a 6.9108715
_cell_length_b 6.910871500000001
_cell_length_c 13.90918786
_cell_angle_alpha 75.49352378
_cell_angle_beta 75.49352378
_cell_angle_gamma 62.92486309999999... | data_image0
_chemical_formula_structural Rb5Li6B11O22
_chemical_formula_sum "Rb5 Li6 B11 O22"
_cell_length_a 6.9108715
_cell_length_b 6.910871500000001
_cell_length_c 13.90918786
_cell_angle_alpha 75.49352378
_cell_angle_beta 75.49352378
_cell_angle_gamma 62.92486309999999... |
MoveSelectedAtomsAction | d95c9f45-cd21-48b5-ae12-3726f21f8eca | mp-722910 | Move atoms at indices [4, 12, 31, 18, 30, 8, 6, 13, 5, 19] by [-1.001 -0.943 -0.427] angstrom in the cif file. | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 1d97b843-efce-47e7-ab49-fce5c84ce4a5 | mp-2452 | Move atoms at indices [1] by [ 1.327 -2.107 2.002] angstrom in the cif file. | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... |
MoveSelectedAtomsAction | 7302db7c-9ab0-422a-ac99-b4d85c6f2d78 | mp-2747986 | Move atoms at indices [6, 5, 4, 1] by [1.295 2.304 1.666] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2U4O12
_chemical_formula_sum "Cs2 U4 O12"
_cell_length_a 7.91228418
_cell_length_b 7.91201927
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_cell_angle_gamma 60.41923994999999
_space_group_n... | data_image0
_chemical_formula_structural Cs2U4O12
_chemical_formula_sum "Cs2 U4 O12"
_cell_length_a 7.91228418
_cell_length_b 7.91201927
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_cell_angle_gamma 60.41923994999999
_space_group_n... |
MoveSelectedAtomsAction | 4b21e73b-df56-4c4d-b228-5dbd5404a5a6 | mp-22663 | Move atoms at indices [13, 1, 16, 15, 3, 7, 14, 6, 18, 4] by [-0.55 -0.373 -2.092] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Li2Fe2F12
_chemical_formula_sum "Rb4 Li2 Fe2 F12"
_cell_length_a 10.3533976
_cell_length_b 10.3533976
_cell_length_c 10.3533979
_cell_angle_alpha 33.65900677
_cell_angle_beta 33.65900677000001
_cell_angle_gamma 33.65901299999999
... | data_image0
_chemical_formula_structural Rb4Li2Fe2F12
_chemical_formula_sum "Rb4 Li2 Fe2 F12"
_cell_length_a 10.3533976
_cell_length_b 10.3533976
_cell_length_c 10.3533979
_cell_angle_alpha 33.65900677
_cell_angle_beta 33.65900677000001
_cell_angle_gamma 33.65901299999999
... |
MoveSelectedAtomsAction | 3e9f83bf-90ed-4900-84ed-1183d7e266c8 | mp-10935 | Move atoms at indices [1, 4, 6, 15] by [-1.019 -3.747 1.315] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Er2P2O8F2
_chemical_formula_sum "Na2 Er2 P2 O8 F2"
_cell_length_a 5.66893758
_cell_length_b 5.66893758
_cell_length_c 6.50182419
_cell_angle_alpha 77.28592238000002
_cell_angle_beta 77.28592238000002
_cell_angle_gamma 75.5885696
... | data_image0
_chemical_formula_structural Na2Er2P2O8F2
_chemical_formula_sum "Na2 Er2 P2 O8 F2"
_cell_length_a 5.66893758
_cell_length_b 5.66893758
_cell_length_c 6.50182419
_cell_angle_alpha 77.28592238000002
_cell_angle_beta 77.28592238000002
_cell_angle_gamma 75.5885696
... |
MoveSelectedAtomsAction | 0e0019b8-bdeb-447c-b5d2-594641673c67 | mp-779533 | Move atoms at indices [5, 11, 26, 14, 1, 0, 2, 22, 6] by [-2.705 1.567 0.724] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba12Br8O8
_chemical_formula_sum "Ba12 Br8 O8"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Ba12Br8O8
_chemical_formula_sum "Ba12 Br8 O8"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
MoveSelectedAtomsAction | 35d2e1bc-6c1f-4c05-b01f-92f789f4d2dd | mp-601716 | Move atoms at indices [4, 22, 13, 27, 12, 16, 15, 3, 10] by [-0.118 0.915 0.091] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe4Bi4Sb4S16
_chemical_formula_sum "Fe4 Bi4 Sb4 S16"
_cell_length_a 3.652695
_cell_length_b 11.587656
_cell_length_c 13.842758
_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 Fe4Bi4Sb4S16
_chemical_formula_sum "Fe4 Bi4 Sb4 S16"
_cell_length_a 3.652695
_cell_length_b 11.587656
_cell_length_c 13.842758
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | b9148baf-eb07-4e3c-955a-a33e836514a7 | mp-19808 | Move atoms at indices [4, 7, 2, 6, 9] by [ 0.2 3.846 -1.19 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu2Zn4Ge4
_chemical_formula_sum "Eu2 Zn4 Ge4"
_cell_length_a 4.31729603
_cell_length_b 4.31729603
_cell_length_c 10.51005343
_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 Eu2Zn4Ge4
_chemical_formula_sum "Eu2 Zn4 Ge4"
_cell_length_a 4.31729603
_cell_length_b 4.31729603
_cell_length_c 10.51005343
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | 5f5f3a08-3f4a-45ac-a7ad-3f076fac6953 | mp-780186 | Move atoms at indices [14, 28, 30, 15, 6] by [0.423 0.329 0.1 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn10O20
_chemical_formula_sum "Li9 Mn10 O20"
_cell_length_a 5.130761
_cell_length_b 7.95721245
_cell_length_c 10.58464303
_cell_angle_alpha 105.63652019
_cell_angle_beta 101.21512979
_cell_angle_gamma 105.78322504
_space_group_n... | data_image0
_chemical_formula_structural Li9Mn10O20
_chemical_formula_sum "Li9 Mn10 O20"
_cell_length_a 5.130761
_cell_length_b 7.95721245
_cell_length_c 10.58464303
_cell_angle_alpha 105.63652019
_cell_angle_beta 101.21512979
_cell_angle_gamma 105.78322504
_space_group_n... |
MoveSelectedAtomsAction | c9de44d4-5140-44b4-8b29-4a342e079869 | mp-765943 | Move atoms at indices [7, 6, 8, 22, 27, 37, 12, 19, 10, 32, 36, 31, 13, 3, 18, 21, 17, 24, 42, 39, 40, 1, 23, 29, 4, 33, 38, 0, 5, 43] by [2.825 3.56 1.056] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.28340534
_cell_length_b 14.97931066
_cell_length_c 5.89211982
_cell_angle_alpha 100.62400067999998
_cell_angle_beta 91.38468044
_cell_angle_gamma 87.02975482
_spac... | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.28340534
_cell_length_b 14.97931066
_cell_length_c 5.89211982
_cell_angle_alpha 100.62400067999998
_cell_angle_beta 91.38468044
_cell_angle_gamma 87.02975482
_spac... |
MoveSelectedAtomsAction | 566556af-a2f3-49ed-a68f-56fe860e892e | mp-20268 | Move atoms at indices [1, 9, 10, 5] by [-2.719 -3.65 4.795] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... |
MoveSelectedAtomsAction | b042d834-c888-47de-b8f0-31d374c4e370 | mp-17753 | Move atoms at indices [20, 18, 5, 10, 17, 8, 15, 1, 19, 3, 14, 4, 12, 2, 16, 7, 21, 0, 11] by [2.751 1.02 3.551] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd6Ru2O14
_chemical_formula_sum "Nd6 Ru2 O14"
_cell_length_a 6.60662235
_cell_length_b 6.606622350000001
_cell_length_c 7.52891995
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.20727569
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Nd6Ru2O14
_chemical_formula_sum "Nd6 Ru2 O14"
_cell_length_a 6.60662235
_cell_length_b 6.606622350000001
_cell_length_c 7.52891995
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.20727569
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 13b12261-c7a0-49a4-b59d-c5e47fc5276f | mp-35143 | Move atoms at indices [9, 0, 1, 4, 2, 6, 5, 7, 8] by [-0.789 1.962 1.074] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 554990ef-de16-4407-aef0-11c2e5d319a1 | mp-1354855 | Move atoms at indices [22, 18, 8, 34, 3, 17, 0, 11, 30, 28] by [-2.998 -0.204 -1.642] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Ti12O24
_chemical_formula_sum "Ca6 Ti12 O24"
_cell_length_a 6.36776819
_cell_length_b 6.36776819
_cell_length_c 15.235737000000002
_cell_angle_alpha 89.08057055
_cell_angle_beta 89.08057055
_cell_angle_gamma 58.024068789999994
_... | data_image0
_chemical_formula_structural Ca6Ti12O24
_chemical_formula_sum "Ca6 Ti12 O24"
_cell_length_a 6.36776819
_cell_length_b 6.36776819
_cell_length_c 15.235737000000002
_cell_angle_alpha 89.08057055
_cell_angle_beta 89.08057055
_cell_angle_gamma 58.024068789999994
_... |
MoveSelectedAtomsAction | 32be1cef-c10b-4373-8445-b2960f17d680 | mp-1233843 | Move atoms at indices [17, 7, 1, 2, 3] by [ 1.785 -1.321 1.435] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCo6O2F10
_chemical_formula_sum "Mg1 Co6 O2 F10"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_space_... | data_image0
_chemical_formula_structural MgCo6O2F10
_chemical_formula_sum "Mg1 Co6 O2 F10"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_space_... |
MoveSelectedAtomsAction | 38b5dc82-c4a8-4c41-8189-4249e728d17e | mp-1246916 | Move atoms at indices [4, 10, 17, 18, 16, 13, 11] by [-0.936 1.452 2.049] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Ni10N8
_chemical_formula_sum "Mg2 Ni10 N8"
_cell_length_a 7.759587
_cell_length_b 6.009984
_cell_length_c 4.348536
_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 Mg2Ni10N8
_chemical_formula_sum "Mg2 Ni10 N8"
_cell_length_a 7.759587
_cell_length_b 6.009984
_cell_length_c 4.348536
_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... |
MoveSelectedAtomsAction | 22335e9b-1485-4fed-bdb7-bf556dc5ea21 | mp-1043721 | Move atoms at indices [1, 0, 31, 25, 5, 6, 3, 30, 15, 12, 10, 19, 16, 29, 13, 4, 23, 18, 26, 28, 7, 17, 8, 20] by [1.265 3.461 1.466] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Sn4Bi4O20
_chemical_formula_sum "Mg4 Sn4 Bi4 O20"
_cell_length_a 11.054845
_cell_length_b 5.442748
_cell_length_c 8.7199251
_cell_angle_alpha 68.83335382
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Sn4Bi4O20
_chemical_formula_sum "Mg4 Sn4 Bi4 O20"
_cell_length_a 11.054845
_cell_length_b 5.442748
_cell_length_c 8.7199251
_cell_angle_alpha 68.83335382
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 31213a20-d1b1-42ba-b646-19461ebf8c85 | mp-1026795 | Move atoms at indices [9, 1, 5, 13, 4, 10, 6, 2] by [-0.133 0.977 1.986] angstrom in the cif file. | data_image0
_chemical_formula_structural LiMg14W
_chemical_formula_sum "Li1 Mg14 W1"
_cell_length_a 6.29929991
_cell_length_b 6.299299410000001
_cell_length_c 9.95323684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural LiMg14W
_chemical_formula_sum "Li1 Mg14 W1"
_cell_length_a 6.29929991
_cell_length_b 6.299299410000001
_cell_length_c 9.95323684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | a39912b2-6ed5-4b66-a287-4c24f53db14a | mp-763051 | Move atoms at indices [6, 9, 1] by [ 2.065 -0.151 0.074] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 5.13099459
_cell_length_b 5.93920482
_cell_length_c 7.86264398
_cell_angle_alpha 100.88303528999998
_cell_angle_beta 70.52889016
_cell_angle_gamma 90.00075203
_space_gro... | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 5.13099459
_cell_length_b 5.93920482
_cell_length_c 7.86264398
_cell_angle_alpha 100.88303528999998
_cell_angle_beta 70.52889016
_cell_angle_gamma 90.00075203
_space_gro... |
MoveSelectedAtomsAction | cf95f8d3-82c7-4ddf-b9ea-996ef426361c | mp-1227489 | Move atoms at indices [25, 24, 56, 48, 27, 17, 30, 40, 41, 59, 18, 2, 31, 43, 33, 14, 54] by [-0.645 -0.272 -2.139] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Al24O38
_chemical_formula_sum "Ca2 Al24 O38"
_cell_length_a 5.61109181
_cell_length_b 5.61109181
_cell_length_c 22.067731
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ca2Al24O38
_chemical_formula_sum "Ca2 Al24 O38"
_cell_length_a 5.61109181
_cell_length_b 5.61109181
_cell_length_c 22.067731
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779999999
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 09b7f38c-3736-406b-bffa-96f1ed42d965 | mp-759328 | Move atoms at indices [6, 30, 4, 24, 17, 1, 10, 7, 26, 12, 11, 23, 20, 21] by [ 2.721 -0.846 4.625] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti4V6O20
_chemical_formula_sum "Li4 Ti4 V6 O20"
_cell_length_a 5.14849813
_cell_length_b 7.73748258
_cell_length_c 10.46219472
_cell_angle_alpha 104.39594751
_cell_angle_beta 103.46170253
_cell_angle_gamma 78.20151557
_space_gro... | data_image0
_chemical_formula_structural Li4Ti4V6O20
_chemical_formula_sum "Li4 Ti4 V6 O20"
_cell_length_a 5.14849813
_cell_length_b 7.73748258
_cell_length_c 10.46219472
_cell_angle_alpha 104.39594751
_cell_angle_beta 103.46170253
_cell_angle_gamma 78.20151557
_space_gro... |
MoveSelectedAtomsAction | ad1a18e1-b21a-4baf-8060-5ac30351bfed | mp-1217947 | Move atoms at indices [1, 6, 29, 11, 14, 0, 30, 10, 2, 17, 16, 21, 38, 26, 19, 25, 34, 23, 36, 27, 15, 7, 20, 39, 28, 22] by [-2.737 -1.39 -1.905] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveSelectedAtomsAction | 2f4ae89b-03b6-4001-907a-6b0970a76649 | mp-17728 | Move atoms at indices [7, 10, 13, 8, 6] by [0.104 3.471 0.263] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta12Ge4
_chemical_formula_sum "Ta12 Ge4"
_cell_length_a 5.16276376
_cell_length_b 7.76695316
_cell_length_c 7.766400059999999
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467
_cell_angle_gamma 70.59385505
_space_group_name_... | data_image0
_chemical_formula_structural Ta12Ge4
_chemical_formula_sum "Ta12 Ge4"
_cell_length_a 5.16276376
_cell_length_b 7.76695316
_cell_length_c 7.766400059999999
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467
_cell_angle_gamma 70.59385505
_space_group_name_... |
MoveSelectedAtomsAction | 822507cd-4866-46b3-b9fb-ab59f181de15 | mp-1191384 | Move atoms at indices [1, 9, 7, 2, 20, 11, 18, 6, 3, 8, 13, 19, 14, 4, 12, 0, 10, 16, 21] by [ 1.352 1.879 -0.496] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4B8H12
_chemical_formula_sum "Ca4 B8 H12"
_cell_length_a 3.639707
_cell_length_b 3.54837387
_cell_length_c 16.44897779
_cell_angle_alpha 90.92026841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca4B8H12
_chemical_formula_sum "Ca4 B8 H12"
_cell_length_a 3.639707
_cell_length_b 3.54837387
_cell_length_c 16.44897779
_cell_angle_alpha 90.92026841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 2eaf623d-b4c8-4d11-8930-40c1bddce1b4 | mp-1213000 | Move atoms at indices [12, 18, 21, 17, 0, 14, 7, 22, 15, 8, 13, 23, 2, 10, 3, 9, 5, 19, 20, 11] by [1.076 1.27 2.993] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu2Ag2W4O16
_chemical_formula_sum "Eu2 Ag2 W4 O16"
_cell_length_a 7.55169242
_cell_length_b 7.551692420000001
_cell_length_c 7.4675343
_cell_angle_alpha 65.51367922
_cell_angle_beta 65.51367922
_cell_angle_gamma 94.10381862
_space_... | data_image0
_chemical_formula_structural Eu2Ag2W4O16
_chemical_formula_sum "Eu2 Ag2 W4 O16"
_cell_length_a 7.55169242
_cell_length_b 7.551692420000001
_cell_length_c 7.4675343
_cell_angle_alpha 65.51367922
_cell_angle_beta 65.51367922
_cell_angle_gamma 94.10381862
_space_... |
MoveSelectedAtomsAction | 031ece33-4123-4669-a633-b9a4f34348c0 | mp-989551 | Move atoms at indices [1, 2, 6, 0, 9, 4, 5, 8] by [ 0.618 -2.492 -1.312] angstrom in the cif file. | data_image0
_chemical_formula_structural LiTl2InF6
_chemical_formula_sum "Li1 Tl2 In1 F6"
_cell_length_a 6.05849797
_cell_length_b 6.05849797
_cell_length_c 6.05849797
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural LiTl2InF6
_chemical_formula_sum "Li1 Tl2 In1 F6"
_cell_length_a 6.05849797
_cell_length_b 6.05849797
_cell_length_c 6.05849797
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
MoveSelectedAtomsAction | 300f44ab-a3f5-4231-8b84-7cb5d6ea97e3 | mp-779858 | Move atoms at indices [29, 20, 8, 6, 36, 11, 37, 21, 1, 43, 40, 14, 18, 32, 33, 39, 0, 35, 4, 13, 15, 10, 3, 26, 42, 16, 30] by [-0.891 2.213 -3.248] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm12Nb4O28
_chemical_formula_sum "Sm12 Nb4 O28"
_cell_length_a 7.6038
_cell_length_b 7.722814
_cell_length_c 10.832305
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Sm12Nb4O28
_chemical_formula_sum "Sm12 Nb4 O28"
_cell_length_a 7.6038
_cell_length_b 7.722814
_cell_length_c 10.832305
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
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