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 |
|---|---|---|---|---|---|
MoveAroundAtomAction | 23c11829-528a-4102-8d83-f1e9a24d1141 | mp-672256 | Move all surrounding atoms within 2.852 angstrom around the center atom at index 30 by [ 2.424 2.121 -0.713] angstrom in the cif file. | data_image0
_chemical_formula_structural Y20Ga12
_chemical_formula_sum "Y20 Ga12"
_cell_length_a 7.6455743
_cell_length_b 7.6455743
_cell_length_c 14.16449461
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Y20Ga12
_chemical_formula_sum "Y20 Ga12"
_cell_length_a 7.6455743
_cell_length_b 7.6455743
_cell_length_c 14.16449461
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveAroundAtomAction | 73227e67-95ab-4c0a-84ca-eb3d6c7aa4c5 | mp-1096957 | Move all surrounding atoms within 3.369 angstrom around the center atom at index 3 by [-2.26 -1.308 1.84 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr24N48
_chemical_formula_sum "Cr24 N48"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural Cr24N48
_chemical_formula_sum "Cr24 N48"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... |
MoveAroundAtomAction | 0034dbf3-8821-47bc-b284-ad2388163d65 | mp-935148 | Move all surrounding atoms within 3.986 angstrom around the center atom at index 17 by [ 2.025 -0.981 0.977] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg20Zn35
_chemical_formula_sum "Mg20 Zn35"
_cell_length_a 13.15153151
_cell_length_b 13.151531510000002
_cell_length_c 14.14062752
_cell_angle_alpha 77.68749914
_cell_angle_beta 77.68749914
_cell_angle_gamma 23.190281420000012
_spa... | data_image0
_chemical_formula_structural Mg20Zn35
_chemical_formula_sum "Mg20 Zn35"
_cell_length_a 13.15153151
_cell_length_b 13.151531510000002
_cell_length_c 14.14062752
_cell_angle_alpha 77.68749914
_cell_angle_beta 77.68749914
_cell_angle_gamma 23.190281420000012
_spa... |
MoveAroundAtomAction | 56515a8d-a2ca-4dd3-99eb-6dc2e96d3e79 | mp-755023 | Move all surrounding atoms within 3.238 angstrom around the center atom at index 0 by [ 2.167 0.43 -2.705] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Mn3O8
_chemical_formula_sum "Mg2 Mn3 O8"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group_name_... | data_image0
_chemical_formula_structural Mg2Mn3O8
_chemical_formula_sum "Mg2 Mn3 O8"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group_name_... |
MoveAroundAtomAction | 636a20ed-c3ab-47c2-9328-74174fbd72ca | mp-1105449 | Move all surrounding atoms within 3.964 angstrom around the center atom at index 1 by [-2.862 0.768 -1.535] 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_... |
MoveAroundAtomAction | 99cc3c22-a249-4442-9d72-57f53caa4878 | mp-1178408 | Move all surrounding atoms within 2.502 angstrom around the center atom at index 16 by [0.58 1.069 2.485] 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 ... |
MoveAroundAtomAction | b60871ae-948c-47de-b4cf-cf05a82c0b30 | mp-1569720 | Move all surrounding atoms within 3.078 angstrom around the center atom at index 21 by [-1.512 -1.907 1.822] 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... |
MoveAroundAtomAction | a871c01e-a67f-40ca-b9e4-acd7060828c6 | mp-1185672 | Move all surrounding atoms within 3.249 angstrom around the center atom at index 23 by [ 0.724 0.248 -0.245] 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... |
MoveAroundAtomAction | 92533644-9831-4565-a2ff-531577a030d7 | mp-757897 | Move all surrounding atoms within 3.808 angstrom around the center atom at index 50 by [-0.927 1.47 -0.443] 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"
_... |
MoveAroundAtomAction | 2e2849b8-8462-4c59-bfb5-c038a6967c94 | mp-1212427 | Move all surrounding atoms within 3.327 angstrom around the center atom at index 4 by [0.696 0.99 1.928] 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_... |
MoveAroundAtomAction | 8af0ace1-a741-48be-954e-1ef09a8188e0 | mp-1853 | Move all surrounding atoms within 2.898 angstrom around the center atom at index 27 by [ 1.163 0.573 -1.355] 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... |
MoveAroundAtomAction | 7009b250-bac0-4b64-aeb5-2dfe1577f36c | mp-1047 | Move all surrounding atoms within 2.894 angstrom around the center atom at index 8 by [-0.562 -1.04 -2.9 ] 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_... |
MoveAroundAtomAction | c003eafd-e261-4876-bb9a-22975c5a24b5 | mp-1224058 | Move all surrounding atoms within 3.495 angstrom around the center atom at index 6 by [-0.705 0.618 2.598] 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 ... |
MoveAroundAtomAction | ee6994e0-8811-4748-a0c4-98c69ad0ebcc | mp-2901360 | Move all surrounding atoms within 3.344 angstrom around the center atom at index 1 by [-0.112 1.26 -2.908] 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 ... |
MoveAroundAtomAction | 293140c6-6501-48bb-9ceb-25b40cddef68 | mp-1201219 | Move all surrounding atoms within 2.381 angstrom around the center atom at index 16 by [-2.818 4.071 0.425] 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... |
MoveAroundAtomAction | a7e44e24-3738-436c-816a-0b8c558b44fd | mp-2217908 | Move all surrounding atoms within 2.111 angstrom around the center atom at index 5 by [-0.145 -1.722 0.376] 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... |
MoveAroundAtomAction | 2bcde66a-2254-45da-b7bc-17e4ce316b83 | mp-18010 | Move all surrounding atoms within 3.086 angstrom around the center atom at index 5 by [-0.496 -0.606 1.991] 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"
... |
MoveAroundAtomAction | 16531b0b-59ec-41e1-b3f1-6ee0952e0aa8 | mp-541520 | Move all surrounding atoms within 1.834 angstrom around the center atom at index 8 by [-0.383 -2.237 -1.189] 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... |
MoveAroundAtomAction | 11b89ad9-de33-4c65-8a6d-ef9c2d5809c2 | mp-3536 | Move all surrounding atoms within 2.312 angstrom around the center atom at index 5 by [ 1.027 -1.523 -0.651] 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... |
MoveAroundAtomAction | 3c138294-cded-4d5b-af8e-223f823c363c | mp-1518357 | Move all surrounding atoms within 2.584 angstrom around the center atom at index 5 by [-0.024 -0.212 -2.613] 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... |
MoveAroundAtomAction | 5cc86089-dd39-4489-a427-fac9e9960471 | mp-1226598 | Move all surrounding atoms within 3.896 angstrom around the center atom at index 3 by [-0.003 -1.59 -1.851] 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... |
MoveAroundAtomAction | 911d6bd6-6c44-4e66-a956-4eea992d8b1c | mp-1276118 | Move all surrounding atoms within 3.096 angstrom around the center atom at index 8 by [ 1.929 0.821 -0.12 ] 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... |
MoveAroundAtomAction | b91fdf03-89cb-4ce1-a8b5-722f9b4ae6ee | mp-568234 | Move all surrounding atoms within 3.629 angstrom around the center atom at index 9 by [1.676 0.846 4.298] 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... |
MoveAroundAtomAction | 3d029d6e-be13-4a26-8bd7-a8480afc0f56 | mp-1196042 | Move all surrounding atoms within 1.543 angstrom around the center atom at index 35 by [-1.037 -0.656 -0.487] 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
_... |
MoveAroundAtomAction | feead648-892b-497a-b8f3-8eb57c503ed6 | mp-1105286 | Move all surrounding atoms within 3.729 angstrom around the center atom at index 3 by [2.67 2.461 1.959] 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_... |
MoveAroundAtomAction | c374849c-49d4-4f9f-ac86-0c455f457d20 | mp-1028291 | Move all surrounding atoms within 3.992 angstrom around the center atom at index 0 by [1.366 4.177 0.394] 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 "... |
MoveAroundAtomAction | 5ca9510d-46a3-4edc-9d55-2102a3a1971a | mp-557900 | Move all surrounding atoms within 3.006 angstrom around the center atom at index 24 by [ 4.655 1.591 -2.498] 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_... |
MoveAroundAtomAction | 190e9b50-476e-487b-a616-21eebf030238 | mp-722910 | Move all surrounding atoms within 3.27 angstrom around the center atom at index 4 by [ 0.6 0.091 -0.593] 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 ... |
MoveAroundAtomAction | 4ddee2a8-dd3d-4a14-bfed-894a4059b4d8 | mp-1079659 | Move all surrounding atoms within 2.439 angstrom around the center atom at index 6 by [-1.946 -3.105 0.038] 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... |
MoveAroundAtomAction | 50e82d2d-61e2-4444-9d61-55966df24b13 | mp-1246724 | Move all surrounding atoms within 2.568 angstrom around the center atom at index 18 by [-0.095 0.46 -0.249] 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... |
MoveAroundAtomAction | d8f4b031-68fb-464a-bfe2-5f7ba5caaff5 | mp-1522534 | Move all surrounding atoms within 1.994 angstrom around the center atom at index 9 by [-0.908 1.941 2.873] 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... |
MoveAroundAtomAction | c1e84e85-c1eb-45d3-b6a3-7794d93434b4 | mp-1217053 | Move all surrounding atoms within 3.776 angstrom around the center atom at index 9 by [ 4.147 -0.894 -1.558] 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... |
MoveAroundAtomAction | b447e5f6-07de-4092-bf10-af1095490b76 | mp-771953 | Move all surrounding atoms within 2.277 angstrom around the center atom at index 5 by [ 0.277 0.274 -0.925] 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 ... |
MoveAroundAtomAction | 411e7bf4-b2c6-4035-912c-108b33e892b6 | mp-765360 | Move all surrounding atoms within 3.353 angstrom around the center atom at index 15 by [2.537 0.455 0.279] 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... |
MoveAroundAtomAction | 8cd142f3-6fbe-48fb-8aee-6bcca932cdac | mp-1227224 | Move all surrounding atoms within 3.287 angstrom around the center atom at index 5 by [-0.098 -2.426 2.14 ] 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... |
MoveAroundAtomAction | 44968212-10e6-4e4c-b995-28305ab82558 | mp-1032930 | Move all surrounding atoms within 2.859 angstrom around the center atom at index 14 by [ 1.342 2.315 -0.17 ] 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"
_... |
MoveAroundAtomAction | fdfb9149-28b4-4775-b713-257ee38c00a7 | mp-1030940 | Move all surrounding atoms within 2.591 angstrom around the center atom at index 7 by [1.194 1.127 1.321] 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... |
MoveAroundAtomAction | 0bc2a8a2-9ef2-4470-9adf-73ed3b469dc2 | mp-1105973 | Move all surrounding atoms within 3.494 angstrom around the center atom at index 7 by [ 2.792 0.381 -3.454] 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... |
MoveAroundAtomAction | d4d1696b-aeb2-4999-ae5e-599d639be444 | mp-1196630 | Move all surrounding atoms within 2.481 angstrom around the center atom at index 17 by [-0.98 1.558 -0.433] 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 ... |
MoveAroundAtomAction | 0c913e2d-669e-414f-8d3a-bc2029fe377b | mp-768947 | Move all surrounding atoms within 2.777 angstrom around the center atom at index 16 by [-1.042 -4.045 -1.311] 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... |
MoveAroundAtomAction | 0c5c24ac-e024-4c2c-8e84-c2b284720d18 | mp-766509 | Move all surrounding atoms within 1.955 angstrom around the center atom at index 30 by [-1.079 -2.647 1.373] 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-... |
MoveAroundAtomAction | bb87f932-5d22-4fcd-9c6a-08b19f55bd03 | mp-758323 | Move all surrounding atoms within 3.257 angstrom around the center atom at index 13 by [ 0.45 -0.717 0.469] 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... |
MoveAroundAtomAction | 8bb87803-0a28-4f60-9cf6-97ff12428126 | mp-757107 | Move all surrounding atoms within 3.167 angstrom around the center atom at index 7 by [ 1.369 1.47 -1.923] 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... |
MoveAroundAtomAction | 3ce275f9-1952-43d8-86c0-7c5a23af258b | mp-1182357 | Move all surrounding atoms within 1.618 angstrom around the center atom at index 8 by [ 1.722 1.251 -2.847] 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... |
MoveAroundAtomAction | 1e60131a-b85b-4574-93dd-34214099b1e6 | mp-1208067 | Move all surrounding atoms within 3.898 angstrom around the center atom at index 10 by [-2.832 -1.016 2.244] 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... |
MoveAroundAtomAction | 23320853-72f2-42b0-988b-8db975735ba9 | mp-1236434 | Move all surrounding atoms within 3.358 angstrom around the center atom at index 10 by [ 0.515 -0.414 -1.304] 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... |
MoveAroundAtomAction | bd667a43-753d-4487-a2b5-0ffa4100c625 | mp-1202130 | Move all surrounding atoms within 1.901 angstrom around the center atom at index 37 by [-0.87 -1.515 -0.594] 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... |
MoveAroundAtomAction | dcf9b55e-fbca-46d3-afe3-abb150f6e2e3 | mp-23180 | Move all surrounding atoms within 3.411 angstrom around the center atom at index 11 by [1.086 2.566 0.448] 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... |
MoveAroundAtomAction | 97fabb17-9dc5-46ec-9427-9c6fa07ee9d5 | mp-755150 | Move all surrounding atoms within 2.396 angstrom around the center atom at index 8 by [-0.898 2.03 3.41 ] 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... |
MoveAroundAtomAction | e9106db9-dcb5-4765-9225-3bb750a9bb52 | mp-1029422 | Move all surrounding atoms within 3.213 angstrom around the center atom at index 3 by [ 3.636 2.022 -1.061] 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 ... |
MoveAroundAtomAction | 8ff57b13-b688-4c86-a718-7020b086f00f | mp-1222315 | Move all surrounding atoms within 2.023 angstrom around the center atom at index 2 by [2.657 1.149 3.188] 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... |
MoveAroundAtomAction | 724b142d-16b2-481c-bfe6-acf9a7889803 | mp-1204213 | Move all surrounding atoms within 1.943 angstrom around the center atom at index 21 by [ 2.659 -0.277 -2.721] 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"
_... |
MoveAroundAtomAction | 69d18b9e-e309-4c50-b2da-a165207979e5 | mp-769628 | Move all surrounding atoms within 2.959 angstrom around the center atom at index 21 by [-3.554 1.538 1.988] 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... |
MoveAroundAtomAction | c2012b33-22dd-4855-bbe9-21751b30379a | mp-569299 | Move all surrounding atoms within 2.939 angstrom around the center atom at index 13 by [2.125 1.19 1.295] 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... |
MoveAroundAtomAction | 9d4e0a0d-c04b-476b-b3aa-6c1ccdb37732 | mp-1212808 | Move all surrounding atoms within 3.44 angstrom around the center atom at index 6 by [ 0.41 -0.67 0.653] 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... |
MoveAroundAtomAction | 13e790af-75ab-4d3b-bf9b-d82558c2c6fc | mp-1173625 | Move all surrounding atoms within 3.733 angstrom around the center atom at index 58 by [2.914 1.811 1.491] 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 ... |
MoveAroundAtomAction | 8c15f95a-4fd0-4e25-b8ec-b486acc5015b | mp-755804 | Move all surrounding atoms within 3.811 angstrom around the center atom at index 8 by [-0.71 0.404 1.421] 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_... |
MoveAroundAtomAction | 44d4db40-29fd-4096-91b8-abbb551e566c | mp-1180177 | Move all surrounding atoms within 2.591 angstrom around the center atom at index 15 by [ 2.43 2.324 -0.108] 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"... |
MoveAroundAtomAction | c0a6b285-7f69-43b5-8c17-865073a915b8 | mp-1213024 | Move all surrounding atoms within 3.801 angstrom around the center atom at index 8 by [ 1.692 1.778 -1.515] 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... |
MoveAroundAtomAction | fa695222-a3c2-49a0-9973-58f22fd533b7 | mp-642735 | Move all surrounding atoms within 3.326 angstrom around the center atom at index 0 by [-0.595 -0.385 0.13 ] 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... |
MoveAroundAtomAction | 0ad2315b-b685-45c0-b005-21fd74388935 | mp-2217675 | Move all surrounding atoms within 2.921 angstrom around the center atom at index 5 by [1.945 0.276 0.703] 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... |
MoveAroundAtomAction | 64b111fa-3f81-4f65-a468-9529a79c9c89 | mp-18411 | Move all surrounding atoms within 2.61 angstrom around the center atom at index 18 by [ 0.997 2.239 -2.671] 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... |
MoveAroundAtomAction | 8f31d3f7-4bcd-41b9-970b-fec1e2daa6dd | mp-752888 | Move all surrounding atoms within 2.188 angstrom around the center atom at index 8 by [-2.26 -1.368 1.004] 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... |
MoveAroundAtomAction | 42858bf6-2953-4466-b49f-3dccbd1fbcb1 | mp-735491 | Move all surrounding atoms within 2.211 angstrom around the center atom at index 10 by [ 3.983 -0.59 0.05 ] 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... |
MoveAroundAtomAction | 23c1116a-99ac-4d9f-92fe-b3f697135241 | mp-1028424 | Move all surrounding atoms within 2.931 angstrom around the center atom at index 5 by [0.445 0.253 2.029] 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 "... |
MoveAroundAtomAction | de506497-981b-4219-b335-302064099b8d | mp-1233972 | Move all surrounding atoms within 3.243 angstrom around the center atom at index 2 by [-3.67 -1.995 0.772] 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... |
MoveAroundAtomAction | 58683708-4f37-4b03-8e94-764c52f80c85 | mp-22850 | Move all surrounding atoms within 2.428 angstrom around the center atom at index 0 by [-0.506 1.681 0.728] 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... |
MoveAroundAtomAction | 7ab52154-c5ee-41f4-ab38-0b7b3167e505 | mp-1179847 | Move all surrounding atoms within 2.95 angstrom around the center atom at index 5 by [-0.329 -3.787 -2.63 ] 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_... |
MoveAroundAtomAction | bfc70e13-db9d-4ae6-9e5a-aaf41dd75fa2 | mp-758641 | Move all surrounding atoms within 2.84 angstrom around the center atom at index 16 by [-0.778 2.031 0.815] 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 ... |
MoveAroundAtomAction | 15183c13-8e2e-489b-b4e5-4486b46d3bd2 | mp-772952 | Move all surrounding atoms within 3.509 angstrom around the center atom at index 43 by [ 0.602 -2.845 -0.032] 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... |
MoveAroundAtomAction | 658a0d2d-dd1a-498c-8427-c44e9bd1b80b | mp-1111040 | Move all surrounding atoms within 3.192 angstrom around the center atom at index 4 by [-1.114 2.414 2.054] 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... |
MoveAroundAtomAction | afa70dff-72f9-40fd-8941-f7423624f68e | mp-1216284 | Move all surrounding atoms within 3.189 angstrom around the center atom at index 15 by [-2.373 0.682 -0.642] 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... |
MoveAroundAtomAction | 8448b48a-8cef-45cd-9407-8cf2efd98743 | mp-1048483 | Move all surrounding atoms within 3.569 angstrom around the center atom at index 9 by [ 0.096 -0.426 -3.201] 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... |
MoveAroundAtomAction | b1357110-0e62-4790-88fd-9a41b42eaa88 | mp-1196290 | Move all surrounding atoms within 2.254 angstrom around the center atom at index 33 by [2.746 4.175 0.396] 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 ... |
MoveAroundAtomAction | d596d9ac-9312-473c-a302-8f0a00248aa4 | mp-532700 | Move all surrounding atoms within 2.231 angstrom around the center atom at index 63 by [-1.95 3.507 -0.158] angstrom in the cif file. | 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_... |
MoveAroundAtomAction | f0b637dd-4e89-4db5-892e-b70ffc4f445c | mp-779525 | Move all surrounding atoms within 3.217 angstrom around the center atom at index 60 by [-3.681 -0.463 2.924] 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... |
MoveAroundAtomAction | 3d7555b9-6106-4bee-8bb3-d30ec831cbc7 | mp-1020620 | Move all surrounding atoms within 3.075 angstrom around the center atom at index 19 by [ 0.538 -2.925 -0.155] 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... |
MoveAroundAtomAction | 49010d45-3906-444a-ad20-ac1e70f16e5a | mp-722910 | Move all surrounding atoms within 2.022 angstrom around the center atom at index 28 by [0.54 1.029 2.534] 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 ... |
MoveAroundAtomAction | fb6ffa71-665c-42b9-8fd1-47e0f590d201 | mp-2452 | Move all surrounding atoms within 2.985 angstrom around the center atom at index 1 by [-2.536 -1.205 -1.746] 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... |
MoveAroundAtomAction | f79b647e-0d74-4f4b-89ea-2de12c8975df | mp-2747986 | Move all surrounding atoms within 3.567 angstrom around the center atom at index 16 by [ 2.155 1.753 -0.02 ] 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... |
MoveAroundAtomAction | 40952ed7-2e0e-42c1-86af-622831e865d4 | mp-22663 | Move all surrounding atoms within 3.78 angstrom around the center atom at index 3 by [0.317 1.37 0.277] 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
... |
MoveAroundAtomAction | d7643778-9609-4299-8406-163d127297fc | mp-10935 | Move all surrounding atoms within 3.449 angstrom around the center atom at index 2 by [-3.128 -1.395 -2.257] 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
... |
MoveAroundAtomAction | 4db883ee-a720-472c-9018-44463ddba1b1 | mp-779533 | Move all surrounding atoms within 3.831 angstrom around the center atom at index 6 by [ 1.003 -2.25 -0.541] 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... |
MoveAroundAtomAction | e9c598ec-0139-45cc-910b-c7da7054270e | mp-601716 | Move all surrounding atoms within 3.604 angstrom around the center atom at index 27 by [ 1.704 1.625 -0.335] 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"
_... |
MoveAroundAtomAction | b8289a01-4d1d-405f-b259-1a3adc2be444 | mp-19808 | Move all surrounding atoms within 2.891 angstrom around the center atom at index 4 by [-0.025 0.672 1.183] 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... |
MoveAroundAtomAction | 7154ae9d-5d97-45d5-8edb-8a5728f9ac22 | mp-780186 | Move all surrounding atoms within 2.078 angstrom around the center atom at index 29 by [ 0.661 2.176 -1.446] 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... |
MoveAroundAtomAction | f670394e-0579-49b1-8141-937563be0434 | mp-765943 | Move all surrounding atoms within 2.538 angstrom around the center atom at index 25 by [ 1.692 -1.429 0.567] 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... |
MoveAroundAtomAction | 621a5b1d-3fba-437b-bf5a-14eef9697fa0 | mp-20268 | Move all surrounding atoms within 3.504 angstrom around the center atom at index 2 by [ 0.889 -0.502 0.646] 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
... |
MoveAroundAtomAction | ac4dec07-0ab6-4ff3-8cf0-69af462f5f41 | mp-17753 | Move all surrounding atoms within 3.009 angstrom around the center atom at index 4 by [ 0.35 -1.083 0.872] 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... |
MoveAroundAtomAction | a1c653f8-e15b-4083-aa81-00c5082e5bb7 | mp-35143 | Move all surrounding atoms within 3.125 angstrom around the center atom at index 2 by [-0.333 0.144 3.605] 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 ... |
MoveAroundAtomAction | 475b423e-6f6a-4313-bee2-c944dd7251e3 | mp-1354855 | Move all surrounding atoms within 2.309 angstrom around the center atom at index 29 by [-3.421 -1.051 -5.642] 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
_... |
MoveAroundAtomAction | 79e234f6-99d3-4bdb-bf28-96aafd83e1bb | mp-1233843 | Move all surrounding atoms within 2.396 angstrom around the center atom at index 4 by [-0.898 2.355 1.623] 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_... |
MoveAroundAtomAction | d1c3f75f-94e1-409c-ad64-25aade577596 | mp-1246916 | Move all surrounding atoms within 3.787 angstrom around the center atom at index 11 by [ 2.122 -2.273 1.393] 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... |
MoveAroundAtomAction | 8bd4ebae-4896-4e16-9f14-19d775014528 | mp-1043721 | Move all surrounding atoms within 2.48 angstrom around the center atom at index 20 by [1.915 2.84 1.049] 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 ... |
MoveAroundAtomAction | c9b79497-25e1-4548-94e2-b5ac429789c8 | mp-1026795 | Move all surrounding atoms within 3.911 angstrom around the center atom at index 5 by [ 1.121 -3.811 -1.015] 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 ... |
MoveAroundAtomAction | 5e9b51aa-5c9b-499a-8174-3d5226def137 | mp-763051 | Move all surrounding atoms within 3.194 angstrom around the center atom at index 9 by [-0.572 3.695 1.136] 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... |
MoveAroundAtomAction | bdbb70c2-ddbd-4cec-9b57-43f8facc0b8e | mp-1227489 | Move all surrounding atoms within 3.922 angstrom around the center atom at index 20 by [0.376 2.439 1.503] 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... |
MoveAroundAtomAction | c8ef6143-b8c4-41c6-9aac-a514698312c4 | mp-759328 | Move all surrounding atoms within 3.102 angstrom around the center atom at index 1 by [ 2.216 -0.596 -5.619] 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... |
MoveAroundAtomAction | a737d317-b0c7-43ff-a4f8-14f545301ba5 | mp-1217947 | Move all surrounding atoms within 2.784 angstrom around the center atom at index 12 by [ 2.122 -2.004 0.336] 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... |
MoveAroundAtomAction | cba28bc4-6b65-4174-9177-80de4a213601 | mp-17728 | Move all surrounding atoms within 3.007 angstrom around the center atom at index 7 by [-1.17 0.516 -2.52 ] 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_... |
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