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 | 7582d3a6-af39-4921-b3b1-42676d5dfdfc | mp-732227 | Move all surrounding atoms within 2.973 angstrom around the center atom at index 30 by [-3.312 -0.232 -0.727] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb4As4N4O16F8
_chemical_formula_sum "Sb4 As4 N4 O16 F8"
_cell_length_a 8.603706
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb4As4N4O16F8
_chemical_formula_sum "Sb4 As4 N4 O16 F8"
_cell_length_a 8.603706
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 38fa8d47-5289-4a57-89d3-81789622ac30 | mp-1204213 | Move all surrounding atoms within 3.92 angstrom around the center atom at index 6 by [ 0.693 -3.535 4.109] 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 | 49ec8927-2bfe-45e7-aff4-ff09ad135bf0 | mp-1047596 | Move all surrounding atoms within 3.237 angstrom around the center atom at index 12 by [-0.606 -1.461 -6.428] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4Bi8O16
_chemical_formula_sum "Zn4 Bi8 O16"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_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 Zn4Bi8O16
_chemical_formula_sum "Zn4 Bi8 O16"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_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 | 162b540a-9ea3-4cfa-9270-90ffb57d99ac | mp-850196 | Move all surrounding atoms within 2.924 angstrom around the center atom at index 12 by [-4.927 3.105 1.195] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3V4O11F
_chemical_formula_sum "Li3 V4 O11 F1"
_cell_length_a 4.99065
_cell_length_b 4.99140947
_cell_length_c 10.01822276
_cell_angle_alpha 90.50587362
_cell_angle_beta 97.97861366
_cell_angle_gamma 117.46732342
_space_group_name... | data_image0
_chemical_formula_structural Li3V4O11F
_chemical_formula_sum "Li3 V4 O11 F1"
_cell_length_a 4.99065
_cell_length_b 4.99140947
_cell_length_c 10.01822276
_cell_angle_alpha 90.50587362
_cell_angle_beta 97.97861366
_cell_angle_gamma 117.46732342
_space_group_name... |
MoveAroundAtomAction | 1084e09f-dea2-4b87-a0f5-3ed7cbb5e1f0 | mp-2217302 | Move all surrounding atoms within 3.091 angstrom around the center atom at index 1 by [4.458 1.986 2.688] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2MgNi2O6
_chemical_formula_sum "Ba2 Mg1 Ni2 O6"
_cell_length_a 5.769695
_cell_length_b 5.76969214
_cell_length_c 5.579483
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99997936
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba2MgNi2O6
_chemical_formula_sum "Ba2 Mg1 Ni2 O6"
_cell_length_a 5.769695
_cell_length_b 5.76969214
_cell_length_c 5.579483
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99997936
_space_group_name_H-M_alt "P... |
MoveAroundAtomAction | ff89f0ef-c85a-402a-bb4e-cbd503b0d2c2 | mp-1111109 | Move all surrounding atoms within 3.971 angstrom around the center atom at index 6 by [ 1.137 3.293 -0.731] angstrom in the cif file. | data_image0
_chemical_formula_structural K2LiNbF6
_chemical_formula_sum "K2 Li1 Nb1 F6"
_cell_length_a 5.9279406
_cell_length_b 5.9279406
_cell_length_c 5.9279406
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... | data_image0
_chemical_formula_structural K2LiNbF6
_chemical_formula_sum "K2 Li1 Nb1 F6"
_cell_length_a 5.9279406
_cell_length_b 5.9279406
_cell_length_c 5.9279406
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... |
MoveAroundAtomAction | b8084a6d-3213-46f7-865e-1c0cabac90d3 | mp-1019897 | Move all surrounding atoms within 2.758 angstrom around the center atom at index 1 by [-1.565 -1.791 1.055] angstrom in the cif file. | data_image0
_chemical_formula_structural La4N4O16
_chemical_formula_sum "La4 N4 O16"
_cell_length_a 5.63928
_cell_length_b 7.303537
_cell_length_c 9.578525
_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 La4N4O16
_chemical_formula_sum "La4 N4 O16"
_cell_length_a 5.63928
_cell_length_b 7.303537
_cell_length_c 9.578525
_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 | cb06cb42-882a-4e1c-968a-aada889a8b54 | mp-1209658 | Move all surrounding atoms within 2.417 angstrom around the center atom at index 20 by [-0.179 -1.429 1.044] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr10C12Br6
_chemical_formula_sum "Pr10 C12 Br6"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_space_g... | data_image0
_chemical_formula_structural Pr10C12Br6
_chemical_formula_sum "Pr10 C12 Br6"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_space_g... |
MoveAroundAtomAction | a742ccc2-de6d-4a04-8298-a612c751422f | mp-1179989 | Move all surrounding atoms within 2.448 angstrom around the center atom at index 1 by [-4.138 0.724 -1.431] angstrom in the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... |
MoveAroundAtomAction | 3769107b-44b2-44f0-8978-536f3e0f8ddb | mp-1043265 | Move all surrounding atoms within 2.623 angstrom around the center atom at index 14 by [-2.89 0.579 -1.565] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn2Fe4O10
_chemical_formula_sum "Zn2 Fe4 O10"
_cell_length_a 5.57547502
_cell_length_b 5.57547502
_cell_length_c 11.038242
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.60332246
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zn2Fe4O10
_chemical_formula_sum "Zn2 Fe4 O10"
_cell_length_a 5.57547502
_cell_length_b 5.57547502
_cell_length_c 11.038242
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.60332246
_space_group_name_H-M_alt "P ... |
MoveAroundAtomAction | 2bff36ed-43eb-44a1-8ae3-fb88bff0c9e3 | mp-1047241 | Move all surrounding atoms within 2.811 angstrom around the center atom at index 6 by [-3.482 -0.065 -3.897] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2MoWO6
_chemical_formula_sum "Ca2 Mo1 W1 O6"
_cell_length_a 5.605692
_cell_length_b 5.62752861
_cell_length_c 5.714742600000001
_cell_angle_alpha 60.58340427000001
_cell_angle_beta 60.6781164
_cell_angle_gamma 60.79860257000001
_... | data_image0
_chemical_formula_structural Ca2MoWO6
_chemical_formula_sum "Ca2 Mo1 W1 O6"
_cell_length_a 5.605692
_cell_length_b 5.62752861
_cell_length_c 5.714742600000001
_cell_angle_alpha 60.58340427000001
_cell_angle_beta 60.6781164
_cell_angle_gamma 60.79860257000001
_... |
MoveAroundAtomAction | 2e25ded5-d602-4033-b8ce-9c94868693ac | mp-1517569 | Move all surrounding atoms within 3.29 angstrom around the center atom at index 32 by [ 2.879 -1.803 -0.173] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Eu4Sb4W4O24
_chemical_formula_sum "K4 Eu4 Sb4 W4 O24"
_cell_length_a 8.417926
_cell_length_b 8.40426722
_cell_length_c 8.44088553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural K4Eu4Sb4W4O24
_chemical_formula_sum "K4 Eu4 Sb4 W4 O24"
_cell_length_a 8.417926
_cell_length_b 8.40426722
_cell_length_c 8.44088553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveAroundAtomAction | 76f93cc1-57ed-488c-a2fb-77c409e8dc40 | mp-1237057 | Move all surrounding atoms within 3.893 angstrom around the center atom at index 5 by [ 0.806 -3.588 -0.075] angstrom in the cif file. | data_image0
_chemical_formula_structural CaTi2PbO6
_chemical_formula_sum "Ca1 Ti2 Pb1 O6"
_cell_length_a 3.901259
_cell_length_b 3.901259
_cell_length_c 8.1786
_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 CaTi2PbO6
_chemical_formula_sum "Ca1 Ti2 Pb1 O6"
_cell_length_a 3.901259
_cell_length_b 3.901259
_cell_length_c 8.1786
_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 | 211dca77-cabc-4e5b-beea-a61d83901b1b | mp-29621 | Move all surrounding atoms within 3.656 angstrom around the center atom at index 14 by [ 0.302 2.896 -2.504] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Bi6
_chemical_formula_sum "Ba10 Bi6"
_cell_length_a 10.28896437
_cell_length_b 10.28890659
_cell_length_c 7.98879513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00024749999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Bi6
_chemical_formula_sum "Ba10 Bi6"
_cell_length_a 10.28896437
_cell_length_b 10.28890659
_cell_length_c 7.98879513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00024749999999
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 8ec994eb-e537-47f8-9e78-db4aecd6ff28 | mp-753628 | Move all surrounding atoms within 3.944 angstrom around the center atom at index 3 by [-0.767 1.784 -0.607] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V2F12
_chemical_formula_sum "Li2 V2 F12"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li2V2F12
_chemical_formula_sum "Li2 V2 F12"
_cell_length_a 5.44742697
_cell_length_b 5.44742697
_cell_length_c 8.669945
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.90096331
_space_group_name_H-M_alt "P 1"
... |
MoveAroundAtomAction | 475ee3d0-00d2-476e-96a9-b756260fd712 | mp-1021415 | Move all surrounding atoms within 3.509 angstrom around the center atom at index 5 by [ 2.576 -0.629 1.621] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Mg12Sn2
_chemical_formula_sum "La2 Mg12 Sn2"
_cell_length_a 5.253729
_cell_length_b 6.529946
_cell_length_c 11.951848
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural La2Mg12Sn2
_chemical_formula_sum "La2 Mg12 Sn2"
_cell_length_a 5.253729
_cell_length_b 6.529946
_cell_length_c 11.951848
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveAroundAtomAction | 8017cb9c-bc34-483d-8375-087029297255 | mp-26995 | Move all surrounding atoms within 3.02 angstrom around the center atom at index 6 by [-0.439 -1.792 -0.15 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Co2P4O14
_chemical_formula_sum "Li2 Co2 P4 O14"
_cell_length_a 8.123492
_cell_length_b 4.868697
_cell_length_c 6.99665678
_cell_angle_alpha 71.49315879
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li2Co2P4O14
_chemical_formula_sum "Li2 Co2 P4 O14"
_cell_length_a 8.123492
_cell_length_b 4.868697
_cell_length_c 6.99665678
_cell_angle_alpha 71.49315879
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveAroundAtomAction | 2b13ff18-f892-4b6b-a52e-d5c0b98b14da | mp-756816 | Move all surrounding atoms within 3.263 angstrom around the center atom at index 4 by [0.77 1.676 2.406] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Fe3O8
_chemical_formula_sum "Li3 Fe3 O8"
_cell_length_a 5.87904966
_cell_length_b 5.87904966
_cell_length_c 5.87904966
_cell_angle_alpha 121.9109234
_cell_angle_beta 118.711455
_cell_angle_gamma 89.48438635
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li3Fe3O8
_chemical_formula_sum "Li3 Fe3 O8"
_cell_length_a 5.87904966
_cell_length_b 5.87904966
_cell_length_c 5.87904966
_cell_angle_alpha 121.9109234
_cell_angle_beta 118.711455
_cell_angle_gamma 89.48438635
_space_group_name_H-M... |
MoveAroundAtomAction | 4c930eaf-f8d4-4f1f-82fb-1ff8feb1bc88 | mp-661715 | Move all surrounding atoms within 3.456 angstrom around the center atom at index 5 by [-1.17 0.4 1.415] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... |
MoveAroundAtomAction | 6fde93bf-fa00-43d7-8462-c9871ec76921 | mp-510581 | Move all surrounding atoms within 3.02 angstrom around the center atom at index 0 by [-1.882 -1.239 0.921] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr2Ni2Sn2H4
_chemical_formula_sum "Pr2 Ni2 Sn2 H4"
_cell_length_a 4.41130012
_cell_length_b 4.41130012
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr2Ni2Sn2H4
_chemical_formula_sum "Pr2 Ni2 Sn2 H4"
_cell_length_a 4.41130012
_cell_length_b 4.41130012
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 34e5484a-3049-4695-944c-a0d197317b44 | mp-1227512 | Move all surrounding atoms within 3.27 angstrom around the center atom at index 9 by [ 3.114 -1.108 -1.438] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi8Se6S6
_chemical_formula_sum "Bi8 Se6 S6"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_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 Bi8Se6S6
_chemical_formula_sum "Bi8 Se6 S6"
_cell_length_a 4.10931
_cell_length_b 11.423795
_cell_length_c 11.8573
_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 | 93728300-af13-4de3-b945-b0d27fce6e06 | mp-1201549 | Move all surrounding atoms within 3.675 angstrom around the center atom at index 24 by [-3.801 0.932 -0.912] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe2Sb12Pb8Se28
_chemical_formula_sum "Fe2 Sb12 Pb8 Se28"
_cell_length_a 20.154961
_cell_length_b 4.146023
_cell_length_c 16.841557159999997
_cell_angle_alpha 88.04478357
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Fe2Sb12Pb8Se28
_chemical_formula_sum "Fe2 Sb12 Pb8 Se28"
_cell_length_a 20.154961
_cell_length_b 4.146023
_cell_length_c 16.841557159999997
_cell_angle_alpha 88.04478357
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
MoveAroundAtomAction | bba5aa28-b3ae-47b5-b93d-c330229fe1e2 | mp-1021280 | Move all surrounding atoms within 3.422 angstrom around the center atom at index 8 by [-1.668 -0.203 1.458] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mg12Bi2
_chemical_formula_sum "Li2 Mg12 Bi2"
_cell_length_a 5.117583
_cell_length_b 6.489678
_cell_length_c 11.17583
_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 Li2Mg12Bi2
_chemical_formula_sum "Li2 Mg12 Bi2"
_cell_length_a 5.117583
_cell_length_b 6.489678
_cell_length_c 11.17583
_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 | 5b604746-0821-4e90-bedc-5339f6637f75 | mp-1217800 | Move all surrounding atoms within 2.221 angstrom around the center atom at index 27 by [-0.748 -0.29 -0.787] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta12MoO33
_chemical_formula_sum "Ta12 Mo1 O33"
_cell_length_a 11.45759689
_cell_length_b 11.45759689
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_angle_gamma 19.3969724099... | data_image0
_chemical_formula_structural Ta12MoO33
_chemical_formula_sum "Ta12 Mo1 O33"
_cell_length_a 11.45759689
_cell_length_b 11.45759689
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_angle_gamma 19.3969724099... |
MoveAroundAtomAction | 97446382-c883-48e7-ba33-7d74dd60158e | mp-773076 | Move all surrounding atoms within 2.295 angstrom around the center atom at index 33 by [-0.846 1.647 -4.299] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co16O32
_chemical_formula_sum "Li8 Co16 O32"
_cell_length_a 8.056096
_cell_length_b 8.056096
_cell_length_c 8.056096
_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 Li8Co16O32
_chemical_formula_sum "Li8 Co16 O32"
_cell_length_a 8.056096
_cell_length_b 8.056096
_cell_length_c 8.056096
_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 | 81336cf5-f08e-4847-98a0-6f7ce7045fa7 | mp-1188770 | Move all surrounding atoms within 3.63 angstrom around the center atom at index 8 by [-2.218 2.199 -0.74 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Er12Co4
_chemical_formula_sum "Er12 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_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 Er12Co4
_chemical_formula_sum "Er12 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_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 | 745fb7b7-d8c5-4173-804f-bb555c53a0f7 | mp-1037998 | Move all surrounding atoms within 3.297 angstrom around the center atom at index 2 by [-1.13 1.949 -2.259] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg30AlCdO32
_chemical_formula_sum "Mg30 Al1 Cd1 O32"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_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 Mg30AlCdO32
_chemical_formula_sum "Mg30 Al1 Cd1 O32"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_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 | b2a58a1a-e1dd-47ab-8bc6-b1f440da08b2 | mp-2227915 | Move all surrounding atoms within 3.934 angstrom around the center atom at index 5 by [ 1.868 0.338 -2.162] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTe4Mo3WS4
_chemical_formula_sum "Mg1 Te4 Mo3 W1 S4"
_cell_length_a 3.38244389
_cell_length_b 3.3819439799999995
_cell_length_c 41.22090745
_cell_angle_alpha 90.00130695999998
_cell_angle_beta 90.11736892000002
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural MgTe4Mo3WS4
_chemical_formula_sum "Mg1 Te4 Mo3 W1 S4"
_cell_length_a 3.38244389
_cell_length_b 3.3819439799999995
_cell_length_c 41.22090745
_cell_angle_alpha 90.00130695999998
_cell_angle_beta 90.11736892000002
_cell_angle_gamma 11... |
MoveAroundAtomAction | 5a4db5b0-cc10-4f74-99c4-85d8c66a9027 | mp-1228475 | Move all surrounding atoms within 2.299 angstrom around the center atom at index 10 by [-3.842 1.766 1.279] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | c4ae7d00-60ce-4cb9-8565-88cafa66f410 | mp-17620 | Move all surrounding atoms within 3.501 angstrom around the center atom at index 0 by [-2.172 2.108 0.645] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm6B6O18
_chemical_formula_sum "Tm6 B6 O18"
_cell_length_a 6.56371394
_cell_length_b 6.56371394
_cell_length_c 8.686243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999941
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Tm6B6O18
_chemical_formula_sum "Tm6 B6 O18"
_cell_length_a 6.56371394
_cell_length_b 6.56371394
_cell_length_c 8.686243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999941
_space_group_name_H-M_alt "P 1"
... |
MoveAroundAtomAction | 2c5f4ded-9662-451e-9766-8343b6e64806 | mp-777800 | Move all surrounding atoms within 2.504 angstrom around the center atom at index 3 by [-0.737 -2.695 0.878] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe4O6F2
_chemical_formula_sum "Fe4 O6 F2"
_cell_length_a 5.58597388
_cell_length_b 5.58597388
_cell_length_c 4.69974869
_cell_angle_alpha 86.87530886
_cell_angle_beta 86.87530886
_cell_angle_gamma 65.441805
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Fe4O6F2
_chemical_formula_sum "Fe4 O6 F2"
_cell_length_a 5.58597388
_cell_length_b 5.58597388
_cell_length_c 4.69974869
_cell_angle_alpha 86.87530886
_cell_angle_beta 86.87530886
_cell_angle_gamma 65.441805
_space_group_name_H-M_al... |
MoveAroundAtomAction | 02030689-09ab-4e15-8fbe-d5690f338196 | mp-697170 | Move all surrounding atoms within 2.468 angstrom around the center atom at index 13 by [-0.184 0.544 1.598] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4H24Br8N8
_chemical_formula_sum "Mg4 H24 Br8 N8"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Mg4H24Br8N8
_chemical_formula_sum "Mg4 H24 Br8 N8"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAroundAtomAction | 63cb3697-1157-4287-9222-7683d756d288 | mp-757411 | Move all surrounding atoms within 2.715 angstrom around the center atom at index 31 by [-1.658 0.853 1.169] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co4P8O28
_chemical_formula_sum "Li8 Co4 P8 O28"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_group_... | data_image0
_chemical_formula_structural Li8Co4P8O28
_chemical_formula_sum "Li8 Co4 P8 O28"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_group_... |
MoveAroundAtomAction | c9e36adc-11d0-4c9f-89ac-b5a5a68a7b87 | mp-1036398 | Move all surrounding atoms within 2.339 angstrom around the center atom at index 18 by [ 0.026 -1.652 -2.442] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14AlBO16
_chemical_formula_sum "Mg14 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_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 Mg14AlBO16
_chemical_formula_sum "Mg14 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveAroundAtomAction | a8de5a14-017c-4086-8eb5-23235e1f36d7 | mp-1046855 | Move all surrounding atoms within 2.672 angstrom around the center atom at index 10 by [-2.649 -3.03 -2.523] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Sb4O8
_chemical_formula_sum "Ca2 Sb4 O8"
_cell_length_a 6.94412517
_cell_length_b 6.944125170000001
_cell_length_c 6.94412517
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Ca2Sb4O8
_chemical_formula_sum "Ca2 Sb4 O8"
_cell_length_a 6.94412517
_cell_length_b 6.944125170000001
_cell_length_c 6.94412517
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
MoveAroundAtomAction | a8d040ec-2b70-4f0d-bd3a-1d21bed121ef | mp-570610 | Move all surrounding atoms within 3.661 angstrom around the center atom at index 13 by [-3.67 -0.607 1.356] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd13I26
_chemical_formula_sum "Cd13 I26"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cd13I26
_chemical_formula_sum "Cd13 I26"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt "P 1"
... |
MoveAroundAtomAction | 463c65f7-d6bc-405b-80a2-8f625484fc79 | mp-1175691 | Move all surrounding atoms within 2.092 angstrom around the center atom at index 6 by [ 3.68 -0.967 1.167] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... |
MoveAroundAtomAction | 6eb9eb78-d660-44e3-a3a4-671cd497f2ed | mp-1218051 | Move all surrounding atoms within 2.551 angstrom around the center atom at index 6 by [3.331 0.181 3.636] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4MoS8
_chemical_formula_sum "Ta4 Mo1 S8"
_cell_length_a 3.32250052
_cell_length_b 3.32250052
_cell_length_c 25.410429
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001028000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ta4MoS8
_chemical_formula_sum "Ta4 Mo1 S8"
_cell_length_a 3.32250052
_cell_length_b 3.32250052
_cell_length_c 25.410429
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001028000001
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 2b53052d-9ef0-4b1c-84cf-7a5905b982e3 | mp-782632 | Move all surrounding atoms within 2.561 angstrom around the center atom at index 22 by [ 0.252 1.164 -3.841] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ni8S16O64
_chemical_formula_sum "Li8 Ni8 S16 O64"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Ni8S16O64
_chemical_formula_sum "Li8 Ni8 S16 O64"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveAroundAtomAction | 703917e6-58ee-424b-a7fe-6a8c72dc07bc | mp-1074751 | Move all surrounding atoms within 3.885 angstrom around the center atom at index 7 by [-3.186 2.552 -0.847] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.96411
_cell_length_b 6.031043
_cell_length_c 7.63054751
_cell_angle_alpha 66.95852602
_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 Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.96411
_cell_length_b 6.031043
_cell_length_c 7.63054751
_cell_angle_alpha 66.95852602
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
MoveAroundAtomAction | 6608122b-fa32-45cb-a623-b0ea7ad89467 | mp-1207428 | Move all surrounding atoms within 2.936 angstrom around the center atom at index 9 by [-0.207 1.909 -0.108] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAroundAtomAction | 1ac7c25c-ed73-4e3e-82e6-e55c5a16e8fb | mp-567381 | Move all surrounding atoms within 1.77 angstrom around the center atom at index 15 by [-0.355 -0.208 0.641] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Hg4C8
_chemical_formula_sum "K4 Hg4 C8"
_cell_length_a 17.91584894
_cell_length_b 17.486908269999997
_cell_length_c 5.171992299999999
_cell_angle_alpha 86.33461668
_cell_angle_beta 76.92162255
_cell_angle_gamma 16.743760769999987
... | data_image0
_chemical_formula_structural K4Hg4C8
_chemical_formula_sum "K4 Hg4 C8"
_cell_length_a 17.91584894
_cell_length_b 17.486908269999997
_cell_length_c 5.171992299999999
_cell_angle_alpha 86.33461668
_cell_angle_beta 76.92162255
_cell_angle_gamma 16.743760769999987
... |
MoveAroundAtomAction | 524d17d9-0768-415f-8be3-0743fffaec8a | mp-1508 | Move all surrounding atoms within 3.952 angstrom around the center atom at index 0 by [4.562 1.802 2.411] angstrom in the cif file. | data_image0
_chemical_formula_structural La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural La8S16
_chemical_formula_sum "La8 S16"
_cell_length_a 4.15927327
_cell_length_b 8.17723374
_cell_length_c 16.40527612
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveAroundAtomAction | 0383b873-ec1c-480b-a517-e5453da453a2 | mp-781738 | Move all surrounding atoms within 1.607 angstrom around the center atom at index 56 by [ 1.476 -0.775 -1.027] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
MoveAroundAtomAction | 0c9c61d9-e7d1-43d4-bf6b-e88588f6dacf | mp-766361 | Move all surrounding atoms within 3.559 angstrom around the center atom at index 39 by [-1.31 -1.273 1.034] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... |
MoveAroundAtomAction | 9035173f-35cb-48a6-9c4f-34adb86679fd | mp-1173920 | Move all surrounding atoms within 3.084 angstrom around the center atom at index 4 by [-1.753 0.909 0.944] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 5.047436
_cell_length_b 5.08305378
_cell_length_c 6.09404475
_cell_angle_alpha 91.46642466000002
_cell_angle_beta 92.13881515
_cell_angle_gamma 106.53901902
_space_g... | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 5.047436
_cell_length_b 5.08305378
_cell_length_c 6.09404475
_cell_angle_alpha 91.46642466000002
_cell_angle_beta 92.13881515
_cell_angle_gamma 106.53901902
_space_g... |
MoveAroundAtomAction | 0f3f8dd7-4028-434f-a08d-1ab5b00c169a | mp-1193845 | Move all surrounding atoms within 3.273 angstrom around the center atom at index 10 by [0.168 0.275 0.723] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
MoveAroundAtomAction | 44ebf90b-b59e-4460-86c7-86cf5f07d59a | mp-1207428 | Move all surrounding atoms within 3.285 angstrom around the center atom at index 7 by [ 0.969 0.184 -2.497] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAroundAtomAction | 0f4a310a-745b-4202-bbf4-6d62c1dc0ebd | mp-756426 | Move all surrounding atoms within 3.136 angstrom around the center atom at index 9 by [-2.4 -2.4 -1.242] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr2Nb2O8
_chemical_formula_sum "Zr2 Nb2 O8"
_cell_length_a 6.36032836
_cell_length_b 6.36032836
_cell_length_c 5.14539008
_cell_angle_alpha 68.33015732
_cell_angle_beta 68.33015732
_cell_angle_gamma 113.67927965
_space_group_name_H... | data_image0
_chemical_formula_structural Zr2Nb2O8
_chemical_formula_sum "Zr2 Nb2 O8"
_cell_length_a 6.36032836
_cell_length_b 6.36032836
_cell_length_c 5.14539008
_cell_angle_alpha 68.33015732
_cell_angle_beta 68.33015732
_cell_angle_gamma 113.67927965
_space_group_name_H... |
MoveAroundAtomAction | bad9f54e-adac-46bb-b119-0aa2b67ff291 | mp-2223616 | Move all surrounding atoms within 3.157 angstrom around the center atom at index 1 by [ 0.101 0.222 -0.205] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCuH4O2F2
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.4292979... | data_image0
_chemical_formula_structural MgCuH4O2F2
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.4292979... |
MoveAroundAtomAction | 868741f8-0b7d-46b3-b746-cb21ae1145f8 | mp-4279 | Move all surrounding atoms within 3.871 angstrom around the center atom at index 16 by [-1.426 0.262 2.605] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Ge8O20
_chemical_formula_sum "Ca4 Ge8 O20"
_cell_length_a 5.73313539
_cell_length_b 7.32176262
_cell_length_c 8.30649173
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ca4Ge8O20
_chemical_formula_sum "Ca4 Ge8 O20"
_cell_length_a 5.73313539
_cell_length_b 7.32176262
_cell_length_c 8.30649173
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAroundAtomAction | 1f019411-6181-485b-9dc5-f34c3ceb3016 | mp-30012 | Move all surrounding atoms within 2.921 angstrom around the center atom at index 20 by [ 1.702 0.263 -3.59 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi4Kr4F28
_chemical_formula_sum "Bi4 Kr4 F28"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Bi4Kr4F28
_chemical_formula_sum "Bi4 Kr4 F28"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | 022335e3-82bd-4430-aed2-29e396d602a1 | mp-740718 | Move all surrounding atoms within 2.836 angstrom around the center atom at index 92 by [0.077 1.658 3.372] angstrom in the cif file. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_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 Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveAroundAtomAction | 945b962f-9f6b-43fa-a3ac-a946a40c37f9 | mp-752785 | Move all surrounding atoms within 3.177 angstrom around the center atom at index 20 by [-3.259 2.688 -1.914] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4U4O17
_chemical_formula_sum "Sm4 U4 O17"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4U4O17
_chemical_formula_sum "Sm4 U4 O17"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_name_H-M_... |
MoveAroundAtomAction | 9b258d61-dcbe-4f39-961c-0542ecc4e355 | mp-721707 | Move all surrounding atoms within 3.006 angstrom around the center atom at index 24 by [-0.921 1.318 2.604] angstrom in the cif file. | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... |
MoveAroundAtomAction | d35f83bf-1001-4348-bd53-7b2e97b7772e | mp-1078280 | Move all surrounding atoms within 3.449 angstrom around the center atom at index 8 by [3.299 1.09 0.013] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Ga2Pd4
_chemical_formula_sum "Ca4 Ga2 Pd4"
_cell_length_a 5.71127494
_cell_length_b 5.71127494
_cell_length_c 7.784373920000001
_cell_angle_alpha 78.83040982
_cell_angle_beta 78.83040982
_cell_angle_gamma 59.933964769999996
_spa... | data_image0
_chemical_formula_structural Ca4Ga2Pd4
_chemical_formula_sum "Ca4 Ga2 Pd4"
_cell_length_a 5.71127494
_cell_length_b 5.71127494
_cell_length_c 7.784373920000001
_cell_angle_alpha 78.83040982
_cell_angle_beta 78.83040982
_cell_angle_gamma 59.933964769999996
_spa... |
MoveAroundAtomAction | 0189ec77-8e25-4f7b-b858-3609809b5162 | mp-2228948 | Move all surrounding atoms within 3.256 angstrom around the center atom at index 7 by [ 0.168 0.211 -1.422] angstrom in the cif file. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... |
MoveAroundAtomAction | 2bf3477f-1357-4b9d-896e-7e740d8741ad | mp-1078929 | Move all surrounding atoms within 3.908 angstrom around the center atom at index 4 by [ 2.73 -1.686 0.506] angstrom in the cif file. | data_image0
_chemical_formula_structural Hg4Br4N2
_chemical_formula_sum "Hg4 Br4 N2"
_cell_length_a 7.20815582
_cell_length_b 7.208155820000001
_cell_length_c 6.247823
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999833000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Hg4Br4N2
_chemical_formula_sum "Hg4 Br4 N2"
_cell_length_a 7.20815582
_cell_length_b 7.208155820000001
_cell_length_c 6.247823
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999833000001
_space_group_name_H-M_... |
MoveAroundAtomAction | b389b154-6cc2-4958-91d9-9067e1a93779 | mp-1212544 | Move all surrounding atoms within 2.609 angstrom around the center atom at index 3 by [-0.007 1.092 0.455] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3V3H6O7
_chemical_formula_sum "Na3 V3 H6 O7"
_cell_length_a 11.36722494
_cell_length_b 9.53428863
_cell_length_c 9.20006227
_cell_angle_alpha 116.24429008
_cell_angle_beta 99.17871412
_cell_angle_gamma 91.60163884
_space_group_na... | data_image0
_chemical_formula_structural Na3V3H6O7
_chemical_formula_sum "Na3 V3 H6 O7"
_cell_length_a 11.36722494
_cell_length_b 9.53428863
_cell_length_c 9.20006227
_cell_angle_alpha 116.24429008
_cell_angle_beta 99.17871412
_cell_angle_gamma 91.60163884
_space_group_na... |
MoveAroundAtomAction | 8433d9a9-3007-4db4-adf2-0800ea57345e | mp-771136 | Move all surrounding atoms within 3.741 angstrom around the center atom at index 9 by [-0.32 -1.177 1.096] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho4Se6O24
_chemical_formula_sum "Ho4 Se6 O24"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space_group... | data_image0
_chemical_formula_structural Ho4Se6O24
_chemical_formula_sum "Ho4 Se6 O24"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space_group... |
MoveAroundAtomAction | a77480c8-8f78-4f43-8e7c-807d69e78cef | mp-775339 | Move all surrounding atoms within 3.333 angstrom around the center atom at index 19 by [0.6 0.033 3.814] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... |
MoveAroundAtomAction | aea70cd6-f454-4646-b1ca-463499a0aaee | mp-1213259 | Move all surrounding atoms within 3.303 angstrom around the center atom at index 33 by [-2.426 -2.662 3.785] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn32Sn20
_chemical_formula_sum "Mn32 Sn20"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_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 Mn32Sn20
_chemical_formula_sum "Mn32 Sn20"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_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 | 6a383437-d809-4afa-8756-0c67609ed2ff | mp-1226671 | Move all surrounding atoms within 3.058 angstrom around the center atom at index 53 by [-0.402 -1.312 -0.543] angstrom in the cif file. | data_image0
_chemical_formula_structural Co4P6H22N4O18
_chemical_formula_sum "Co4 P6 H22 N4 O18"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_nam... | data_image0
_chemical_formula_structural Co4P6H22N4O18
_chemical_formula_sum "Co4 P6 H22 N4 O18"
_cell_length_a 5.43236963
_cell_length_b 5.43236963
_cell_length_c 19.001666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_nam... |
MoveAroundAtomAction | 80c2b8c5-78d2-4342-8d0b-713e1f680857 | mp-1173581 | Move all surrounding atoms within 3.409 angstrom around the center atom at index 2 by [ 0.17 2.169 -0.228] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Ti8P8O40
_chemical_formula_sum "Na8 Ti8 P8 O40"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na8Ti8P8O40
_chemical_formula_sum "Na8 Ti8 P8 O40"
_cell_length_a 6.32698008
_cell_length_b 10.68973363
_cell_length_c 12.72727491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAroundAtomAction | d1efb13a-8525-4af4-be96-e8ba1673430f | mp-1233593 | Move all surrounding atoms within 2.508 angstrom around the center atom at index 12 by [ 3.769 0.034 -0.313] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... |
MoveAroundAtomAction | b36aa53e-16d2-4a7d-989b-044248490ac6 | mp-2226963 | Move all surrounding atoms within 2.056 angstrom around the center atom at index 4 by [-1.829 1.347 1.204] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb3NaMgW2O8
_chemical_formula_sum "Rb3 Na1 Mg1 W2 O8"
_cell_length_a 7.19381107
_cell_length_b 6.25282433
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_angle_gamma 115.75966145
_space_gr... | data_image0
_chemical_formula_structural Rb3NaMgW2O8
_chemical_formula_sum "Rb3 Na1 Mg1 W2 O8"
_cell_length_a 7.19381107
_cell_length_b 6.25282433
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_angle_gamma 115.75966145
_space_gr... |
MoveAroundAtomAction | 7b461eab-a032-4699-851f-fbbcdfc49f63 | mp-1198084 | Move all surrounding atoms within 2.722 angstrom around the center atom at index 22 by [ 3.728 -1.293 3.135] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6S6O27
_chemical_formula_sum "Ca6 S6 O27"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 12.20051516
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_angle_gamma 43.565304559... | data_image0
_chemical_formula_structural Ca6S6O27
_chemical_formula_sum "Ca6 S6 O27"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 12.20051516
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_angle_gamma 43.565304559... |
MoveAroundAtomAction | 5bf4eef7-0fa9-461d-a1cb-38cee698e256 | mp-770417 | Move all surrounding atoms within 2.159 angstrom around the center atom at index 6 by [1.482 1.335 0.683] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... |
MoveAroundAtomAction | 5ad799d4-b98f-4a72-8dc9-6452e9dbf7b9 | mp-1245067 | Move all surrounding atoms within 3.488 angstrom around the center atom at index 37 by [ 0.153 0.62 -0.164] angstrom in the cif file. | data_image0
_chemical_formula_structural Al100
_chemical_formula_sum "Al100"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_name_H... | data_image0
_chemical_formula_structural Al100
_chemical_formula_sum "Al100"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_name_H... |
MoveAroundAtomAction | 3f2605fd-b4cc-410d-b76f-7a7895d30209 | mp-754801 | Move all surrounding atoms within 2.782 angstrom around the center atom at index 18 by [-2.678 0.083 2.945] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... |
MoveAroundAtomAction | c2b9f10e-149d-46b6-b158-7b615a013e86 | mp-1185731 | Move all surrounding atoms within 2.728 angstrom around the center atom at index 26 by [-1.443 -0.924 0.486] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg16ScAl12
_chemical_formula_sum "Mg16 Sc1 Al12"
_cell_length_a 9.16029477
_cell_length_b 9.16029477
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_angle_gamma 109.592206500000... | data_image0
_chemical_formula_structural Mg16ScAl12
_chemical_formula_sum "Mg16 Sc1 Al12"
_cell_length_a 9.16029477
_cell_length_b 9.16029477
_cell_length_c 9.01834046
_cell_angle_alpha 70.75163881999998
_cell_angle_beta 70.75163881999998
_cell_angle_gamma 109.592206500000... |
MoveAroundAtomAction | f11817e9-d292-4ea1-9b58-b1449f6ca3dd | mp-1111627 | Move all surrounding atoms within 2.501 angstrom around the center atom at index 3 by [-0.194 1.806 -0.948] angstrom in the cif file. | data_image0
_chemical_formula_structural K2NaPdF6
_chemical_formula_sum "K2 Na1 Pd1 F6"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2NaPdF6
_chemical_formula_sum "K2 Na1 Pd1 F6"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... |
MoveAroundAtomAction | 1d570482-09bb-477d-97fe-864dd03e2f4e | mp-1174239 | Move all surrounding atoms within 2.684 angstrom around the center atom at index 24 by [0.999 2.667 0.188] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... |
MoveAroundAtomAction | 53d9cba4-b9a3-44f9-96c2-e37e9341ff12 | mp-558194 | Move all surrounding atoms within 3.591 angstrom around the center atom at index 18 by [ 1.786 1.089 -0.496] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2La2Mg2W2O12
_chemical_formula_sum "Na2 La2 Mg2 W2 O12"
_cell_length_a 5.60498325
_cell_length_b 5.604983250000001
_cell_length_c 7.958433200000001
_cell_angle_alpha 89.95392383
_cell_angle_beta 89.95392383
_cell_angle_gamma 90.61... | data_image0
_chemical_formula_structural Na2La2Mg2W2O12
_chemical_formula_sum "Na2 La2 Mg2 W2 O12"
_cell_length_a 5.60498325
_cell_length_b 5.604983250000001
_cell_length_c 7.958433200000001
_cell_angle_alpha 89.95392383
_cell_angle_beta 89.95392383
_cell_angle_gamma 90.61... |
MoveAroundAtomAction | 1c164d2b-e965-4698-a6f8-771b746113e9 | mp-779083 | Move all surrounding atoms within 2.4 angstrom around the center atom at index 5 by [-0.381 -1.129 0.58 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V3SnO8
_chemical_formula_sum "Li2 V3 Sn1 O8"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_group_nam... | data_image0
_chemical_formula_structural Li2V3SnO8
_chemical_formula_sum "Li2 V3 Sn1 O8"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_group_nam... |
MoveAroundAtomAction | b20586a0-a0e4-4757-bd31-dfef5217328e | mp-562403 | Move all surrounding atoms within 2.392 angstrom around the center atom at index 17 by [ 0.155 -2.836 -2.38 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4As4O4F16
_chemical_formula_sum "Cs4 As4 O4 F16"
_cell_length_a 6.48014715
_cell_length_b 5.12260146
_cell_length_c 14.13646541
_cell_angle_alpha 83.90329683
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4As4O4F16
_chemical_formula_sum "Cs4 As4 O4 F16"
_cell_length_a 6.48014715
_cell_length_b 5.12260146
_cell_length_c 14.13646541
_cell_angle_alpha 83.90329683
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 744bc69f-18ac-44ae-abd9-8d615299aa4b | mp-29185 | Move all surrounding atoms within 2.404 angstrom around the center atom at index 2 by [0.159 2.629 0.08 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... |
MoveAroundAtomAction | 65b0acb6-1b65-42e0-a4c1-ef153ddd71e5 | mp-776521 | Move all surrounding atoms within 3.065 angstrom around the center atom at index 31 by [3.517 1.312 1.055] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti3V2SbP6O24
_chemical_formula_sum "Ti3 V2 Sb1 P6 O24"
_cell_length_a 8.68819717
_cell_length_b 8.68819717
_cell_length_c 8.68819765
_cell_angle_alpha 60.802887500000004
_cell_angle_beta 60.802887500000004
_cell_angle_gamma 60.80288... | data_image0
_chemical_formula_structural Ti3V2SbP6O24
_chemical_formula_sum "Ti3 V2 Sb1 P6 O24"
_cell_length_a 8.68819717
_cell_length_b 8.68819717
_cell_length_c 8.68819765
_cell_angle_alpha 60.802887500000004
_cell_angle_beta 60.802887500000004
_cell_angle_gamma 60.80288... |
MoveAroundAtomAction | edc4ed1a-fcfa-4599-a2bb-7786a3c976bb | mp-1188903 | Move all surrounding atoms within 3.887 angstrom around the center atom at index 2 by [ 1.095 -1.944 -2.202] angstrom in the cif file. | data_image0
_chemical_formula_structural Pt2Cl8O10
_chemical_formula_sum "Pt2 Cl8 O10"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_group_nam... | data_image0
_chemical_formula_structural Pt2Cl8O10
_chemical_formula_sum "Pt2 Cl8 O10"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_group_nam... |
MoveAroundAtomAction | b3d14ebe-09ab-4d26-a7e4-f2c34f47294e | mp-1016677 | Move all surrounding atoms within 3.057 angstrom around the center atom at index 3 by [-1.321 -0.815 -0.676] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12Cr2C2
_chemical_formula_sum "Mg12 Cr2 C2"
_cell_length_a 3.111152
_cell_length_b 9.703971
_cell_length_c 10.344159
_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 Mg12Cr2C2
_chemical_formula_sum "Mg12 Cr2 C2"
_cell_length_a 3.111152
_cell_length_b 9.703971
_cell_length_c 10.344159
_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 | e7526b16-a25b-493c-9c99-240c8ce126a8 | mp-1194096 | Move all surrounding atoms within 2.787 angstrom around the center atom at index 1 by [-2.077 -0.661 -3.144] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Ni4Se12O36
_chemical_formula_sum "Sr8 Ni4 Se12 O36"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 107.365... | data_image0
_chemical_formula_structural Sr8Ni4Se12O36
_chemical_formula_sum "Sr8 Ni4 Se12 O36"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 107.365... |
MoveAroundAtomAction | d7bf11e4-5389-4d73-b193-662073e38d42 | mp-761020 | Move all surrounding atoms within 3.589 angstrom around the center atom at index 0 by [ 0.057 1.373 -1. ] angstrom in the cif file. | data_image0
_chemical_formula_structural Co8O4F12
_chemical_formula_sum "Co8 O4 F12"
_cell_length_a 5.61457836
_cell_length_b 5.61457836
_cell_length_c 10.15479898
_cell_angle_alpha 70.44611164
_cell_angle_beta 70.44611164
_cell_angle_gamma 67.69860746
_space_group_name_H... | data_image0
_chemical_formula_structural Co8O4F12
_chemical_formula_sum "Co8 O4 F12"
_cell_length_a 5.61457836
_cell_length_b 5.61457836
_cell_length_c 10.15479898
_cell_angle_alpha 70.44611164
_cell_angle_beta 70.44611164
_cell_angle_gamma 67.69860746
_space_group_name_H... |
MoveAroundAtomAction | fe462049-5d66-4edc-a45b-9561d032ffc4 | mp-1047132 | Move all surrounding atoms within 3.001 angstrom around the center atom at index 9 by [-0.064 -1.358 3.689] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Ag4O8
_chemical_formula_sum "Ca2 Ag4 O8"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
_space... | data_image0
_chemical_formula_structural Ca2Ag4O8
_chemical_formula_sum "Ca2 Ag4 O8"
_cell_length_a 7.63414409
_cell_length_b 7.63414409
_cell_length_c 7.63414409
_cell_angle_alpha 133.30591749999996
_cell_angle_beta 133.30591749999996
_cell_angle_gamma 68.17412985
_space... |
MoveAroundAtomAction | e319c66c-70f0-4c18-b613-8d4a54ccb0af | mp-626083 | Move all surrounding atoms within 2.593 angstrom around the center atom at index 16 by [-0.561 2.533 0.24 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Si4H4O10
_chemical_formula_sum "Si4 H4 O10"
_cell_length_a 8.9706373
_cell_length_b 8.9706373
_cell_length_c 5.22221603
_cell_angle_alpha 76.15780689
_cell_angle_beta 76.15780689
_cell_angle_gamma 37.204511430000004
_space_group_na... | data_image0
_chemical_formula_structural Si4H4O10
_chemical_formula_sum "Si4 H4 O10"
_cell_length_a 8.9706373
_cell_length_b 8.9706373
_cell_length_c 5.22221603
_cell_angle_alpha 76.15780689
_cell_angle_beta 76.15780689
_cell_angle_gamma 37.204511430000004
_space_group_na... |
MoveAroundAtomAction | de8a00c3-7d7b-44ec-9dcd-daba87f90bd7 | mp-19265 | Move all surrounding atoms within 2.358 angstrom around the center atom at index 14 by [-0.314 -1.962 -1.886] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy4Ni4O12
_chemical_formula_sum "Dy4 Ni4 O12"
_cell_length_a 5.15399503
_cell_length_b 5.49893767
_cell_length_c 7.390526829999999
_cell_angle_alpha 89.99977502
_cell_angle_beta 89.99809542
_cell_angle_gamma 90.00004845000001
_spac... | data_image0
_chemical_formula_structural Dy4Ni4O12
_chemical_formula_sum "Dy4 Ni4 O12"
_cell_length_a 5.15399503
_cell_length_b 5.49893767
_cell_length_c 7.390526829999999
_cell_angle_alpha 89.99977502
_cell_angle_beta 89.99809542
_cell_angle_gamma 90.00004845000001
_spac... |
MoveAroundAtomAction | b9d11cae-a80a-4c2c-bd67-aca9568eb578 | mp-1042880 | Move all surrounding atoms within 3.817 angstrom around the center atom at index 13 by [-2.283 1.943 -3.065] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4Ni6O16
_chemical_formula_sum "Zn4 Ni6 O16"
_cell_length_a 5.75358048
_cell_length_b 5.75358048
_cell_length_c 9.188489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000555
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zn4Ni6O16
_chemical_formula_sum "Zn4 Ni6 O16"
_cell_length_a 5.75358048
_cell_length_b 5.75358048
_cell_length_c 9.188489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000555
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | 4a5569f6-586f-4164-bee4-4ea520eabc12 | mp-753857 | Move all surrounding atoms within 3.678 angstrom around the center atom at index 7 by [-1.237 -1.095 1.074] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4O4F6
_chemical_formula_sum "Mn4 O4 F6"
_cell_length_a 5.55561473
_cell_length_b 5.55561473
_cell_length_c 6.933818450000001
_cell_angle_alpha 73.05685679
_cell_angle_beta 73.05685679
_cell_angle_gamma 54.0499085
_space_group_nam... | data_image0
_chemical_formula_structural Mn4O4F6
_chemical_formula_sum "Mn4 O4 F6"
_cell_length_a 5.55561473
_cell_length_b 5.55561473
_cell_length_c 6.933818450000001
_cell_angle_alpha 73.05685679
_cell_angle_beta 73.05685679
_cell_angle_gamma 54.0499085
_space_group_nam... |
MoveAroundAtomAction | cdf0b2ca-f023-43d0-9398-8c883b12c4ca | mp-759335 | Move all surrounding atoms within 2.518 angstrom around the center atom at index 89 by [-2.544 -0.829 -0.068] angstrom in the cif file. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... |
MoveAroundAtomAction | 7a472af7-6d1e-4a64-a2ec-240458cb050c | mp-1212504 | Move all surrounding atoms within 3.893 angstrom around the center atom at index 50 by [-1.37 1.822 -1.797] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd8P12H20W4O36
_chemical_formula_sum "Nd8 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Nd8P12H20W4O36
_chemical_formula_sum "Nd8 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
MoveAroundAtomAction | a6f04412-48de-4edd-af65-67f51e62f727 | mp-1028120 | Move all surrounding atoms within 3.047 angstrom around the center atom at index 11 by [4.066 1.012 1.363] angstrom in the cif file. | data_image0
_chemical_formula_structural CaMg14C
_chemical_formula_sum "Ca1 Mg14 C1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural CaMg14C
_chemical_formula_sum "Ca1 Mg14 C1"
_cell_length_a 6.42100773
_cell_length_b 6.4210072
_cell_length_c 10.03864201
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | b82293e9-d9c5-4192-8775-511589ce3737 | mp-606121 | Move all surrounding atoms within 3.459 angstrom around the center atom at index 10 by [ 0.536 -3.449 3.377] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4Bi10Rh6
_chemical_formula_sum "Ce4 Bi10 Rh6"
_cell_length_a 13.88962224
_cell_length_b 13.88962224
_cell_length_c 7.577222
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.66538879
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ce4Bi10Rh6
_chemical_formula_sum "Ce4 Bi10 Rh6"
_cell_length_a 13.88962224
_cell_length_b 13.88962224
_cell_length_c 7.577222
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 160.66538879
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 50e52e55-0995-4abf-812a-bee2c0f66d57 | mp-554765 | Move all surrounding atoms within 2.79 angstrom around the center atom at index 13 by [-0.922 1.305 2.798] angstrom in the cif file. | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... |
MoveAroundAtomAction | 6f6d511b-3e01-4536-9a95-cf07ec5c5719 | mp-1105809 | Move all surrounding atoms within 3.559 angstrom around the center atom at index 5 by [ 1.944 -1.803 1.741] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce8Se6N4
_chemical_formula_sum "Ce8 Se6 N4"
_cell_length_a 8.33568922
_cell_length_b 8.33568922
_cell_length_c 6.50426929
_cell_angle_alpha 90.17803823
_cell_angle_beta 90.17803823
_cell_angle_gamma 75.50873806
_space_group_name_H-... | data_image0
_chemical_formula_structural Ce8Se6N4
_chemical_formula_sum "Ce8 Se6 N4"
_cell_length_a 8.33568922
_cell_length_b 8.33568922
_cell_length_c 6.50426929
_cell_angle_alpha 90.17803823
_cell_angle_beta 90.17803823
_cell_angle_gamma 75.50873806
_space_group_name_H-... |
MoveAroundAtomAction | 4bc4aa01-c109-4eba-b265-bc23d56d2717 | mp-5794 | Move all surrounding atoms within 3.694 angstrom around the center atom at index 13 by [-1.001 -2.737 -0.641] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn2Ga4O8
_chemical_formula_sum "Zn2 Ga4 O8"
_cell_length_a 5.89895224
_cell_length_b 5.898952539999999
_cell_length_c 5.89895211
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_angle_gamma 59.9999914700... | data_image0
_chemical_formula_structural Zn2Ga4O8
_chemical_formula_sum "Zn2 Ga4 O8"
_cell_length_a 5.89895224
_cell_length_b 5.898952539999999
_cell_length_c 5.89895211
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_angle_gamma 59.9999914700... |
MoveAroundAtomAction | b76a1701-b366-44e2-867f-40ec6bac1f87 | mp-1101376 | Move all surrounding atoms within 3.806 angstrom around the center atom at index 6 by [ 1.729 0.073 -2.082] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Ge4O14
_chemical_formula_sum "Ta4 Ge4 O14"
_cell_length_a 13.66819192
_cell_length_b 13.66819192
_cell_length_c 5.791745
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.60802685
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ta4Ge4O14
_chemical_formula_sum "Ta4 Ge4 O14"
_cell_length_a 13.66819192
_cell_length_b 13.66819192
_cell_length_c 5.791745
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.60802685
_space_group_name_H-M_alt "P... |
MoveAroundAtomAction | 82e5f0fb-ff5b-4125-abce-f287087ce561 | mp-1112279 | Move all surrounding atoms within 3.701 angstrom around the center atom at index 9 by [ 1.984 -1.441 -1.088] angstrom in the cif file. | data_image0
_chemical_formula_structural K2AgPdF6
_chemical_formula_sum "K2 Ag1 Pd1 F6"
_cell_length_a 6.19613065
_cell_length_b 6.196130650000001
_cell_length_c 6.19613065
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural K2AgPdF6
_chemical_formula_sum "K2 Ag1 Pd1 F6"
_cell_length_a 6.19613065
_cell_length_b 6.196130650000001
_cell_length_c 6.19613065
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... |
MoveAroundAtomAction | 0bb49fcd-78f9-47d5-86f1-b48ba2d77770 | mp-34009 | Move all surrounding atoms within 3.787 angstrom around the center atom at index 1 by [ 0.552 2.824 -0.18 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce2Sm4S8
_chemical_formula_sum "Ce2 Sm4 S8"
_cell_length_a 7.38715013
_cell_length_b 7.38715013
_cell_length_c 7.38715013
_cell_angle_alpha 109.54757916999999
_cell_angle_beta 109.54757916999999
_cell_angle_gamma 109.31861126
_spac... | data_image0
_chemical_formula_structural Ce2Sm4S8
_chemical_formula_sum "Ce2 Sm4 S8"
_cell_length_a 7.38715013
_cell_length_b 7.38715013
_cell_length_c 7.38715013
_cell_angle_alpha 109.54757916999999
_cell_angle_beta 109.54757916999999
_cell_angle_gamma 109.31861126
_spac... |
MoveAroundAtomAction | 828b288f-e1e8-43f1-a56c-dcd34d64699f | mp-1341052 | Move all surrounding atoms within 3.731 angstrom around the center atom at index 5 by [ 0.132 -3.855 -2.76 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4W4O10
_chemical_formula_sum "Ca4 W4 O10"
_cell_length_a 3.976709
_cell_length_b 5.492253
_cell_length_c 10.984542
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Ca4W4O10
_chemical_formula_sum "Ca4 W4 O10"
_cell_length_a 3.976709
_cell_length_b 5.492253
_cell_length_c 10.984542
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
MoveAroundAtomAction | 0b632b6b-4c88-4c43-8c35-b2c54a78c65d | mp-674329 | Move all surrounding atoms within 3.783 angstrom around the center atom at index 5 by [ 0.247 -0.09 -0.986] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Cd2Te8
_chemical_formula_sum "La4 Cd2 Te8"
_cell_length_a 8.40221564
_cell_length_b 8.40221564
_cell_length_c 8.40221564
_cell_angle_alpha 111.27333268
_cell_angle_beta 111.27333268
_cell_angle_gamma 105.92416972999999
_space_gr... | data_image0
_chemical_formula_structural La4Cd2Te8
_chemical_formula_sum "La4 Cd2 Te8"
_cell_length_a 8.40221564
_cell_length_b 8.40221564
_cell_length_c 8.40221564
_cell_angle_alpha 111.27333268
_cell_angle_beta 111.27333268
_cell_angle_gamma 105.92416972999999
_space_gr... |
MoveAroundAtomAction | fad264de-82cd-4c4b-a54a-6416ac0dcd91 | mp-771159 | Move all surrounding atoms within 2.569 angstrom around the center atom at index 15 by [ 1.176 -0.089 1.188] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... |
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