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 | a24df9ac-55a4-4dbf-928e-bb5255f79ee3 | mp-1522961 | Move all surrounding atoms within 2.805 angstrom around the center atom at index 5 by [0.834 3.061 2.668] angstrom in the cif file. | data_image0
_chemical_formula_structural NaSrNbSbO6
_chemical_formula_sum "Na1 Sr1 Nb1 Sb1 O6"
_cell_length_a 5.82188153
_cell_length_b 5.82188153
_cell_length_c 5.82188153
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... | data_image0
_chemical_formula_structural NaSrNbSbO6
_chemical_formula_sum "Na1 Sr1 Nb1 Sb1 O6"
_cell_length_a 5.82188153
_cell_length_b 5.82188153
_cell_length_c 5.82188153
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... |
MoveAroundAtomAction | a3220659-150b-4d3e-a61e-3d5e6774dd04 | mp-1181899 | Move all surrounding atoms within 3.025 angstrom around the center atom at index 3 by [-3.432 3.167 3.831] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd2Br4O8
_chemical_formula_sum "Cd2 Br4 O8"
_cell_length_a 9.518223
_cell_length_b 3.703541
_cell_length_c 7.59514437
_cell_angle_alpha 63.57413614
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Cd2Br4O8
_chemical_formula_sum "Cd2 Br4 O8"
_cell_length_a 9.518223
_cell_length_b 3.703541
_cell_length_c 7.59514437
_cell_angle_alpha 63.57413614
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAroundAtomAction | 7845f166-583a-4771-8677-94a64c480b64 | mp-1214420 | Move all surrounding atoms within 2.389 angstrom around the center atom at index 10 by [-0.623 -0.477 1.248] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Hf2F12
_chemical_formula_sum "Ba2 Hf2 F12"
_cell_length_a 6.86460262
_cell_length_b 6.864602619999999
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.32893431999999
_space_group_name_... | data_image0
_chemical_formula_structural Ba2Hf2F12
_chemical_formula_sum "Ba2 Hf2 F12"
_cell_length_a 6.86460262
_cell_length_b 6.864602619999999
_cell_length_c 5.46341565
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.32893431999999
_space_group_name_... |
MoveAroundAtomAction | 1ddb8a21-a9d8-4683-bddd-731f580b38bd | mp-30650 | Move all surrounding atoms within 3.819 angstrom around the center atom at index 13 by [-1.855 -3.645 -0.829] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12Ga6
_chemical_formula_sum "Mg12 Ga6"
_cell_length_a 7.64864885
_cell_length_b 7.64864804
_cell_length_c 6.98307274
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00003825999998
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg12Ga6
_chemical_formula_sum "Mg12 Ga6"
_cell_length_a 7.64864885
_cell_length_b 7.64864804
_cell_length_c 6.98307274
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00003825999998
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | 836afafc-3e13-4d06-ac86-8249b5473891 | mp-1173764 | Move all surrounding atoms within 3.535 angstrom around the center atom at index 25 by [-1.499 2.97 -2.507] angstrom in the cif file. | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... |
MoveAroundAtomAction | f8ff1ebe-7be4-4af3-b2b7-22944995bbe7 | mp-773104 | Move all surrounding atoms within 2.161 angstrom around the center atom at index 34 by [ 6.002 -1.686 0.728] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr24Fe16O55
_chemical_formula_sum "Sr24 Fe16 O55"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.50833022000002
_spa... | data_image0
_chemical_formula_structural Sr24Fe16O55
_chemical_formula_sum "Sr24 Fe16 O55"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.50833022000002
_spa... |
MoveAroundAtomAction | 60af9f78-d197-45ca-b765-9b95aec73d15 | mp-1193261 | Move all surrounding atoms within 2.213 angstrom around the center atom at index 22 by [ 2.112 -1.774 0.472] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4H4C4N8O8
_chemical_formula_sum "Cs4 H4 C4 N8 O8"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cs4H4C4N8O8
_chemical_formula_sum "Cs4 H4 C4 N8 O8"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAroundAtomAction | bc0d9105-4c23-4ab2-9a21-7f809efd59a5 | mp-761166 | Move all surrounding atoms within 2.301 angstrom around the center atom at index 1 by [-2.351 -0.133 -0.95 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2F6
_chemical_formula_sum "Li2 Fe2 F6"
_cell_length_a 5.26450736
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.64166649999999
_space_group_n... | data_image0
_chemical_formula_structural Li2Fe2F6
_chemical_formula_sum "Li2 Fe2 F6"
_cell_length_a 5.26450736
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.64166649999999
_space_group_n... |
MoveAroundAtomAction | 71e1b757-4870-48ae-b864-81c2dec9182a | mp-690575 | Move all surrounding atoms within 2.672 angstrom around the center atom at index 1 by [ 0.737 2.845 -1.009] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4Ni2O12
_chemical_formula_sum "Nb4 Ni2 O12"
_cell_length_a 5.64998711
_cell_length_b 5.64998711
_cell_length_c 6.7760536899999995
_cell_angle_alpha 88.35719593
_cell_angle_beta 88.35719593
_cell_angle_gamma 71.38183627
_space_gro... | data_image0
_chemical_formula_structural Nb4Ni2O12
_chemical_formula_sum "Nb4 Ni2 O12"
_cell_length_a 5.64998711
_cell_length_b 5.64998711
_cell_length_c 6.7760536899999995
_cell_angle_alpha 88.35719593
_cell_angle_beta 88.35719593
_cell_angle_gamma 71.38183627
_space_gro... |
MoveAroundAtomAction | ce8ba9a0-f080-47d6-a56f-1390d9e22bb5 | mp-1272968 | Move all surrounding atoms within 2.276 angstrom around the center atom at index 13 by [-1.013 0.209 3.612] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2V4O8
_chemical_formula_sum "Na2 V4 O8"
_cell_length_a 5.19210069
_cell_length_b 5.94416701
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43049897
_cell_angle_gamma 89.99560242
_space_group_... | data_image0
_chemical_formula_structural Na2V4O8
_chemical_formula_sum "Na2 V4 O8"
_cell_length_a 5.19210069
_cell_length_b 5.94416701
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43049897
_cell_angle_gamma 89.99560242
_space_group_... |
MoveAroundAtomAction | d1bd6e25-2a0e-46be-b8f5-a7d2774f5c3c | mp-1199536 | Move all surrounding atoms within 3.237 angstrom around the center atom at index 21 by [ 0.448 -1.41 -2.948] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn4Mo4H24C8O16
_chemical_formula_sum "Sn4 Mo4 H24 C8 O16"
_cell_length_a 7.380515
_cell_length_b 7.443991
_cell_length_c 13.73188
_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 Sn4Mo4H24C8O16
_chemical_formula_sum "Sn4 Mo4 H24 C8 O16"
_cell_length_a 7.380515
_cell_length_b 7.443991
_cell_length_c 13.73188
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | c675becd-2f89-4b3c-a8de-334f59bd8ac4 | mp-558119 | Move all surrounding atoms within 3.335 angstrom around the center atom at index 27 by [ 3.092 -0.785 -1.323] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu16Mo16O44
_chemical_formula_sum "Lu16 Mo16 O44"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Lu16Mo16O44
_chemical_formula_sum "Lu16 Mo16 O44"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 6bab8d54-3d37-4262-98c9-8a0e7549fdd4 | mp-758218 | Move all surrounding atoms within 2.535 angstrom around the center atom at index 31 by [2.342 1.042 2.266] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti4P8O28
_chemical_formula_sum "Li4 Ti4 P8 O28"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Ti4P8O28
_chemical_formula_sum "Li4 Ti4 P8 O28"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | 4c343152-05cb-42af-8e93-14b4961ad2ac | mp-557992 | Move all surrounding atoms within 3.433 angstrom around the center atom at index 11 by [-1.637 -0.033 -1.636] angstrom in the cif file. | data_image0
_chemical_formula_structural In4Te4Cl4O12
_chemical_formula_sum "In4 Te4 Cl4 O12"
_cell_length_a 7.031733
_cell_length_b 7.196003
_cell_length_c 8.64328525
_cell_angle_alpha 77.23700394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural In4Te4Cl4O12
_chemical_formula_sum "In4 Te4 Cl4 O12"
_cell_length_a 7.031733
_cell_length_b 7.196003
_cell_length_c 8.64328525
_cell_angle_alpha 77.23700394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | cd00d76c-e636-466b-abce-ec592c714d97 | mp-20817 | Move all surrounding atoms within 3.854 angstrom around the center atom at index 3 by [-2.876 2.12 0.743] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge4Pt4Se4
_chemical_formula_sum "Ge4 Pt4 Se4"
_cell_length_a 6.02894882
_cell_length_b 6.05269499
_cell_length_c 6.11051989
_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 Ge4Pt4Se4
_chemical_formula_sum "Ge4 Pt4 Se4"
_cell_length_a 6.02894882
_cell_length_b 6.05269499
_cell_length_c 6.11051989
_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 | f24fcf44-bd45-4e0d-8d30-a5490a4350bb | mp-1027923 | Move all surrounding atoms within 3.305 angstrom around the center atom at index 14 by [-3.225 2.035 -2.056] angstrom in the cif file. | data_image0
_chemical_formula_structural SrMg14Zr
_chemical_formula_sum "Sr1 Mg14 Zr1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrMg14Zr
_chemical_formula_sum "Sr1 Mg14 Zr1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | ba74b8cb-d349-4ceb-9941-5c1443e3a458 | mp-669334 | Move all surrounding atoms within 3.554 angstrom around the center atom at index 27 by [2.843 3.016 0.767] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd15I30
_chemical_formula_sum "Cd15 I30"
_cell_length_a 4.34447773
_cell_length_b 4.34447773
_cell_length_c 110.424958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999586
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Cd15I30
_chemical_formula_sum "Cd15 I30"
_cell_length_a 4.34447773
_cell_length_b 4.34447773
_cell_length_c 110.424958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999586
_space_group_name_H-M_alt "P 1"
_... |
MoveAroundAtomAction | 77bb5336-1859-4a65-9d49-92a6e2b49c7e | mp-560545 | Move all surrounding atoms within 3.857 angstrom around the center atom at index 7 by [-2.192 1.021 -1.918] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ca2As8O24
_chemical_formula_sum "Na4 Ca2 As8 O24"
_cell_length_a 10.131248
_cell_length_b 10.131248
_cell_length_c 5.239611
_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 Na4Ca2As8O24
_chemical_formula_sum "Na4 Ca2 As8 O24"
_cell_length_a 10.131248
_cell_length_b 10.131248
_cell_length_c 5.239611
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAroundAtomAction | c35c9cb8-ba89-4f1d-99b0-1dc1c3484ada | mp-20083 | Move all surrounding atoms within 3.957 angstrom around the center atom at index 8 by [-0.922 -2.345 -0.807] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 | 085e44f1-8241-4457-82e7-f1fc98c8a49a | mp-20250 | Move all surrounding atoms within 3.646 angstrom around the center atom at index 7 by [-0.103 -0.486 -1.988] angstrom in the cif file. | data_image0
_chemical_formula_structural Pd8S8
_chemical_formula_sum "Pd8 S8"
_cell_length_a 6.47221786
_cell_length_b 6.47221786
_cell_length_c 6.6355318
_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 Pd8S8
_chemical_formula_sum "Pd8 S8"
_cell_length_a 6.47221786
_cell_length_b 6.47221786
_cell_length_c 6.6355318
_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 | 2ba2e4d0-7d18-499d-8935-712c1e28364e | mp-13211 | Move all surrounding atoms within 3.443 angstrom around the center atom at index 13 by [ 0.747 1.224 -1.619] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... |
MoveAroundAtomAction | 43ded07a-5ac3-4e48-9e3b-28bf2f97be5d | mp-10244 | Move all surrounding atoms within 2.494 angstrom around the center atom at index 5 by [-1.709 0.338 0.825] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr3Cu4Si4
_chemical_formula_sum "Zr3 Cu4 Si4"
_cell_length_a 3.92810485
_cell_length_b 6.36160577
_cell_length_c 7.52624214
_cell_angle_alpha 115.00265899
_cell_angle_beta 105.09630502
_cell_angle_gamma 90.00160276
_space_group_nam... | data_image0
_chemical_formula_structural Zr3Cu4Si4
_chemical_formula_sum "Zr3 Cu4 Si4"
_cell_length_a 3.92810485
_cell_length_b 6.36160577
_cell_length_c 7.52624214
_cell_angle_alpha 115.00265899
_cell_angle_beta 105.09630502
_cell_angle_gamma 90.00160276
_space_group_nam... |
MoveAroundAtomAction | be96ded6-6fb2-4376-b02e-428594f2ba96 | mp-758795 | Move all surrounding atoms within 1.823 angstrom around the center atom at index 30 by [ 1.443 -1.696 -1.666] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe8Si12O36
_chemical_formula_sum "Li8 Fe8 Si12 O36"
_cell_length_a 7.32447
_cell_length_b 10.657702
_cell_length_c 12.39328977
_cell_angle_alpha 68.47111259
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Fe8Si12O36
_chemical_formula_sum "Li8 Fe8 Si12 O36"
_cell_length_a 7.32447
_cell_length_b 10.657702
_cell_length_c 12.39328977
_cell_angle_alpha 68.47111259
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 8319174f-ff0a-4c2e-8060-76560587fe55 | mp-762374 | Move all surrounding atoms within 3.889 angstrom around the center atom at index 33 by [0.27 0.16 2.486] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4La3Nb12O36
_chemical_formula_sum "Li4 La3 Nb12 O36"
_cell_length_a 9.80564201
_cell_length_b 9.80564201
_cell_length_c 11.309894320000001
_cell_angle_alpha 72.8782134
_cell_angle_beta 72.8782134
_cell_angle_gamma 47.9613330499999... | data_image0
_chemical_formula_structural Li4La3Nb12O36
_chemical_formula_sum "Li4 La3 Nb12 O36"
_cell_length_a 9.80564201
_cell_length_b 9.80564201
_cell_length_c 11.309894320000001
_cell_angle_alpha 72.8782134
_cell_angle_beta 72.8782134
_cell_angle_gamma 47.9613330499999... |
MoveAroundAtomAction | 0a7146a3-ed88-40f0-9dcc-6fcf057a5418 | mp-1190647 | Move all surrounding atoms within 3.602 angstrom around the center atom at index 12 by [-2.411 -0.342 0.942] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge6F16
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ge6F16
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveAroundAtomAction | f92a53b9-15f1-49fb-ade6-2c718b4e5e45 | mp-1201547 | Move all surrounding atoms within 3.836 angstrom around the center atom at index 25 by [ 0.761 1.833 -2.763] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho16B4Cl4O28
_chemical_formula_sum "Ho16 B4 Cl4 O28"
_cell_length_a 8.036807
_cell_length_b 8.596474
_cell_length_c 12.24668418
_cell_angle_alpha 59.98757995999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ho16B4Cl4O28
_chemical_formula_sum "Ho16 B4 Cl4 O28"
_cell_length_a 8.036807
_cell_length_b 8.596474
_cell_length_c 12.24668418
_cell_angle_alpha 59.98757995999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAroundAtomAction | 99966477-3150-423a-ac0a-09965c153184 | mp-541574 | Move all surrounding atoms within 2.535 angstrom around the center atom at index 12 by [ 0.216 -2.288 0.048] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Y8Co4O20
_chemical_formula_sum "Ba4 Y8 Co4 O20"
_cell_length_a 5.770025
_cell_length_b 7.158529
_cell_length_c 12.39054
_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 Ba4Y8Co4O20
_chemical_formula_sum "Ba4 Y8 Co4 O20"
_cell_length_a 5.770025
_cell_length_b 7.158529
_cell_length_c 12.39054
_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 | 27e1287c-2f59-4a8d-b5df-63e96355faaa | mp-780652 | Move all surrounding atoms within 1.777 angstrom around the center atom at index 41 by [ 1.868 -0.478 -2.006] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... |
MoveAroundAtomAction | bc2f8855-b40a-40ec-9dff-df6ced5eb1d3 | mp-1209287 | Move all surrounding atoms within 2.991 angstrom around the center atom at index 45 by [2.547 3.498 0.76 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Sb8Cl8F24
_chemical_formula_sum "Rb8 Sb8 Cl8 F24"
_cell_length_a 8.238391
_cell_length_b 8.530666
_cell_length_c 15.415517
_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 Rb8Sb8Cl8F24
_chemical_formula_sum "Rb8 Sb8 Cl8 F24"
_cell_length_a 8.238391
_cell_length_b 8.530666
_cell_length_c 15.415517
_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 | 4959837f-ccda-46ff-97d6-af0b0700bdd8 | mp-9619 | Move all surrounding atoms within 2.964 angstrom around the center atom at index 12 by [ 1.565 -1.446 -1.735] angstrom in the cif file. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... |
MoveAroundAtomAction | 378404a5-30ea-4ddb-8217-cb078cfb15fa | mp-1120783 | Move all surrounding atoms within 1.846 angstrom around the center atom at index 39 by [-0.29 -3.438 -1.625] angstrom in the cif file. | data_image0
_chemical_formula_structural Al30C30
_chemical_formula_sum "Al30 C30"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al30C30
_chemical_formula_sum "Al30 C30"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAroundAtomAction | 662ef0c1-9650-4938-aa9f-27638ccffc70 | mp-1212973 | Move all surrounding atoms within 3.304 angstrom around the center atom at index 2 by [ 1.043 -0.037 0.489] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu3Ti2O7
_chemical_formula_sum "Eu3 Ti2 O7"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.631133560000006
_... | data_image0
_chemical_formula_structural Eu3Ti2O7
_chemical_formula_sum "Eu3 Ti2 O7"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.631133560000006
_... |
MoveAroundAtomAction | 2807461f-cd10-4c4e-83c4-7a886d79e980 | mp-699431 | Move all surrounding atoms within 1.559 angstrom around the center atom at index 8 by [-3.786 0.125 -0.982] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveAroundAtomAction | b6cd40d8-c141-4673-a0f5-69f3678a7ba3 | mp-758323 | Move all surrounding atoms within 2.215 angstrom around the center atom at index 33 by [-2.883 -2.925 -0.227] 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 | b913a609-5e97-4e5f-9189-0fdce6312357 | mp-1213028 | Move all surrounding atoms within 3.77 angstrom around the center atom at index 9 by [-0.381 -3.501 1.178] angstrom in the cif file. | data_image0
_chemical_formula_structural ErMn6Sn4Ge2
_chemical_formula_sum "Er1 Mn6 Sn4 Ge2"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural ErMn6Sn4Ge2
_chemical_formula_sum "Er1 Mn6 Sn4 Ge2"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | e57ac027-c89e-4b31-8786-997c2761f53e | mp-707519 | Move all surrounding atoms within 2.07 angstrom around the center atom at index 40 by [-0.579 -0.245 0.231] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg16Si8HO32
_chemical_formula_sum "Mg16 Si8 H1 O32"
_cell_length_a 6.102962
_cell_length_b 9.63574753
_cell_length_c 10.39727497
_cell_angle_alpha 90.16461189
_cell_angle_beta 90.64687078
_cell_angle_gamma 90.73067906
_space_group_... | data_image0
_chemical_formula_structural Mg16Si8HO32
_chemical_formula_sum "Mg16 Si8 H1 O32"
_cell_length_a 6.102962
_cell_length_b 9.63574753
_cell_length_c 10.39727497
_cell_angle_alpha 90.16461189
_cell_angle_beta 90.64687078
_cell_angle_gamma 90.73067906
_space_group_... |
MoveAroundAtomAction | 1ed58caa-dd80-44e4-bb2e-fee1d2f5e327 | mp-1043069 | Move all surrounding atoms within 3.41 angstrom around the center atom at index 18 by [-0.861 0.179 1.939] angstrom in the cif file. | data_image0
_chemical_formula_structural ZnCr4Cu3O12
_chemical_formula_sum "Zn1 Cr4 Cu3 O12"
_cell_length_a 6.35183077
_cell_length_b 6.365661799999999
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma 109.42098417... | data_image0
_chemical_formula_structural ZnCr4Cu3O12
_chemical_formula_sum "Zn1 Cr4 Cu3 O12"
_cell_length_a 6.35183077
_cell_length_b 6.365661799999999
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma 109.42098417... |
MoveAroundAtomAction | 435588ee-5640-493a-9376-8686c97b4ebd | mp-1188929 | Move all surrounding atoms within 3.242 angstrom around the center atom at index 13 by [0.575 2.907 1.445] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2Nb6S12
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_... | data_image0
_chemical_formula_structural Ti2Nb6S12
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_... |
MoveAroundAtomAction | 20bbba92-ccf2-400e-a4e1-87152e55f941 | mp-29591 | Move all surrounding atoms within 3.681 angstrom around the center atom at index 10 by [-0.983 1.169 -0.862] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb6Cl2O8
_chemical_formula_sum "Sb6 Cl2 O8"
_cell_length_a 5.32733935
_cell_length_b 5.62084491
_cell_length_c 9.74475617
_cell_angle_alpha 94.99436294000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb6Cl2O8
_chemical_formula_sum "Sb6 Cl2 O8"
_cell_length_a 5.32733935
_cell_length_b 5.62084491
_cell_length_c 9.74475617
_cell_angle_alpha 94.99436294000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 75ba9a5b-dfec-49dc-8aaa-d49b1fe9bab2 | mp-1223532 | Move all surrounding atoms within 2.387 angstrom around the center atom at index 8 by [-0.985 0.289 1.182] angstrom in the cif file. | data_image0
_chemical_formula_structural K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_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 K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_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 | 137216ed-9300-4c06-b6d0-88869e92c8a8 | mp-764512 | Move all surrounding atoms within 2.594 angstrom around the center atom at index 2 by [ 0.288 -0.252 -1.6 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Fe8B8O24
_chemical_formula_sum "Li5 Fe8 B8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... | data_image0
_chemical_formula_structural Li5Fe8B8O24
_chemical_formula_sum "Li5 Fe8 B8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... |
MoveAroundAtomAction | eca70d70-7394-47ff-be54-092842b62edf | mp-556425 | Move all surrounding atoms within 2.368 angstrom around the center atom at index 34 by [-4.71 1.39 -0.479] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb16F64
_chemical_formula_sum "Sb16 F64"
_cell_length_a 11.93503364
_cell_length_b 9.27435759
_cell_length_c 11.57642252
_cell_angle_alpha 72.80936813
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb16F64
_chemical_formula_sum "Sb16 F64"
_cell_length_a 11.93503364
_cell_length_b 9.27435759
_cell_length_c 11.57642252
_cell_angle_alpha 72.80936813
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAroundAtomAction | a00cd796-fe1c-4f3f-8972-8437039aae44 | mp-1376805 | Move all surrounding atoms within 3.951 angstrom around the center atom at index 8 by [ 1.23 -1.285 -0.016] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Fe5OF11
_chemical_formula_sum "Li3 Fe5 O1 F11"
_cell_length_a 5.256081
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamma 116.84259537
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe5OF11
_chemical_formula_sum "Li3 Fe5 O1 F11"
_cell_length_a 5.256081
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamma 116.84259537
_space_group_n... |
MoveAroundAtomAction | 01cb504a-45f2-4264-befa-5b8ffc1b0b7b | mp-769018 | Move all surrounding atoms within 3.784 angstrom around the center atom at index 25 by [-0.662 -0.949 -1.594] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAroundAtomAction | fc1fca12-f6c2-4f8f-bb59-309abab265bd | mp-1190454 | Move all surrounding atoms within 2.407 angstrom around the center atom at index 8 by [ 2.227 -1.064 1.721] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Hg2As4O14
_chemical_formula_sum "Ba2 Hg2 As4 O14"
_cell_length_a 5.946996
_cell_length_b 7.62598166
_cell_length_c 7.976073309999999
_cell_angle_alpha 101.61846343
_cell_angle_beta 90.95418678000001
_cell_angle_gamma 96.90320637
... | data_image0
_chemical_formula_structural Ba2Hg2As4O14
_chemical_formula_sum "Ba2 Hg2 As4 O14"
_cell_length_a 5.946996
_cell_length_b 7.62598166
_cell_length_c 7.976073309999999
_cell_angle_alpha 101.61846343
_cell_angle_beta 90.95418678000001
_cell_angle_gamma 96.90320637
... |
MoveAroundAtomAction | 5498159c-6979-4278-9dbc-9017c19afe09 | mp-26956 | Move all surrounding atoms within 2.453 angstrom around the center atom at index 50 by [-2.284 0.267 -0.363] angstrom in the cif file. | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_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 V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_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 | 51434c47-9049-4ad3-b745-5301122043a7 | mp-685100 | Move all surrounding atoms within 2.631 angstrom around the center atom at index 2 by [-1.057 -2.553 1.692] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu14I19
_chemical_formula_sum "Cu14 I19"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_space_gr... | data_image0
_chemical_formula_structural Cu14I19
_chemical_formula_sum "Cu14 I19"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_space_gr... |
MoveAroundAtomAction | ae739b71-0cf6-413d-ad76-ca3a90aacb19 | mp-758465 | Move all surrounding atoms within 3.938 angstrom around the center atom at index 30 by [ 1.486 1.507 -1.602] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe4Si4O16
_chemical_formula_sum "Li8 Fe4 Si4 O16"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li8Fe4Si4O16
_chemical_formula_sum "Li8 Fe4 Si4 O16"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAroundAtomAction | 73ba417d-a694-4ccc-bc36-f893442dc600 | mp-1236405 | Move all surrounding atoms within 3.943 angstrom around the center atom at index 11 by [-1.373 2.045 -1.438] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs7LiAu5O2
_chemical_formula_sum "Cs7 Li1 Au5 O2"
_cell_length_a 5.97147771
_cell_length_b 10.33391587
_cell_length_c 10.80351527
_cell_angle_alpha 118.57563323999999
_cell_angle_beta 105.98975446
_cell_angle_gamma 89.99598372000001... | data_image0
_chemical_formula_structural Cs7LiAu5O2
_chemical_formula_sum "Cs7 Li1 Au5 O2"
_cell_length_a 5.97147771
_cell_length_b 10.33391587
_cell_length_c 10.80351527
_cell_angle_alpha 118.57563323999999
_cell_angle_beta 105.98975446
_cell_angle_gamma 89.99598372000001... |
MoveAroundAtomAction | fdc77520-5cb4-4eb6-ae7a-c750dd22e5f8 | mp-26069 | Move all surrounding atoms within 2.511 angstrom around the center atom at index 67 by [ 3.845 -4.553 -1.23 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.756093
_cell_length_b 8.50317
_cell_length_c 14.72001694
_cell_angle_alpha 55.23547895
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.756093
_cell_length_b 8.50317
_cell_length_c 14.72001694
_cell_angle_alpha 55.23547895
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 4c7587f4-fc99-47b2-bd9f-6c161bcbf3d0 | mp-1220955 | Move all surrounding atoms within 3.246 angstrom around the center atom at index 10 by [-1.814 -2.458 -0.197] angstrom in the cif file. | data_image0
_chemical_formula_structural NaSr2Fe6As6
_chemical_formula_sum "Na1 Sr2 Fe6 As6"
_cell_length_a 5.51590271
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural NaSr2Fe6As6
_chemical_formula_sum "Na1 Sr2 Fe6 As6"
_cell_length_a 5.51590271
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_space_group_name_... |
MoveAroundAtomAction | 4708ad14-5105-4b75-813e-267a0b29fe93 | mp-1218118 | Move all surrounding atoms within 3.861 angstrom around the center atom at index 5 by [ 0.691 -0.944 -3.098] angstrom in the cif file. | data_image0
_chemical_formula_structural SrSm3Mn4O12
_chemical_formula_sum "Sr1 Sm3 Mn4 O12"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrSm3Mn4O12
_chemical_formula_sum "Sr1 Sm3 Mn4 O12"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | e6c4e1a8-983c-42f7-96ab-c8997ce8ba6b | mp-1111394 | Move all surrounding atoms within 3.874 angstrom around the center atom at index 1 by [ 1.682 1.829 -2.624] angstrom in the cif file. | data_image0
_chemical_formula_structural CsRb2IrF6
_chemical_formula_sum "Cs1 Rb2 Ir1 F6"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural CsRb2IrF6
_chemical_formula_sum "Cs1 Rb2 Ir1 F6"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
MoveAroundAtomAction | 248094d7-c30a-4b59-ba96-e74781324316 | mp-757501 | Move all surrounding atoms within 2.91 angstrom around the center atom at index 14 by [-1.247 -3.12 3.47 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Mn6O18
_chemical_formula_sum "Ba6 Mn6 O18"
_cell_length_a 5.69121041
_cell_length_b 5.6912105
_cell_length_c 14.053766149999998
_cell_angle_alpha 90.0000012
_cell_angle_beta 89.9999992
_cell_angle_gamma 120.00005113
_space_group... | data_image0
_chemical_formula_structural Ba6Mn6O18
_chemical_formula_sum "Ba6 Mn6 O18"
_cell_length_a 5.69121041
_cell_length_b 5.6912105
_cell_length_c 14.053766149999998
_cell_angle_alpha 90.0000012
_cell_angle_beta 89.9999992
_cell_angle_gamma 120.00005113
_space_group... |
MoveAroundAtomAction | 94026c4a-bc84-4ac8-854b-10ad9bd40804 | mp-757811 | Move all surrounding atoms within 2.483 angstrom around the center atom at index 18 by [-0.471 1.743 1.662] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6V6P8O32
_chemical_formula_sum "Li6 V6 P8 O32"
_cell_length_a 11.287402
_cell_length_b 6.188605
_cell_length_c 8.723597300000002
_cell_angle_alpha 79.1560149
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li6V6P8O32
_chemical_formula_sum "Li6 V6 P8 O32"
_cell_length_a 11.287402
_cell_length_b 6.188605
_cell_length_c 8.723597300000002
_cell_angle_alpha 79.1560149
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 74ae0a65-c0d6-4dcd-8575-e8874ba011e2 | mp-1239124 | Move all surrounding atoms within 2.961 angstrom around the center atom at index 5 by [-2.869 1.079 0.561] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr2Cr2Cu2S8
_chemical_formula_sum "Zr2 Cr2 Cu2 S8"
_cell_length_a 7.15543779
_cell_length_b 6.081561600000001
_cell_length_c 5.95362075
_cell_angle_alpha 92.72278084
_cell_angle_beta 89.99806957
_cell_angle_gamma 90.00046963
_space... | data_image0
_chemical_formula_structural Zr2Cr2Cu2S8
_chemical_formula_sum "Zr2 Cr2 Cu2 S8"
_cell_length_a 7.15543779
_cell_length_b 6.081561600000001
_cell_length_c 5.95362075
_cell_angle_alpha 92.72278084
_cell_angle_beta 89.99806957
_cell_angle_gamma 90.00046963
_space... |
MoveAroundAtomAction | aaec606c-e159-4898-82c4-fcffa7ef4f61 | mp-1224356 | Move all surrounding atoms within 3.125 angstrom around the center atom at index 0 by [ 0.751 -4.638 3.159] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge5Te4Se
_chemical_formula_sum "Ge5 Te4 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.2626... | data_image0
_chemical_formula_structural Ge5Te4Se
_chemical_formula_sum "Ge5 Te4 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.2626... |
MoveAroundAtomAction | f722dc87-e94b-45a3-ab5a-7e25a54d2de8 | mp-23043 | Move all surrounding atoms within 3.591 angstrom around the center atom at index 5 by [ 3.715 0.282 -0.753] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Pb4Br10
_chemical_formula_sum "Rb2 Pb4 Br10"
_cell_length_a 9.54845393
_cell_length_b 9.54845393
_cell_length_c 9.54845393
_cell_angle_alpha 127.32959069999995
_cell_angle_beta 127.32959069999998
_cell_angle_gamma 77.71361011
_s... | data_image0
_chemical_formula_structural Rb2Pb4Br10
_chemical_formula_sum "Rb2 Pb4 Br10"
_cell_length_a 9.54845393
_cell_length_b 9.54845393
_cell_length_c 9.54845393
_cell_angle_alpha 127.32959069999995
_cell_angle_beta 127.32959069999998
_cell_angle_gamma 77.71361011
_s... |
MoveAroundAtomAction | 274b6941-c0f6-4024-ac8a-7a17e4442dfd | mp-1110869 | Move all surrounding atoms within 2.619 angstrom around the center atom at index 5 by [-3.149 0.533 -1.649] angstrom in the cif file. | data_image0
_chemical_formula_structural K2LiBiCl6
_chemical_formula_sum "K2 Li1 Bi1 Cl6"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2LiBiCl6
_chemical_formula_sum "K2 Li1 Bi1 Cl6"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveAroundAtomAction | 25a95095-cb13-431e-9c92-b8acd9293de6 | mp-29276 | Move all surrounding atoms within 2.074 angstrom around the center atom at index 29 by [ 1.217 0.655 -1.085] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd4P12O34
_chemical_formula_sum "Cd4 P12 O34"
_cell_length_a 18.14337869
_cell_length_b 5.50104233
_cell_length_c 7.61768762
_cell_angle_alpha 68.48695643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd4P12O34
_chemical_formula_sum "Cd4 P12 O34"
_cell_length_a 18.14337869
_cell_length_b 5.50104233
_cell_length_c 7.61768762
_cell_angle_alpha 68.48695643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveAroundAtomAction | 73ffcbd4-c737-48ac-8961-2b145a0551fd | mp-504659 | Move all surrounding atoms within 3.466 angstrom around the center atom at index 2 by [ 3.904 -0.71 -0.565] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf24P12
_chemical_formula_sum "Hf24 P12"
_cell_length_a 3.58496007
_cell_length_b 12.21962583
_cell_length_c 15.00803885
_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 Hf24P12
_chemical_formula_sum "Hf24 P12"
_cell_length_a 3.58496007
_cell_length_b 12.21962583
_cell_length_c 15.00803885
_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 | 2788a747-2c96-489c-aa7e-2edba5ef55e6 | mp-1221529 | Move all surrounding atoms within 2.485 angstrom around the center atom at index 10 by [ 0.709 -1.14 -2.496] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2Zn2S8
_chemical_formula_sum "Mn2 Zn2 S8"
_cell_length_a 5.725862
_cell_length_b 5.715813
_cell_length_c 5.7419629
_cell_angle_alpha 89.56709164
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Mn2Zn2S8
_chemical_formula_sum "Mn2 Zn2 S8"
_cell_length_a 5.725862
_cell_length_b 5.715813
_cell_length_c 5.7419629
_cell_angle_alpha 89.56709164
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAroundAtomAction | 9f1d9cd2-03d3-47a3-8fd0-ac9b0077da4f | mp-31273 | Move all surrounding atoms within 3.051 angstrom around the center atom at index 6 by [-0.746 0.524 1.755] angstrom in the cif file. | data_image0
_chemical_formula_structural La8Cu4S16
_chemical_formula_sum "La8 Cu4 S16"
_cell_length_a 7.57804436
_cell_length_b 7.7499303
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural La8Cu4S16
_chemical_formula_sum "La8 Cu4 S16"
_cell_length_a 7.57804436
_cell_length_b 7.7499303
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAroundAtomAction | 36709a14-7473-48c6-8171-943cfad7bf3d | mp-1221103 | Move all surrounding atoms within 3.474 angstrom around the center atom at index 2 by [ 0.037 -0.161 0.741] angstrom in the cif file. | data_image0
_chemical_formula_structural NaV2S4O4
_chemical_formula_sum "Na1 V2 S4 O4"
_cell_length_a 3.786281
_cell_length_b 5.825814
_cell_length_c 10.46489165
_cell_angle_alpha 74.1597122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural NaV2S4O4
_chemical_formula_sum "Na1 V2 S4 O4"
_cell_length_a 3.786281
_cell_length_b 5.825814
_cell_length_c 10.46489165
_cell_angle_alpha 74.1597122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAroundAtomAction | ca03ba68-e151-42ae-953b-e9fec6fa76ca | mp-23973 | Move all surrounding atoms within 2.994 angstrom around the center atom at index 26 by [-0.535 1.08 1.687] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Mn4P4H8O20
_chemical_formula_sum "K4 Mn4 P4 H8 O20"
_cell_length_a 7.57882163
_cell_length_b 7.5755201
_cell_length_c 9.82198348
_cell_angle_alpha 70.94888752
_cell_angle_beta 70.91164623
_cell_angle_gamma 98.87216427999999
_spac... | data_image0
_chemical_formula_structural K4Mn4P4H8O20
_chemical_formula_sum "K4 Mn4 P4 H8 O20"
_cell_length_a 7.57882163
_cell_length_b 7.5755201
_cell_length_c 9.82198348
_cell_angle_alpha 70.94888752
_cell_angle_beta 70.91164623
_cell_angle_gamma 98.87216427999999
_spac... |
MoveAroundAtomAction | 96632403-4137-4fc2-8485-238301906379 | mp-1188654 | Move all surrounding atoms within 1.738 angstrom around the center atom at index 7 by [2.121 3.517 0.87 ] angstrom in the cif file. | data_image0
_chemical_formula_structural W4N4Cl12
_chemical_formula_sum "W4 N4 Cl12"
_cell_length_a 8.12441992
_cell_length_b 8.26346325
_cell_length_c 9.19329053
_cell_angle_alpha 97.92750325
_cell_angle_beta 107.37182531999999
_cell_angle_gamma 110.76745427000002
_space... | data_image0
_chemical_formula_structural W4N4Cl12
_chemical_formula_sum "W4 N4 Cl12"
_cell_length_a 8.12441992
_cell_length_b 8.26346325
_cell_length_c 9.19329053
_cell_angle_alpha 97.92750325
_cell_angle_beta 107.37182531999999
_cell_angle_gamma 110.76745427000002
_space... |
MoveAroundAtomAction | 850e8522-2345-4a4c-8df0-b02cc1c5d91e | mp-571242 | Move all surrounding atoms within 2.818 angstrom around the center atom at index 13 by [-3.288 -0.383 -2.175] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_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 Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_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 | c44042cc-bda8-4ff0-afa4-9836de5e8409 | mp-505638 | Move all surrounding atoms within 2.789 angstrom around the center atom at index 13 by [ 3.013 1.549 -4.52 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb12Cr4Se24
_chemical_formula_sum "Tb12 Cr4 Se24"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_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 Tb12Cr4Se24
_chemical_formula_sum "Tb12 Cr4 Se24"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | 176b63a4-8dc8-424b-bb52-ac5e6206cdd3 | mp-1210133 | Move all surrounding atoms within 3.017 angstrom around the center atom at index 7 by [0.235 0.734 3.418] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveAroundAtomAction | 7c0a518a-58c9-4038-8a12-0538afdbb8e1 | mp-2217302 | Move all surrounding atoms within 3.358 angstrom around the center atom at index 6 by [1.671 1.471 0.234] 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 | a7e1229f-16a6-4453-8cb0-7b3e4299d89c | mp-2715515 | Move all surrounding atoms within 3.686 angstrom around the center atom at index 27 by [ 1.647 -0.171 0.491] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Sc4In4P12O48
_chemical_formula_sum "Na12 Sc4 In4 P12 O48"
_cell_length_a 15.76486001
_cell_length_b 9.08651758
_cell_length_c 9.08837646
_cell_angle_alpha 90.03804390000002
_cell_angle_beta 125.0957745
_cell_angle_gamma 89.99739... | data_image0
_chemical_formula_structural Na12Sc4In4P12O48
_chemical_formula_sum "Na12 Sc4 In4 P12 O48"
_cell_length_a 15.76486001
_cell_length_b 9.08651758
_cell_length_c 9.08837646
_cell_angle_alpha 90.03804390000002
_cell_angle_beta 125.0957745
_cell_angle_gamma 89.99739... |
MoveAroundAtomAction | a5560510-352a-4af7-b0e6-ed59b55ba193 | mp-1102140 | Move all surrounding atoms within 2.772 angstrom around the center atom at index 4 by [ 2.535 1.189 -0.945] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_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 Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_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 | d14daa8a-7d31-455f-9397-391b86bf3ec7 | mp-1194264 | Move all surrounding atoms within 2.799 angstrom around the center atom at index 9 by [ 0.745 -0.763 -1.437] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc6Al16Ni7
_chemical_formula_sum "Sc6 Al16 Ni7"
_cell_length_a 8.53691573
_cell_length_b 8.53691573
_cell_length_c 8.53691573
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Sc6Al16Ni7
_chemical_formula_sum "Sc6 Al16 Ni7"
_cell_length_a 8.53691573
_cell_length_b 8.53691573
_cell_length_c 8.53691573
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
MoveAroundAtomAction | fe8beb8d-d25b-45f2-a8bd-6f9fa4682764 | mp-2226919 | Move all surrounding atoms within 3.306 angstrom around the center atom at index 14 by [-0.267 6.456 1.279] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe2Mo2Cl2O8
_chemical_formula_sum "Mg1 Fe2 Mo2 Cl2 O8"
_cell_length_a 5.33320689
_cell_length_b 7.18641312
_cell_length_c 7.20677149
_cell_angle_alpha 92.84107388
_cell_angle_beta 89.34579586
_cell_angle_gamma 89.2235641
_space_g... | data_image0
_chemical_formula_structural MgFe2Mo2Cl2O8
_chemical_formula_sum "Mg1 Fe2 Mo2 Cl2 O8"
_cell_length_a 5.33320689
_cell_length_b 7.18641312
_cell_length_c 7.20677149
_cell_angle_alpha 92.84107388
_cell_angle_beta 89.34579586
_cell_angle_gamma 89.2235641
_space_g... |
MoveAroundAtomAction | bfe2ac9c-c29c-4002-b48c-8e237735b228 | mp-2240560 | Move all surrounding atoms within 2.18 angstrom around the center atom at index 1 by [ 0.237 0.683 -0.4 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... |
MoveAroundAtomAction | dea1d66b-7e8b-4dce-b12e-64c807f89b9e | mp-770718 | Move all surrounding atoms within 3.172 angstrom around the center atom at index 32 by [-0.403 -0.029 0.799] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4I8O24
_chemical_formula_sum "Mg4 I8 O24"
_cell_length_a 5.390324
_cell_length_b 5.70446
_cell_length_c 17.26379
_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 Mg4I8O24
_chemical_formula_sum "Mg4 I8 O24"
_cell_length_a 5.390324
_cell_length_b 5.70446
_cell_length_c 17.26379
_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 | 44e6719b-6748-44a5-92a2-ff3fd5d8495d | mp-704184 | Move all surrounding atoms within 3.978 angstrom around the center atom at index 67 by [ 2.629 1.969 -1.058] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn4P16O48
_chemical_formula_sum "Li4 Mn4 P16 O48"
_cell_length_a 9.314677
_cell_length_b 9.314677
_cell_length_c 9.332751
_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 Li4Mn4P16O48
_chemical_formula_sum "Li4 Mn4 P16 O48"
_cell_length_a 9.314677
_cell_length_b 9.314677
_cell_length_c 9.332751
_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 | fa3e7d19-ce70-4e52-9c6c-45c790ce082a | mp-1336779 | Move all surrounding atoms within 2.416 angstrom around the center atom at index 20 by [-2.01 1.972 1.323] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu20Fe10S40
_chemical_formula_sum "Lu20 Fe10 S40"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural Lu20Fe10S40
_chemical_formula_sum "Lu20 Fe10 S40"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma 11... |
MoveAroundAtomAction | 03286e2d-9909-4282-b129-d79cfc5c8b63 | mp-1516503 | Move all surrounding atoms within 3.078 angstrom around the center atom at index 5 by [ 1.422 1.024 -0.47 ] angstrom in the cif file. | data_image0
_chemical_formula_structural KHfNbInO6
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KHfNbInO6
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
MoveAroundAtomAction | 42c733b2-a94e-4fd8-b0c9-94c101986fb3 | mp-1195261 | Move all surrounding atoms within 3.675 angstrom around the center atom at index 59 by [ 0.099 -1.369 -4.676] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag6Sb8F48
_chemical_formula_sum "Ag6 Sb8 F48"
_cell_length_a 10.98733358
_cell_length_b 10.987333580000001
_cell_length_c 10.987333580000001
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063... | data_image0
_chemical_formula_structural Ag6Sb8F48
_chemical_formula_sum "Ag6 Sb8 F48"
_cell_length_a 10.98733358
_cell_length_b 10.987333580000001
_cell_length_c 10.987333580000001
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063... |
MoveAroundAtomAction | 1e7a9a0f-7f7d-45b9-9597-5c59096877d7 | mp-1099676 | Move all surrounding atoms within 3.967 angstrom around the center atom at index 18 by [-0.362 1.156 2.394] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Sr4CoCu7O24
_chemical_formula_sum "Ba4 Sr4 Co1 Cu7 O24"
_cell_length_a 7.91666219
_cell_length_b 7.91666219
_cell_length_c 7.92090246
_cell_angle_alpha 89.93417752
_cell_angle_beta 89.93417752
_cell_angle_gamma 90.00985648
_spac... | data_image0
_chemical_formula_structural Ba4Sr4CoCu7O24
_chemical_formula_sum "Ba4 Sr4 Co1 Cu7 O24"
_cell_length_a 7.91666219
_cell_length_b 7.91666219
_cell_length_c 7.92090246
_cell_angle_alpha 89.93417752
_cell_angle_beta 89.93417752
_cell_angle_gamma 90.00985648
_spac... |
MoveAroundAtomAction | b7ccddbe-7196-494e-a583-848812f616df | mp-779526 | Move all surrounding atoms within 2.669 angstrom around the center atom at index 3 by [ 3.137 1.84 -0.957] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe10O14F6
_chemical_formula_sum "Fe10 O14 F6"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.42331972
_sp... | data_image0
_chemical_formula_structural Fe10O14F6
_chemical_formula_sum "Fe10 O14 F6"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.42331972
_sp... |
MoveAroundAtomAction | 9e4d00af-338c-4e2d-a176-fdc09981e38f | mp-770481 | Move all surrounding atoms within 1.862 angstrom around the center atom at index 26 by [ 1.69 3.849 -1.34 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... | data_image0
_chemical_formula_structural Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... |
MoveAroundAtomAction | e3685bd0-2879-4484-ad80-82d4d93d3da0 | mp-505712 | Move all surrounding atoms within 2.64 angstrom around the center atom at index 9 by [ 3.797 1.707 -2.273] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se6
_chemical_formula_sum "Cs2 Ho2 Zn2 Se6"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_group_name... | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se6
_chemical_formula_sum "Cs2 Ho2 Zn2 Se6"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_group_name... |
MoveAroundAtomAction | 10f7c6c5-1e46-4948-97db-a515e950a46a | mp-27148 | Move all surrounding atoms within 2.391 angstrom around the center atom at index 4 by [ 1.601 0.38 -3.844] angstrom in the cif file. | data_image0
_chemical_formula_structural Be8P16
_chemical_formula_sum "Be8 P16"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... | data_image0
_chemical_formula_structural Be8P16
_chemical_formula_sum "Be8 P16"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... |
MoveAroundAtomAction | ecd3667c-8947-4bd6-8691-e8a4f3add0a9 | mp-756674 | Move all surrounding atoms within 2.306 angstrom around the center atom at index 25 by [-0.094 -2.933 -0.143] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Mn4O8F4
_chemical_formula_sum "Li12 Mn4 O8 F4"
_cell_length_a 9.02285
_cell_length_b 9.97236
_cell_length_c 3.55013
_cell_angle_alpha 89.99999425
_cell_angle_beta 89.99999365
_cell_angle_gamma 90.00002418999999
_space_group_nam... | data_image0
_chemical_formula_structural Li12Mn4O8F4
_chemical_formula_sum "Li12 Mn4 O8 F4"
_cell_length_a 9.02285
_cell_length_b 9.97236
_cell_length_c 3.55013
_cell_angle_alpha 89.99999425
_cell_angle_beta 89.99999365
_cell_angle_gamma 90.00002418999999
_space_group_nam... |
MoveAroundAtomAction | a413b43b-23ad-4a99-a26a-8438dee8ef31 | mp-766361 | Move all surrounding atoms within 3.412 angstrom around the center atom at index 10 by [ 1.745 1.333 -1.786] 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 | d9049905-14a1-42ec-8148-1cd6438ec29e | mp-1185716 | Move all surrounding atoms within 3.867 angstrom around the center atom at index 11 by [ 1.101 -1.776 6.086] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg16Al12V
_chemical_formula_sum "Mg16 Al12 V1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914999999
_... | data_image0
_chemical_formula_structural Mg16Al12V
_chemical_formula_sum "Mg16 Al12 V1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914999999
_... |
MoveAroundAtomAction | 95699887-866d-47c7-9f1c-79a941d7ee7c | mp-1212246 | Move all surrounding atoms within 3.752 angstrom around the center atom at index 2 by [ 0.788 2.144 -1.901] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho10In8Pt4
_chemical_formula_sum "Ho10 In8 Pt4"
_cell_length_a 3.60929981
_cell_length_b 8.03796694
_cell_length_c 18.09545145
_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 Ho10In8Pt4
_chemical_formula_sum "Ho10 In8 Pt4"
_cell_length_a 3.60929981
_cell_length_b 8.03796694
_cell_length_c 18.09545145
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAroundAtomAction | aa249e1f-637d-4629-be80-4fa8aa6cc92d | mp-1567262 | Move all surrounding atoms within 3.918 angstrom around the center atom at index 20 by [0.081 0.94 1.593] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... |
MoveAroundAtomAction | 3c92e205-a9ec-4903-9deb-bb12ffc2dd04 | mp-26157 | Move all surrounding atoms within 3.775 angstrom around the center atom at index 30 by [-2.609 -1.462 -0.617] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Sb4P16O48
_chemical_formula_sum "Li4 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li4Sb4P16O48
_chemical_formula_sum "Li4 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveAroundAtomAction | bfde740c-d784-4be0-a4bb-176834e7b78f | mp-8876 | Move all surrounding atoms within 3.179 angstrom around the center atom at index 14 by [ 1.772 -1.691 6.346] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Al6SO12
_chemical_formula_sum "Ca4 Al6 S1 O12"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Ca4Al6SO12
_chemical_formula_sum "Ca4 Al6 S1 O12"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... |
MoveAroundAtomAction | ce0fa9c3-088c-4b95-9a82-5f5e7ab843cc | mp-1276479 | Move all surrounding atoms within 2.68 angstrom around the center atom at index 5 by [-1.964 3.371 1.187] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Ni10O12
_chemical_formula_sum "Na2 Ni10 O12"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.34237754000002
_s... | data_image0
_chemical_formula_structural Na2Ni10O12
_chemical_formula_sum "Na2 Ni10 O12"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.34237754000002
_s... |
MoveAroundAtomAction | ac518aa1-0663-4392-9afd-abc4ac0cc542 | mp-23662 | Move all surrounding atoms within 2.343 angstrom around the center atom at index 33 by [1.273 2.2 0.142] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8B8H32O32
_chemical_formula_sum "Li8 B8 H32 O32"
_cell_length_a 7.844409
_cell_length_b 8.634831
_cell_length_c 9.266105
_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 Li8B8H32O32
_chemical_formula_sum "Li8 B8 H32 O32"
_cell_length_a 7.844409
_cell_length_b 8.634831
_cell_length_c 9.266105
_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 | 7b08cdb8-3acb-45eb-883a-6fed8900b600 | mp-29127 | Move all surrounding atoms within 3.512 angstrom around the center atom at index 7 by [ 2.298 -1.871 0.189] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi2Te4Br8
_chemical_formula_sum "Bi2 Te4 Br8"
_cell_length_a 7.514459
_cell_length_b 8.04406023
_cell_length_c 9.36347189
_cell_angle_alpha 91.57138378999998
_cell_angle_beta 102.75868788
_cell_angle_gamma 94.76176305
_space_group_... | data_image0
_chemical_formula_structural Bi2Te4Br8
_chemical_formula_sum "Bi2 Te4 Br8"
_cell_length_a 7.514459
_cell_length_b 8.04406023
_cell_length_c 9.36347189
_cell_angle_alpha 91.57138378999998
_cell_angle_beta 102.75868788
_cell_angle_gamma 94.76176305
_space_group_... |
MoveAroundAtomAction | 1fdf905d-d86e-47e6-acae-d5ff5cd4af3c | mp-1219592 | Move all surrounding atoms within 2.911 angstrom around the center atom at index 12 by [ 1.367 -2.103 3.392] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb8Cl2O11
_chemical_formula_sum "Sb8 Cl2 O11"
_cell_length_a 4.215232
_cell_length_b 9.16309455
_cell_length_c 11.47414414
_cell_angle_alpha 82.3210295
_cell_angle_beta 86.84209477
_cell_angle_gamma 79.9924929
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sb8Cl2O11
_chemical_formula_sum "Sb8 Cl2 O11"
_cell_length_a 4.215232
_cell_length_b 9.16309455
_cell_length_c 11.47414414
_cell_angle_alpha 82.3210295
_cell_angle_beta 86.84209477
_cell_angle_gamma 79.9924929
_space_group_name_H-M... |
MoveAroundAtomAction | 642f0b9e-78cc-4bec-8d14-6da1dc0ced5d | mp-627632 | Move all surrounding atoms within 2.552 angstrom around the center atom at index 17 by [ 0.458 -1.142 3.061] angstrom in the cif file. | data_image0
_chemical_formula_structural Si16H8O36
_chemical_formula_sum "Si16 H8 O36"
_cell_length_a 7.61883303
_cell_length_b 7.618833030000001
_cell_length_c 15.73186293
_cell_angle_alpha 76.02641733
_cell_angle_beta 76.02641733
_cell_angle_gamma 89.99807501000001
_spa... | data_image0
_chemical_formula_structural Si16H8O36
_chemical_formula_sum "Si16 H8 O36"
_cell_length_a 7.61883303
_cell_length_b 7.618833030000001
_cell_length_c 15.73186293
_cell_angle_alpha 76.02641733
_cell_angle_beta 76.02641733
_cell_angle_gamma 89.99807501000001
_spa... |
MoveAroundAtomAction | 3ae880a0-d844-42fe-b976-81274e977a80 | mp-776484 | Move all surrounding atoms within 3.715 angstrom around the center atom at index 65 by [3.755 3.302 0.012] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Sn6P16O58
_chemical_formula_sum "Li12 Sn6 P16 O58"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
_space... | data_image0
_chemical_formula_structural Li12Sn6P16O58
_chemical_formula_sum "Li12 Sn6 P16 O58"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
_space... |
MoveAroundAtomAction | 043bec71-ecab-4976-b460-70177708923a | mp-1191019 | Move all surrounding atoms within 2.406 angstrom around the center atom at index 16 by [-0.041 0.871 0.479] angstrom in the cif file. | data_image0
_chemical_formula_structural Er2Mn12P7
_chemical_formula_sum "Er2 Mn12 P7"
_cell_length_a 9.28351044
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Er2Mn12P7
_chemical_formula_sum "Er2 Mn12 P7"
_cell_length_a 9.28351044
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | 0c282423-2245-4c76-bdee-8aab42fb8cf0 | mp-1172905 | Move all surrounding atoms within 3.56 angstrom around the center atom at index 3 by [ 1.424 -1.687 -0.176] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... |
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