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 | 3d9778d3-4087-4472-9f3d-d0da763a689b | mp-1204185 | Move all surrounding atoms within 2.598 angstrom around the center atom at index 35 by [-0.385 0.636 -2.687] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag12Te8W6O40
_chemical_formula_sum "Ag12 Te8 W6 O40"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... | data_image0
_chemical_formula_structural Ag12Te8W6O40
_chemical_formula_sum "Ag12 Te8 W6 O40"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... |
MoveAroundAtomAction | f56f4301-2fad-48a8-b964-20ccf4bc7ce3 | mp-560603 | Move all surrounding atoms within 3.657 angstrom around the center atom at index 38 by [-1.374 -2.022 -2.167] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Mg2Si10O24
_chemical_formula_sum "Na4 Mg2 Si10 O24"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Mg2Si10O24
_chemical_formula_sum "Na4 Mg2 Si10 O24"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 7ea3f574-b5fd-40ec-8818-e5c7d129a6ea | mp-703305 | Move all surrounding atoms within 3.811 angstrom around the center atom at index 17 by [-1.786 1.028 3.501] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8P4H4O16
_chemical_formula_sum "Na8 P4 H4 O16"
_cell_length_a 6.927296
_cell_length_b 5.506799
_cell_length_c 11.080738149999998
_cell_angle_alpha 63.67625642000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Na8P4H4O16
_chemical_formula_sum "Na8 P4 H4 O16"
_cell_length_a 6.927296
_cell_length_b 5.506799
_cell_length_c 11.080738149999998
_cell_angle_alpha 63.67625642000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
MoveAroundAtomAction | 7581ae95-6a9d-4236-b768-e2ea88cfb1fe | mp-1220650 | Move all surrounding atoms within 2.587 angstrom around the center atom at index 2 by [-0.352 0.894 3.427] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4B20Mo11
_chemical_formula_sum "Nb4 B20 Mo11"
_cell_length_a 3.10222374
_cell_length_b 3.20556237
_cell_length_c 35.07391058
_cell_angle_alpha 92.61917236
_cell_angle_beta 92.53468053
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Nb4B20Mo11
_chemical_formula_sum "Nb4 B20 Mo11"
_cell_length_a 3.10222374
_cell_length_b 3.20556237
_cell_length_c 35.07391058
_cell_angle_alpha 92.61917236
_cell_angle_beta 92.53468053
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAroundAtomAction | ae1da349-2df6-457f-8e29-c53a767d196b | mp-1028096 | Move all surrounding atoms within 3.751 angstrom around the center atom at index 9 by [ 0.955 0.295 -1.49 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14MnSi
_chemical_formula_sum "Mg14 Mn1 Si1"
_cell_length_a 6.20733672
_cell_length_b 6.20733624
_cell_length_c 10.20989807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000254
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg14MnSi
_chemical_formula_sum "Mg14 Mn1 Si1"
_cell_length_a 6.20733672
_cell_length_b 6.20733624
_cell_length_c 10.20989807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000254
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | 9dd6e0bd-3263-4793-872d-601e9723d582 | mp-27041 | Move all surrounding atoms within 2.917 angstrom around the center atom at index 0 by [0.665 2.004 0.049] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Cr2P2O8
_chemical_formula_sum "Li2 Cr2 P2 O8"
_cell_length_a 7.39277275
_cell_length_b 6.28365082
_cell_length_c 5.58373517
_cell_angle_alpha 76.81230335
_cell_angle_beta 55.84855332
_cell_angle_gamma 47.33914332999999
_space_gr... | data_image0
_chemical_formula_structural Li2Cr2P2O8
_chemical_formula_sum "Li2 Cr2 P2 O8"
_cell_length_a 7.39277275
_cell_length_b 6.28365082
_cell_length_c 5.58373517
_cell_angle_alpha 76.81230335
_cell_angle_beta 55.84855332
_cell_angle_gamma 47.33914332999999
_space_gr... |
MoveAroundAtomAction | 61a1583d-d844-4e56-936d-e353cd95432f | mp-753731 | Move all surrounding atoms within 3.274 angstrom around the center atom at index 4 by [6.328 2.551 0.841] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Ca2I12
_chemical_formula_sum "Ba4 Ca2 I12"
_cell_length_a 7.898283
_cell_length_b 7.898283
_cell_length_c 15.327723
_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 Ba4Ca2I12
_chemical_formula_sum "Ba4 Ca2 I12"
_cell_length_a 7.898283
_cell_length_b 7.898283
_cell_length_c 15.327723
_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 | 12f070ee-a316-47eb-9f02-27b74a10963c | mp-17728 | Move all surrounding atoms within 3.126 angstrom around the center atom at index 9 by [-3.708 0.831 1.518] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta12Ge4
_chemical_formula_sum "Ta12 Ge4"
_cell_length_a 5.16276376
_cell_length_b 7.76695316
_cell_length_c 7.766400059999999
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467
_cell_angle_gamma 70.59385505
_space_group_name_... | data_image0
_chemical_formula_structural Ta12Ge4
_chemical_formula_sum "Ta12 Ge4"
_cell_length_a 5.16276376
_cell_length_b 7.76695316
_cell_length_c 7.766400059999999
_cell_angle_alpha 83.6458981
_cell_angle_beta 70.5954467
_cell_angle_gamma 70.59385505
_space_group_name_... |
MoveAroundAtomAction | 1446332b-f0fa-4341-a8dc-9dba10fe4311 | mp-753829 | Move all surrounding atoms within 2.53 angstrom around the center atom at index 9 by [ 0.487 1.106 -1.638] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4O6
_chemical_formula_sum "Cr4 O6"
_cell_length_a 5.05742377
_cell_length_b 5.52757376
_cell_length_c 5.05742872
_cell_angle_alpha 117.22418826999998
_cell_angle_beta 60.000020160000005
_cell_angle_gamma 117.22412718999999
_space... | data_image0
_chemical_formula_structural Cr4O6
_chemical_formula_sum "Cr4 O6"
_cell_length_a 5.05742377
_cell_length_b 5.52757376
_cell_length_c 5.05742872
_cell_angle_alpha 117.22418826999998
_cell_angle_beta 60.000020160000005
_cell_angle_gamma 117.22412718999999
_space... |
MoveAroundAtomAction | 3e6cb5c7-114d-4c98-b2b6-0583dae26614 | mp-615141 | Move all surrounding atoms within 3.803 angstrom around the center atom at index 2 by [-1.507 -0.083 -1.083] angstrom in the cif file. | data_image0
_chemical_formula_structural Pb2Cl4O8
_chemical_formula_sum "Pb2 Cl4 O8"
_cell_length_a 7.15446275
_cell_length_b 7.1544627499999995
_cell_length_c 6.113388
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.35804315
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pb2Cl4O8
_chemical_formula_sum "Pb2 Cl4 O8"
_cell_length_a 7.15446275
_cell_length_b 7.1544627499999995
_cell_length_c 6.113388
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.35804315
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 08966e11-0cd3-46d1-a34e-7ea29166c921 | mp-559248 | Move all surrounding atoms within 2.831 angstrom around the center atom at index 60 by [-1.647 0.314 2.166] angstrom in the cif file. | data_image0
_chemical_formula_structural V4H40N8O8F16
_chemical_formula_sum "V4 H40 N8 O8 F16"
_cell_length_a 9.807839
_cell_length_b 7.079551
_cell_length_c 10.31354053
_cell_angle_alpha 78.36193377
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V4H40N8O8F16
_chemical_formula_sum "V4 H40 N8 O8 F16"
_cell_length_a 9.807839
_cell_length_b 7.079551
_cell_length_c 10.31354053
_cell_angle_alpha 78.36193377
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 4b4644f1-5bfb-46d5-9f8c-ec000f6b6fd6 | mp-1221196 | Move all surrounding atoms within 3.285 angstrom around the center atom at index 10 by [-0.892 2.374 -2.233] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4EuSi2Te6
_chemical_formula_sum "Na4 Eu1 Si2 Te6"
_cell_length_a 7.72061593
_cell_length_b 7.72061593
_cell_length_c 8.51669282
_cell_angle_alpha 81.26596297
_cell_angle_beta 81.26596297
_cell_angle_gamma 119.89827411
_space_grou... | data_image0
_chemical_formula_structural Na4EuSi2Te6
_chemical_formula_sum "Na4 Eu1 Si2 Te6"
_cell_length_a 7.72061593
_cell_length_b 7.72061593
_cell_length_c 8.51669282
_cell_angle_alpha 81.26596297
_cell_angle_beta 81.26596297
_cell_angle_gamma 119.89827411
_space_grou... |
MoveAroundAtomAction | 8317f5ce-d05a-41da-8f9a-99a674000dff | mp-1032871 | Move all surrounding atoms within 2.926 angstrom around the center atom at index 11 by [ 2.379 -0.023 -0.168] angstrom in the cif file. | data_image0
_chemical_formula_structural HfMg6AlO8
_chemical_formula_sum "Hf1 Mg6 Al1 O8"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_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 HfMg6AlO8
_chemical_formula_sum "Hf1 Mg6 Al1 O8"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAroundAtomAction | 4bfef569-91de-4fc4-acc5-17d8baad224a | mp-1225071 | Move all surrounding atoms within 3.451 angstrom around the center atom at index 6 by [ 2.269 2.121 -0.543] angstrom in the cif file. | data_image0
_chemical_formula_structural ErAl6Cu6
_chemical_formula_sum "Er1 Al6 Cu6"
_cell_length_a 4.97331248
_cell_length_b 6.563630650000001
_cell_length_c 6.5636306499999995
_cell_angle_alpha 99.08310517
_cell_angle_beta 112.26270552
_cell_angle_gamma 67.73729448
_sp... | data_image0
_chemical_formula_structural ErAl6Cu6
_chemical_formula_sum "Er1 Al6 Cu6"
_cell_length_a 4.97331248
_cell_length_b 6.563630650000001
_cell_length_c 6.5636306499999995
_cell_angle_alpha 99.08310517
_cell_angle_beta 112.26270552
_cell_angle_gamma 67.73729448
_sp... |
MoveAroundAtomAction | 84cc2970-245a-484b-a29e-928eee9b488d | mp-1644899 | Move all surrounding atoms within 1.604 angstrom around the center atom at index 24 by [ 2.177 0.599 -0.239] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... |
MoveAroundAtomAction | 37575b32-4d7d-4f9e-a956-c1f7975f77ae | mp-1023480 | Move all surrounding atoms within 3.222 angstrom around the center atom at index 15 by [ 1.084 1.75 -0.979] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12Al2Ni2
_chemical_formula_sum "Mg12 Al2 Ni2"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 10.46779
_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 Mg12Al2Ni2
_chemical_formula_sum "Mg12 Al2 Ni2"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 10.46779
_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 | 630ec705-60e6-438e-a252-dacd370d076d | mp-778508 | Move all surrounding atoms within 2.431 angstrom around the center atom at index 53 by [1.246 1.22 1.289] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Mn4V4P12O48
_chemical_formula_sum "Li12 Mn4 V4 P12 O48"
_cell_length_a 9.831781
_cell_length_b 9.87281945
_cell_length_c 9.92081065
_cell_angle_alpha 85.77918818999999
_cell_angle_beta 87.70494136999999
_cell_angle_gamma 87.5770... | data_image0
_chemical_formula_structural Li12Mn4V4P12O48
_chemical_formula_sum "Li12 Mn4 V4 P12 O48"
_cell_length_a 9.831781
_cell_length_b 9.87281945
_cell_length_c 9.92081065
_cell_angle_alpha 85.77918818999999
_cell_angle_beta 87.70494136999999
_cell_angle_gamma 87.5770... |
MoveAroundAtomAction | 255b59a7-5d6d-43ed-8e69-efa89838d65f | mp-779444 | Move all surrounding atoms within 2.653 angstrom around the center atom at index 2 by [-2.601 -1.96 4.303] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Fe2B4O12
_chemical_formula_sum "Li4 Mn2 Fe2 B4 O12"
_cell_length_a 5.23969178
_cell_length_b 8.20273029
_cell_length_c 5.99169676
_cell_angle_alpha 77.13265952
_cell_angle_beta 89.0143268
_cell_angle_gamma 90.75553767
_space_... | data_image0
_chemical_formula_structural Li4Mn2Fe2B4O12
_chemical_formula_sum "Li4 Mn2 Fe2 B4 O12"
_cell_length_a 5.23969178
_cell_length_b 8.20273029
_cell_length_c 5.99169676
_cell_angle_alpha 77.13265952
_cell_angle_beta 89.0143268
_cell_angle_gamma 90.75553767
_space_... |
MoveAroundAtomAction | 442e0c7e-ae0d-4894-9cc9-90b80af7a97f | mp-777904 | Move all surrounding atoms within 3.865 angstrom around the center atom at index 27 by [-1.422 -1.691 -0.578] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti6Cr2O16
_chemical_formula_sum "Li4 Ti6 Cr2 O16"
_cell_length_a 5.89554411
_cell_length_b 5.8955441099999994
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000123
_space_group_name_... | data_image0
_chemical_formula_structural Li4Ti6Cr2O16
_chemical_formula_sum "Li4 Ti6 Cr2 O16"
_cell_length_a 5.89554411
_cell_length_b 5.8955441099999994
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000123
_space_group_name_... |
MoveAroundAtomAction | 93a7272b-b992-4637-8e0f-1b60fd3d67ea | mp-1020592 | Move all surrounding atoms within 2.246 angstrom around the center atom at index 21 by [-2.925 -0.558 0.385] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Li4Si8N16O2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_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 Sr8Li4Si8N16O2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | 164117f2-21a8-40d7-951e-87ec7183954f | mp-1386638 | Move all surrounding atoms within 2.351 angstrom around the center atom at index 9 by [-2.762 -0.7 2.692] angstrom in the cif file. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... |
MoveAroundAtomAction | f85a4529-2409-4967-ab11-af578ae8da68 | mp-19489 | Move all surrounding atoms within 3.7 angstrom around the center atom at index 15 by [ 1.737 -2.124 1.568] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAroundAtomAction | 5f4ae41b-3dc8-4a1e-9f24-f69ea75e08a8 | mp-6955 | Move all surrounding atoms within 3.812 angstrom around the center atom at index 1 by [-0.334 0.925 -3.206] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Ge4N4O4
_chemical_formula_sum "K4 Ge4 N4 O4"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_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 K4Ge4N4O4
_chemical_formula_sum "K4 Ge4 N4 O4"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_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 | e5a8bed8-0df6-46e6-9fbe-1fbfab1c2956 | mp-770361 | Move all surrounding atoms within 3.252 angstrom around the center atom at index 7 by [-2.428 3.244 0.992] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V8B4O20
_chemical_formula_sum "Li4 V8 B4 O20"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 12.401503
_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 Li4V8B4O20
_chemical_formula_sum "Li4 V8 B4 O20"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 12.401503
_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 | 675a05c6-34ed-4889-b7d8-a64e3e584c74 | mp-7998 | Move all surrounding atoms within 3.963 angstrom around the center atom at index 14 by [ 3.014 -2.535 -0.912] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ge4O10
_chemical_formula_sum "Li4 Ge4 O10"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ge4O10
_chemical_formula_sum "Li4 Ge4 O10"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt "P... |
MoveAroundAtomAction | ccbb156b-7e15-4093-883f-bee8e2b1249e | mp-1190131 | Move all surrounding atoms within 2.679 angstrom around the center atom at index 7 by [-1.145 1.841 -0.564] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Sc4S12
_chemical_formula_sum "La4 Sc4 S12"
_cell_length_a 6.58114518
_cell_length_b 7.21722551
_cell_length_c 9.64897414
_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 La4Sc4S12
_chemical_formula_sum "La4 Sc4 S12"
_cell_length_a 6.58114518
_cell_length_b 7.21722551
_cell_length_c 9.64897414
_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 | a298d422-6e51-416c-aa2d-eb0dc96e02c6 | mp-1105068 | Move all surrounding atoms within 2.596 angstrom around the center atom at index 6 by [-0.175 4.527 -0.607] angstrom in the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... |
MoveAroundAtomAction | 6aadd8cc-b465-4eaa-bcc1-4c627514baab | mp-774789 | Move all surrounding atoms within 2.835 angstrom around the center atom at index 4 by [-2.068 -1.409 1.436] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74.97335... | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74.97335... |
MoveAroundAtomAction | f513debe-7dc7-4d63-bd83-9e7b7448e146 | mp-23013 | Move all surrounding atoms within 3.119 angstrom around the center atom at index 1 by [ 0.478 -1.248 2.3 ] angstrom in the cif file. | data_image0
_chemical_formula_structural U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 | 6dc1ec1b-cc62-4e83-8e87-c9c16f11667c | mp-1220955 | Move all surrounding atoms within 3.908 angstrom around the center atom at index 4 by [0.977 1.286 0.586] 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 | bd55096f-2f7b-4562-b8d7-c9414d895c39 | mp-1360929 | Move all surrounding atoms within 3.64 angstrom around the center atom at index 7 by [ 2.011 1.775 -2.466] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg3Cr6Fe4O24
_chemical_formula_sum "Mg3 Cr6 Fe4 O24"
_cell_length_a 6.69328991
_cell_length_b 8.15055763
_cell_length_c 9.82946339
_cell_angle_alpha 104.80703253
_cell_angle_beta 105.89604363
_cell_angle_gamma 102.07778496
_space_g... | data_image0
_chemical_formula_structural Mg3Cr6Fe4O24
_chemical_formula_sum "Mg3 Cr6 Fe4 O24"
_cell_length_a 6.69328991
_cell_length_b 8.15055763
_cell_length_c 9.82946339
_cell_angle_alpha 104.80703253
_cell_angle_beta 105.89604363
_cell_angle_gamma 102.07778496
_space_g... |
MoveAroundAtomAction | 6e3046e1-ef75-4bf3-899a-9a880224a88a | mp-770481 | Move all surrounding atoms within 3.198 angstrom around the center atom at index 11 by [-0.33 1.907 1.934] 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 | 58d34f91-87b7-49f3-8a84-b7dd6573eb7a | mp-1193081 | Move all surrounding atoms within 2.103 angstrom around the center atom at index 14 by [ 2.337 -2.977 -1.581] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs12Cr4O14
_chemical_formula_sum "Cs12 Cr4 O14"
_cell_length_a 7.2455194
_cell_length_b 9.81900027
_cell_length_c 9.892262060000002
_cell_angle_alpha 89.99825766
_cell_angle_beta 90.89857344999999
_cell_angle_gamma 90.00020682000002... | data_image0
_chemical_formula_structural Cs12Cr4O14
_chemical_formula_sum "Cs12 Cr4 O14"
_cell_length_a 7.2455194
_cell_length_b 9.81900027
_cell_length_c 9.892262060000002
_cell_angle_alpha 89.99825766
_cell_angle_beta 90.89857344999999
_cell_angle_gamma 90.00020682000002... |
MoveAroundAtomAction | f6a9c82c-8237-45a1-a990-ef9a0599c424 | mp-13514 | Move all surrounding atoms within 3.655 angstrom around the center atom at index 16 by [-1.124 0.556 1.458] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4B4O12
_chemical_formula_sum "Nd4 B4 O12"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
_space... | data_image0
_chemical_formula_structural Nd4B4O12
_chemical_formula_sum "Nd4 B4 O12"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
_space... |
MoveAroundAtomAction | 6817b323-2931-4387-8964-6b38cec02a90 | mp-17256 | Move all surrounding atoms within 3.508 angstrom around the center atom at index 3 by [ 1.105 -1.283 -2.071] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Hf6O2F24
_chemical_formula_sum "Rb4 Hf6 O2 F24"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.33193677000000... | data_image0
_chemical_formula_structural Rb4Hf6O2F24
_chemical_formula_sum "Rb4 Hf6 O2 F24"
_cell_length_a 10.8372027
_cell_length_b 10.837202699999999
_cell_length_c 10.83720311
_cell_angle_alpha 41.33193428
_cell_angle_beta 41.33193428
_cell_angle_gamma 41.33193677000000... |
MoveAroundAtomAction | c01117d3-b993-4087-ac4c-4eaa7632573c | mp-1221954 | Move all surrounding atoms within 2.395 angstrom around the center atom at index 8 by [ 1.904 0.371 -1.677] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTi2ZnO6
_chemical_formula_sum "Mg1 Ti2 Zn1 O6"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787... | data_image0
_chemical_formula_structural MgTi2ZnO6
_chemical_formula_sum "Mg1 Ti2 Zn1 O6"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787... |
MoveAroundAtomAction | ec9396d7-65ec-4c9b-954c-c6a2550c7a47 | mp-1181584 | Move all surrounding atoms within 1.468 angstrom around the center atom at index 7 by [-3.117 1.483 0.02 ] angstrom in the cif file. | data_image0
_chemical_formula_structural H16C4N16O8
_chemical_formula_sum "H16 C4 N16 O8"
_cell_length_a 15.64905994
_cell_length_b 12.69497605
_cell_length_c 9.453627849999998
_cell_angle_alpha 88.65347747000001
_cell_angle_beta 54.19426781999998
_cell_angle_gamma 37.1522... | data_image0
_chemical_formula_structural H16C4N16O8
_chemical_formula_sum "H16 C4 N16 O8"
_cell_length_a 15.64905994
_cell_length_b 12.69497605
_cell_length_c 9.453627849999998
_cell_angle_alpha 88.65347747000001
_cell_angle_beta 54.19426781999998
_cell_angle_gamma 37.1522... |
MoveAroundAtomAction | 8c430907-88f1-4fee-a069-5bf7459550a0 | mp-1193732 | Move all surrounding atoms within 3.251 angstrom around the center atom at index 15 by [-0.785 2.92 -1.271] angstrom in the cif file. | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12
_chemical_formula_sum "Te4 Pd2 Pb4 Cl4 O12"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12
_chemical_formula_sum "Te4 Pd2 Pb4 Cl4 O12"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveAroundAtomAction | f1cfdd0c-8f5a-46e7-89cd-f8991a22a895 | mp-29829 | Move all surrounding atoms within 2.858 angstrom around the center atom at index 6 by [ 0.6 -1.797 1.079] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Au4S4
_chemical_formula_sum "Li4 Au4 S4"
_cell_length_a 6.36289158
_cell_length_b 6.36289199
_cell_length_c 7.21163204
_cell_angle_alpha 116.47822777999998
_cell_angle_beta 116.47822393999999
_cell_angle_gamma 89.38917855000001
... | data_image0
_chemical_formula_structural Li4Au4S4
_chemical_formula_sum "Li4 Au4 S4"
_cell_length_a 6.36289158
_cell_length_b 6.36289199
_cell_length_c 7.21163204
_cell_angle_alpha 116.47822777999998
_cell_angle_beta 116.47822393999999
_cell_angle_gamma 89.38917855000001
... |
MoveAroundAtomAction | 65ae3126-2370-449c-b393-71e24357d9c4 | mp-1031226 | Move all surrounding atoms within 3.032 angstrom around the center atom at index 6 by [-0.397 -0.846 -1.205] angstrom in the cif file. | data_image0
_chemical_formula_structural RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_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 RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAroundAtomAction | d01697aa-3861-44ae-9068-ec0ea778f69c | mp-29226 | Move all surrounding atoms within 2.069 angstrom around the center atom at index 35 by [-0.475 -0.729 3.793] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca9Ga12O27
_chemical_formula_sum "Ca9 Ga12 O27"
_cell_length_a 11.05868684
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.92564392000001
_space_group_na... | data_image0
_chemical_formula_structural Ca9Ga12O27
_chemical_formula_sum "Ca9 Ga12 O27"
_cell_length_a 11.05868684
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.92564392000001
_space_group_na... |
MoveAroundAtomAction | d9b02ed2-b49f-41f2-b5ce-0fb40805e277 | mp-531661 | Move all surrounding atoms within 2.395 angstrom around the center atom at index 41 by [ 1.789 -3.056 0.477] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... |
MoveAroundAtomAction | 0ce45ada-a38c-42a0-a99d-0960a59c59ce | mp-27330 | Move all surrounding atoms within 3.513 angstrom around the center atom at index 0 by [ 3.677 0.693 -0.348] angstrom in the cif file. | data_image0
_chemical_formula_structural La3Os2O10
_chemical_formula_sum "La3 Os2 O10"
_cell_length_a 5.62184173
_cell_length_b 5.62184182
_cell_length_c 6.940714679999999
_cell_angle_alpha 107.87126291
_cell_angle_beta 107.8712631
_cell_angle_gamma 90.60547313999999
_spa... | data_image0
_chemical_formula_structural La3Os2O10
_chemical_formula_sum "La3 Os2 O10"
_cell_length_a 5.62184173
_cell_length_b 5.62184182
_cell_length_c 6.940714679999999
_cell_angle_alpha 107.87126291
_cell_angle_beta 107.8712631
_cell_angle_gamma 90.60547313999999
_spa... |
MoveAroundAtomAction | 3aeb9404-0e48-47ae-befe-a5650132b985 | mp-685992 | Move all surrounding atoms within 3.857 angstrom around the center atom at index 3 by [2.8 1.994 4.381] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Cr4Cl16
_chemical_formula_sum "Li8 Cr4 Cl16"
_cell_length_a 7.228764
_cell_length_b 7.42284197
_cell_length_c 12.83742393
_cell_angle_alpha 78.00485524
_cell_angle_beta 74.78317196
_cell_angle_gamma 62.50011299999999
_space_grou... | data_image0
_chemical_formula_structural Li8Cr4Cl16
_chemical_formula_sum "Li8 Cr4 Cl16"
_cell_length_a 7.228764
_cell_length_b 7.42284197
_cell_length_c 12.83742393
_cell_angle_alpha 78.00485524
_cell_angle_beta 74.78317196
_cell_angle_gamma 62.50011299999999
_space_grou... |
MoveAroundAtomAction | 1b116f95-6618-4e3d-ae2d-a9a7697668ad | mp-1198379 | Move all surrounding atoms within 3.501 angstrom around the center atom at index 48 by [-1.679 2.649 3.734] angstrom in the cif file. | data_image0
_chemical_formula_structural U8Cl8O40
_chemical_formula_sum "U8 Cl8 O40"
_cell_length_a 5.916021
_cell_length_b 11.02909539
_cell_length_c 19.22433123
_cell_angle_alpha 103.30643445999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U8Cl8O40
_chemical_formula_sum "U8 Cl8 O40"
_cell_length_a 5.916021
_cell_length_b 11.02909539
_cell_length_c 19.22433123
_cell_angle_alpha 103.30643445999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | 53fa3567-872f-40ba-86fc-900f40be7aff | mp-779456 | Move all surrounding atoms within 2.089 angstrom around the center atom at index 23 by [ 1.091 -2.551 -0.909] angstrom in the cif file. | data_image0
_chemical_formula_structural Y8Re4O20
_chemical_formula_sum "Y8 Re4 O20"
_cell_length_a 8.49838607
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_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 Y8Re4O20
_chemical_formula_sum "Y8 Re4 O20"
_cell_length_a 8.49838607
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_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 | 7baf1f2b-73be-4724-8f3d-9c588a35e1ed | mp-29057 | Move all surrounding atoms within 2.975 angstrom around the center atom at index 6 by [ 2.917 -0.197 0.336] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb3SBr7
_chemical_formula_sum "Nb3 S1 Br7"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb3SBr7
_chemical_formula_sum "Nb3 S1 Br7"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | af9be635-684a-4904-b670-7ba5e1ab96bf | mp-2503 | Move all surrounding atoms within 2.52 angstrom around the center atom at index 14 by [0.811 1.41 2.494] angstrom in the cif file. | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... |
MoveAroundAtomAction | de155049-44ad-4c71-b457-b01b6d24aca5 | mp-1343823 | Move all surrounding atoms within 2.236 angstrom around the center atom at index 10 by [-1.717 0.787 -1.781] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Ta2Sb2O12
_chemical_formula_sum "Ca4 Ta2 Sb2 O12"
_cell_length_a 8.036065
_cell_length_b 5.719254
_cell_length_c 5.9235469
_cell_angle_alpha 89.03685924
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca4Ta2Sb2O12
_chemical_formula_sum "Ca4 Ta2 Sb2 O12"
_cell_length_a 8.036065
_cell_length_b 5.719254
_cell_length_c 5.9235469
_cell_angle_alpha 89.03685924
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | f4c1d815-fdbf-4823-aa13-0eb6d8b63f30 | mp-1191448 | Move all surrounding atoms within 3.54 angstrom around the center atom at index 12 by [-1.203 1.053 1.329] angstrom in the cif file. | data_image0
_chemical_formula_structural Co2I4O16
_chemical_formula_sum "Co2 I4 O16"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_name_H-... | data_image0
_chemical_formula_structural Co2I4O16
_chemical_formula_sum "Co2 I4 O16"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_name_H-... |
MoveAroundAtomAction | 3cda7d15-73e6-44ad-823b-a0f4f18b0d06 | mp-1225420 | Move all surrounding atoms within 2.919 angstrom around the center atom at index 13 by [-0.11 4.291 -1.497] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe3W4N8
_chemical_formula_sum "Fe3 W4 N8"
_cell_length_a 10.79563324
_cell_length_b 10.79563324
_cell_length_c 4.999819900000001
_cell_angle_alpha 78.12233291
_cell_angle_beta 78.12233291
_cell_angle_gamma 15.285989940000006
_space... | data_image0
_chemical_formula_structural Fe3W4N8
_chemical_formula_sum "Fe3 W4 N8"
_cell_length_a 10.79563324
_cell_length_b 10.79563324
_cell_length_c 4.999819900000001
_cell_angle_alpha 78.12233291
_cell_angle_beta 78.12233291
_cell_angle_gamma 15.285989940000006
_space... |
MoveAroundAtomAction | 35079630-2340-44d0-a017-3985a31a874e | mp-1044670 | Move all surrounding atoms within 2.833 angstrom around the center atom at index 13 by [ 2.223 1.518 -0.677] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn2Ag4O8
_chemical_formula_sum "Zn2 Ag4 O8"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_space_g... | data_image0
_chemical_formula_structural Zn2Ag4O8
_chemical_formula_sum "Zn2 Ag4 O8"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_space_g... |
MoveAroundAtomAction | 2887a19b-9fa8-4037-b443-8788b3a0617b | mp-1110571 | Move all surrounding atoms within 3.973 angstrom around the center atom at index 1 by [0.512 0.164 0.012] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... |
MoveAroundAtomAction | 860a6138-e969-4843-be24-48d40627403d | mp-558102 | Move all surrounding atoms within 2.838 angstrom around the center atom at index 8 by [-0.322 -1.085 1.433] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | 21d0b5af-5b3a-49b4-a5bc-5f44fa6823c8 | mp-1219949 | Move all surrounding atoms within 3.498 angstrom around the center atom at index 14 by [ 3.692 1.677 -3.901] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr2AlFe16
_chemical_formula_sum "Pr2 Al1 Fe16"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75117239... | data_image0
_chemical_formula_structural Pr2AlFe16
_chemical_formula_sum "Pr2 Al1 Fe16"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75117239... |
MoveAroundAtomAction | 4e931827-b1f4-4c83-9a97-7c243e1456b3 | mp-1201394 | Move all surrounding atoms within 1.19 angstrom around the center atom at index 31 by [-0.154 0.838 -1.139] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Zn4H32N16
_chemical_formula_sum "K8 Zn4 H32 N16"
_cell_length_a 7.330377
_cell_length_b 7.71889881
_cell_length_c 13.45082991
_cell_angle_alpha 106.05557938
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K8Zn4H32N16
_chemical_formula_sum "K8 Zn4 H32 N16"
_cell_length_a 7.330377
_cell_length_b 7.71889881
_cell_length_c 13.45082991
_cell_angle_alpha 106.05557938
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | d23f0530-19e1-4ac7-90b4-1d30fcc582b9 | mp-18953 | Move all surrounding atoms within 3.766 angstrom around the center atom at index 10 by [-1.938 -0.992 -0.462] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2V2O4F4
_chemical_formula_sum "Na2 V2 O4 F4"
_cell_length_a 3.575516
_cell_length_b 6.56286279
_cell_length_c 7.32158901
_cell_angle_alpha 110.04631364
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na2V2O4F4
_chemical_formula_sum "Na2 V2 O4 F4"
_cell_length_a 3.575516
_cell_length_b 6.56286279
_cell_length_c 7.32158901
_cell_angle_alpha 110.04631364
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAroundAtomAction | 395c7b06-f5c7-4427-bcf9-af36a68f09b3 | mp-580525 | Move all surrounding atoms within 3.981 angstrom around the center atom at index 34 by [ 0.126 -0.306 1.004] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_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 Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_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 | 17da815f-61f3-43dd-b69f-21beac6b5f51 | mp-1105973 | Move all surrounding atoms within 2.955 angstrom around the center atom at index 7 by [-0.281 -5.384 -1.41 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc4Ag4Se8
_chemical_formula_sum "Sc4 Ag4 Se8"
_cell_length_a 3.99573998
_cell_length_b 6.78147425
_cell_length_c 13.21755954
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Sc4Ag4Se8
_chemical_formula_sum "Sc4 Ag4 Se8"
_cell_length_a 3.99573998
_cell_length_b 6.78147425
_cell_length_c 13.21755954
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAroundAtomAction | 73a88954-d1cb-4c09-8032-0f423bd55165 | mp-1228192 | Move all surrounding atoms within 3.766 angstrom around the center atom at index 13 by [-1.825 -0.668 -0.705] angstrom in the cif file. | data_image0
_chemical_formula_structural Al8Si4Mo6
_chemical_formula_sum "Al8 Si4 Mo6"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 13.45947417
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gamma 119.30885929
_space_gro... | data_image0
_chemical_formula_structural Al8Si4Mo6
_chemical_formula_sum "Al8 Si4 Mo6"
_cell_length_a 4.8039013
_cell_length_b 4.803901299999999
_cell_length_c 13.45947417
_cell_angle_alpha 84.87054598
_cell_angle_beta 84.87054598
_cell_angle_gamma 119.30885929
_space_gro... |
MoveAroundAtomAction | 8aed2401-458b-47cf-83e0-8d7be70998e4 | mp-774885 | Move all surrounding atoms within 1.985 angstrom around the center atom at index 31 by [ 0.151 -0.584 -2.137] angstrom in the cif file. | data_image0
_chemical_formula_structural V3CrCo2P6O24
_chemical_formula_sum "V3 Cr1 Co2 P6 O24"
_cell_length_a 8.50726384
_cell_length_b 8.50726384
_cell_length_c 8.50726429
_cell_angle_alpha 60.766009279999984
_cell_angle_beta 60.766009279999984
_cell_angle_gamma 60.76600... | data_image0
_chemical_formula_structural V3CrCo2P6O24
_chemical_formula_sum "V3 Cr1 Co2 P6 O24"
_cell_length_a 8.50726384
_cell_length_b 8.50726384
_cell_length_c 8.50726429
_cell_angle_alpha 60.766009279999984
_cell_angle_beta 60.766009279999984
_cell_angle_gamma 60.76600... |
MoveAroundAtomAction | 6f026e15-7518-4cb9-9380-cc1d9a5fb9df | mp-787524 | Move all surrounding atoms within 3.157 angstrom around the center atom at index 5 by [-0.697 1.384 1.833] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe2W6O24
_chemical_formula_sum "Li8 Fe2 W6 O24"
_cell_length_a 5.11933652
_cell_length_b 10.195318270000001
_cell_length_c 10.09545099
_cell_angle_alpha 60.32184485
_cell_angle_beta 90.65949022
_cell_angle_gamma 90.32099601
_spa... | data_image0
_chemical_formula_structural Li8Fe2W6O24
_chemical_formula_sum "Li8 Fe2 W6 O24"
_cell_length_a 5.11933652
_cell_length_b 10.195318270000001
_cell_length_c 10.09545099
_cell_angle_alpha 60.32184485
_cell_angle_beta 90.65949022
_cell_angle_gamma 90.32099601
_spa... |
MoveAroundAtomAction | e072e954-122b-418f-8d28-60c82d429895 | mp-2217353 | Move all surrounding atoms within 3.811 angstrom around the center atom at index 8 by [-1.523 -0.195 0.752] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2MgBi2O6
_chemical_formula_sum "Ba2 Mg1 Bi2 O6"
_cell_length_a 6.19601964
_cell_length_b 6.19601946
_cell_length_c 7.51072299
_cell_angle_alpha 64.56155273
_cell_angle_beta 64.56155424
_cell_angle_gamma 61.34173851
_space_group_n... | data_image0
_chemical_formula_structural Ba2MgBi2O6
_chemical_formula_sum "Ba2 Mg1 Bi2 O6"
_cell_length_a 6.19601964
_cell_length_b 6.19601946
_cell_length_c 7.51072299
_cell_angle_alpha 64.56155273
_cell_angle_beta 64.56155424
_cell_angle_gamma 61.34173851
_space_group_n... |
MoveAroundAtomAction | b95b1030-2022-4b1e-9b05-35b6caa0fc17 | mp-1234726 | Move all surrounding atoms within 3.193 angstrom around the center atom at index 1 by [0.591 0.948 1.369] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe8O8F8
_chemical_formula_sum "Mg1 Fe8 O8 F8"
_cell_length_a 5.37459148
_cell_length_b 5.317915359999999
_cell_length_c 11.582483039999998
_cell_angle_alpha 89.02297118
_cell_angle_beta 87.61815172
_cell_angle_gamma 93.09989270999... | data_image0
_chemical_formula_structural MgFe8O8F8
_chemical_formula_sum "Mg1 Fe8 O8 F8"
_cell_length_a 5.37459148
_cell_length_b 5.317915359999999
_cell_length_c 11.582483039999998
_cell_angle_alpha 89.02297118
_cell_angle_beta 87.61815172
_cell_angle_gamma 93.09989270999... |
MoveAroundAtomAction | 78fa9ba0-94df-40d7-8863-be6740aed248 | mp-18051 | Move all surrounding atoms within 2.127 angstrom around the center atom at index 22 by [-0.014 0.498 -0.432] angstrom in the cif file. | data_image0
_chemical_formula_structural La8Ti4O20
_chemical_formula_sum "La8 Ti4 O20"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_group_nam... | data_image0
_chemical_formula_structural La8Ti4O20
_chemical_formula_sum "La8 Ti4 O20"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_group_nam... |
MoveAroundAtomAction | e733b6f8-41da-44c6-986d-30098ca2cbb5 | mp-1020027 | Move all surrounding atoms within 2.906 angstrom around the center atom at index 1 by [ 0.82 1.674 -0.725] angstrom in the cif file. | data_image0
_chemical_formula_structural Li16P8O28
_chemical_formula_sum "Li16 P8 O28"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li16P8O28
_chemical_formula_sum "Li16 P8 O28"
_cell_length_a 5.300503
_cell_length_b 8.596584
_cell_length_c 13.95281911
_cell_angle_alpha 67.84074955
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAroundAtomAction | c77e5a8f-eaa5-45bd-a77e-7bb7f77a1839 | mp-1214552 | Move all surrounding atoms within 3.472 angstrom around the center atom at index 33 by [-0.051 -2.772 0.187] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Cu6Si40
_chemical_formula_sum "Ba8 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... | data_image0
_chemical_formula_structural Ba8Cu6Si40
_chemical_formula_sum "Ba8 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... |
MoveAroundAtomAction | cbde8d23-aef5-4794-b5f5-d99f1fa5c876 | mp-1191101 | Move all surrounding atoms within 2.503 angstrom around the center atom at index 4 by [0.391 1.848 1.023] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Mg4B4O12
_chemical_formula_sum "K4 Mg4 B4 O12"
_cell_length_a 6.908451
_cell_length_b 6.908451
_cell_length_c 6.908451
_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 K4Mg4B4O12
_chemical_formula_sum "K4 Mg4 B4 O12"
_cell_length_a 6.908451
_cell_length_b 6.908451
_cell_length_c 6.908451
_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 | 353a0d7e-5857-4391-aedb-f95d28397994 | mp-1210838 | Move all surrounding atoms within 2.477 angstrom around the center atom at index 11 by [-1.2 -0.365 0.512] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2P2H12N2O10
_chemical_formula_sum "Mg2 P2 H12 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_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 Mg2P2H12N2O10
_chemical_formula_sum "Mg2 P2 H12 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveAroundAtomAction | f74d3819-aeae-4dad-bcdb-a38a5bafd336 | mp-1079648 | Move all surrounding atoms within 3.506 angstrom around the center atom at index 5 by [ 0.602 -1.947 2.665] angstrom in the cif file. | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 | b587001e-6b9a-4e43-bc5b-45426579b2e6 | mp-1238837 | Move all surrounding atoms within 2.795 angstrom around the center atom at index 13 by [-1.069 2.653 0.565] angstrom in the cif file. | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... |
MoveAroundAtomAction | b518eb89-3492-4b4a-b633-83bc52366c71 | mp-1205925 | Move all surrounding atoms within 3.343 angstrom around the center atom at index 3 by [-0.82 -1.711 -4.424] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4In2Au4
_chemical_formula_sum "Sm4 In2 Au4"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_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 Sm4In2Au4
_chemical_formula_sum "Sm4 In2 Au4"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_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 | 1ff9a2a9-b396-42f6-91ff-549bf26b7402 | mp-1110571 | Move all surrounding atoms within 3.825 angstrom around the center atom at index 1 by [-1.456 1.317 -0.501] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... |
MoveAroundAtomAction | 382fc3f2-bfee-4470-82e2-f29ea0b4383a | mp-1202750 | Move all surrounding atoms within 2.373 angstrom around the center atom at index 8 by [-0.513 -0.753 -0.496] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... |
MoveAroundAtomAction | 8b30afd6-ed99-4b3f-98b4-a1c5db474a41 | mp-1101922 | Move all surrounding atoms within 3.379 angstrom around the center atom at index 7 by [ 1.204 -0.431 2.103] angstrom in the cif file. | data_image0
_chemical_formula_structural Eu4Fe8
_chemical_formula_sum "Eu4 Fe8"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Eu4Fe8
_chemical_formula_sum "Eu4 Fe8"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1"
_space_... |
MoveAroundAtomAction | d7f7115d-2c9a-458b-8ef1-81a171b4ec66 | mp-1246013 | Move all surrounding atoms within 3.02 angstrom around the center atom at index 1 by [ 1.099 -2.413 0.482] angstrom in the cif file. | data_image0
_chemical_formula_structural V2C3N6
_chemical_formula_sum "V2 C3 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V2C3N6
_chemical_formula_sum "V2 C3 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | f4f9159e-d14c-40ba-8df5-a391f4810549 | mp-1180291 | Move all surrounding atoms within 2.469 angstrom around the center atom at index 19 by [ 0.945 -1.069 -0.053] angstrom in the cif file. | data_image0
_chemical_formula_structural MnFe2P2O18
_chemical_formula_sum "Mn1 Fe2 P2 O18"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_group_n... | data_image0
_chemical_formula_structural MnFe2P2O18
_chemical_formula_sum "Mn1 Fe2 P2 O18"
_cell_length_a 5.325432
_cell_length_b 7.22015907
_cell_length_c 10.10152247
_cell_angle_alpha 96.54352773
_cell_angle_beta 99.75977914
_cell_angle_gamma 110.21982185
_space_group_n... |
MoveAroundAtomAction | b885c050-b874-4c6e-bbbc-17e616c14e4b | mp-3792 | Move all surrounding atoms within 3.456 angstrom around the center atom at index 16 by [ 3.168 -3.342 0.724] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Al4O12
_chemical_formula_sum "Y4 Al4 O12"
_cell_length_a 5.17603105
_cell_length_b 5.31735851
_cell_length_c 7.37249317
_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 Y4Al4O12
_chemical_formula_sum "Y4 Al4 O12"
_cell_length_a 5.17603105
_cell_length_b 5.31735851
_cell_length_c 7.37249317
_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 | d16b62cf-2fd6-4171-bd07-e97b04a40196 | mp-607917 | Move all surrounding atoms within 3.633 angstrom around the center atom at index 40 by [-1.63 -1.342 -0.06 ] angstrom in the cif file. | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveAroundAtomAction | 43437061-b320-48ed-865e-7850da7a0d80 | mp-2228789 | Move all surrounding atoms within 2.439 angstrom around the center atom at index 17 by [ 1.617 -0.49 1.276] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 6.93682881
_cell_length_b 15.10297566
_cell_length_c 3.10243694
_cell_angle_alpha 90.08972542
_cell_angle_beta 90.08295703
_cell_angle_gamma 135.01619084
_space_group_n... | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 6.93682881
_cell_length_b 15.10297566
_cell_length_c 3.10243694
_cell_angle_alpha 90.08972542
_cell_angle_beta 90.08295703
_cell_angle_gamma 135.01619084
_space_group_n... |
MoveAroundAtomAction | 8836e94e-7a31-497b-852c-77731f4d1fc4 | mp-2232136 | Move all surrounding atoms within 3.616 angstrom around the center atom at index 9 by [-0.03 -3.035 1.39 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K2RbTbMgV2O8
_chemical_formula_sum "K2 Rb1 Tb1 Mg1 V2 O8"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 8.38343734
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_gamma 119.88352324999998
_space_gr... | data_image0
_chemical_formula_structural K2RbTbMgV2O8
_chemical_formula_sum "K2 Rb1 Tb1 Mg1 V2 O8"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 8.38343734
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_gamma 119.88352324999998
_space_gr... |
MoveAroundAtomAction | ea791f44-944b-47fe-b6ae-61c662674829 | mp-804134 | Move all surrounding atoms within 1.874 angstrom around the center atom at index 14 by [-1.788 -2.554 -0.144] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Ni3Sb2O10
_chemical_formula_sum "Li5 Ni3 Sb2 O10"
_cell_length_a 5.23986
_cell_length_b 5.36264358
_cell_length_c 7.922721919999999
_cell_angle_alpha 106.90686584
_cell_angle_beta 102.75707066000001
_cell_angle_gamma 101.80098846... | data_image0
_chemical_formula_structural Li5Ni3Sb2O10
_chemical_formula_sum "Li5 Ni3 Sb2 O10"
_cell_length_a 5.23986
_cell_length_b 5.36264358
_cell_length_c 7.922721919999999
_cell_angle_alpha 106.90686584
_cell_angle_beta 102.75707066000001
_cell_angle_gamma 101.80098846... |
MoveAroundAtomAction | ec92dbe8-6510-44fc-8a5f-af7e8c2ade0e | mp-1233214 | Move all surrounding atoms within 3.891 angstrom around the center atom at index 18 by [-2.994 3.707 -0.369] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Y2MgFe4O10
_chemical_formula_sum "Ba2 Y2 Mg1 Fe4 O10"
_cell_length_a 3.868654
_cell_length_b 8.214905
_cell_length_c 8.698939
_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 Ba2Y2MgFe4O10
_chemical_formula_sum "Ba2 Y2 Mg1 Fe4 O10"
_cell_length_a 3.868654
_cell_length_b 8.214905
_cell_length_c 8.698939
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveAroundAtomAction | 600e32e3-4da0-4c32-92a8-7579b33c0219 | mp-850933 | Move all surrounding atoms within 2.93 angstrom around the center atom at index 9 by [-1.794 0.801 -1.658] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.3298373
_cell_length_b 7.3298373
_cell_length_c 6.441564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.54122322
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.3298373
_cell_length_b 7.3298373
_cell_length_c 6.441564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.54122322
_space_group_name_H-M_alt "P 1"
_s... |
MoveAroundAtomAction | c7a27db6-e8ad-482e-83b4-6bee1ac52725 | mp-776026 | Move all surrounding atoms within 3.946 angstrom around the center atom at index 22 by [ 1.494 -1.308 -0.185] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe8F24
_chemical_formula_sum "Li8 Fe8 F24"
_cell_length_a 8.811519
_cell_length_b 8.811519
_cell_length_c 6.203392
_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 Li8Fe8F24
_chemical_formula_sum "Li8 Fe8 F24"
_cell_length_a 8.811519
_cell_length_b 8.811519
_cell_length_c 6.203392
_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 | 42eecf9b-78e4-4132-874d-594ea30fb8da | mp-1208177 | Move all surrounding atoms within 2.739 angstrom around the center atom at index 1 by [0.719 0.835 0.796] angstrom in the cif file. | data_image0
_chemical_formula_structural U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... | data_image0
_chemical_formula_structural U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... |
MoveAroundAtomAction | 342c7f03-d12b-4371-9da0-0427c7a08a08 | mp-1219042 | Move all surrounding atoms within 2.525 angstrom around the center atom at index 10 by [ 1.417 -0.784 -0.075] angstrom in the cif file. | data_image0
_chemical_formula_structural SmMn5Co7
_chemical_formula_sum "Sm1 Mn5 Co7"
_cell_length_a 6.34837552
_cell_length_b 6.34837552
_cell_length_c 6.34837552
_cell_angle_alpha 137.60390248999997
_cell_angle_beta 97.53482762
_cell_angle_gamma 97.49096846
_space_group... | data_image0
_chemical_formula_structural SmMn5Co7
_chemical_formula_sum "Sm1 Mn5 Co7"
_cell_length_a 6.34837552
_cell_length_b 6.34837552
_cell_length_c 6.34837552
_cell_angle_alpha 137.60390248999997
_cell_angle_beta 97.53482762
_cell_angle_gamma 97.49096846
_space_group... |
MoveAroundAtomAction | 1e6b8200-079b-444b-af65-435722da6f57 | mp-1026556 | Move all surrounding atoms within 3.868 angstrom around the center atom at index 10 by [ 0.86 -0.264 3.155] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14CrC
_chemical_formula_sum "Mg14 Cr1 C1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14CrC
_chemical_formula_sum "Mg14 Cr1 C1"
_cell_length_a 6.30597991
_cell_length_b 6.44472008
_cell_length_c 9.68284988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.73051301000001
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | b1425d7d-0d9d-4cec-a502-e7b8a9590f1b | mp-3380 | Move all surrounding atoms within 2.524 angstrom around the center atom at index 4 by [-0.455 1.494 0.086] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 | c91b0f06-6135-4bfd-938e-c7b05c8f057a | mp-570405 | Move all surrounding atoms within 3.959 angstrom around the center atom at index 53 by [-2.047 -2.192 2.539] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Hg24P16Cl28
_chemical_formula_sum "Ti4 Hg24 P16 Cl28"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_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 Ti4Hg24P16Cl28
_chemical_formula_sum "Ti4 Hg24 P16 Cl28"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveAroundAtomAction | c383e74c-09b8-4ad3-afe5-4c15bd0a3796 | mp-19489 | Move all surrounding atoms within 2.564 angstrom around the center atom at index 65 by [-1.13 -1.125 -0.465] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAroundAtomAction | bfe350e6-5e46-48e4-84d3-2094e7912796 | mp-1197276 | Move all surrounding atoms within 2.843 angstrom around the center atom at index 46 by [-0.027 -0.705 2.141] angstrom in the cif file. | data_image0
_chemical_formula_structural La14I6O36
_chemical_formula_sum "La14 I6 O36"
_cell_length_a 16.40249444
_cell_length_b 16.40249444
_cell_length_c 4.250983
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural La14I6O36
_chemical_formula_sum "La14 I6 O36"
_cell_length_a 16.40249444
_cell_length_b 16.40249444
_cell_length_c 4.250983
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177999999
_space_group_name_H-M_alt... |
MoveAroundAtomAction | 79db6a36-ea49-4b3f-8523-ce5b9db8c960 | mp-1205145 | Move all surrounding atoms within 2.18 angstrom around the center atom at index 15 by [ 1.584 -0.835 -0.885] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAroundAtomAction | 22f1fff2-41bf-4548-8b89-75d0240e32d4 | mp-1177530 | Move all surrounding atoms within 2.047 angstrom around the center atom at index 7 by [ 0.281 -0.714 3.837] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437000001... | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437000001... |
MoveAroundAtomAction | dbb1e034-249b-4ec8-9bbf-27c2675f5dfa | mp-19484 | Move all surrounding atoms within 3.798 angstrom around the center atom at index 23 by [-2.76 3.554 -1.139] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_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 Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_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 | 6afa5ed8-ffc1-4df7-b2b6-95465b847a98 | mp-1237178 | Move all surrounding atoms within 2.773 angstrom around the center atom at index 2 by [1.281 3.4 0.265] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf3NiF6
_chemical_formula_sum "Hf3 Ni1 F6"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
_space... | data_image0
_chemical_formula_structural Hf3NiF6
_chemical_formula_sum "Hf3 Ni1 F6"
_cell_length_a 6.82183954
_cell_length_b 4.95137311
_cell_length_c 12.058364869999998
_cell_angle_alpha 90.70131472
_cell_angle_beta 86.46719308
_cell_angle_gamma 133.25539137999996
_space... |
MoveAroundAtomAction | bb1fe153-4f72-438f-b7fc-0308287d8e86 | mp-11609 | Move all surrounding atoms within 3.097 angstrom around the center atom at index 8 by [-1.749 3.365 0.835] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAroundAtomAction | a1d34938-6d1d-4265-950f-fd6346f4ea83 | mp-752908 | Move all surrounding atoms within 2.813 angstrom around the center atom at index 4 by [ 1.572 -2.525 2.219] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Ni5O10
_chemical_formula_sum "Li6 Ni5 O10"
_cell_length_a 5.173842
_cell_length_b 5.63596531
_cell_length_c 7.7451140800000005
_cell_angle_alpha 70.79099217
_cell_angle_beta 70.80090629
_cell_angle_gamma 66.90567389
_space_group... | data_image0
_chemical_formula_structural Li6Ni5O10
_chemical_formula_sum "Li6 Ni5 O10"
_cell_length_a 5.173842
_cell_length_b 5.63596531
_cell_length_c 7.7451140800000005
_cell_angle_alpha 70.79099217
_cell_angle_beta 70.80090629
_cell_angle_gamma 66.90567389
_space_group... |
MoveAroundAtomAction | 45f00c7a-6d6e-4f84-a72f-a291c311302d | mp-1224446 | Move all surrounding atoms within 3.955 angstrom around the center atom at index 1 by [ 1.215 -0.332 -3.129] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... |
MoveAroundAtomAction | ece61a03-6050-4680-a8fb-a44110052177 | mp-1234927 | Move all surrounding atoms within 2.648 angstrom around the center atom at index 20 by [ 1.108 0.196 -2.054] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe8O14F2
_chemical_formula_sum "Mg1 Fe8 O14 F2"
_cell_length_a 5.17318023
_cell_length_b 5.174828819999999
_cell_length_c 11.60459846
_cell_angle_alpha 90.64518616999999
_cell_angle_beta 89.40149404
_cell_angle_gamma 102.09013924
... | data_image0
_chemical_formula_structural MgFe8O14F2
_chemical_formula_sum "Mg1 Fe8 O14 F2"
_cell_length_a 5.17318023
_cell_length_b 5.174828819999999
_cell_length_c 11.60459846
_cell_angle_alpha 90.64518616999999
_cell_angle_beta 89.40149404
_cell_angle_gamma 102.09013924
... |
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