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 |
|---|---|---|---|---|---|
MoveTowardsAtomAction | f46f7221-532a-4736-9fde-0c87d5cc0faf | mp-771918 | Move the atom at index 66 towards the atom at index 56 by 0.885 angstrom in the cif file. | data_image0
_chemical_formula_structural Li16Mn8P8O32F8
_chemical_formula_sum "Li16 Mn8 P8 O32 F8"
_cell_length_a 5.140871
_cell_length_b 13.176346
_cell_length_c 13.18498818
_cell_angle_alpha 60.45596281000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Li16Mn8P8O32F8
_chemical_formula_sum "Li16 Mn8 P8 O32 F8"
_cell_length_a 5.140871
_cell_length_b 13.176346
_cell_length_c 13.18498818
_cell_angle_alpha 60.45596281000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
MoveTowardsAtomAction | 82848d5d-af14-4a4c-8594-6c82742ad3d3 | mp-570684 | Move the atom at index 6 towards the atom at index 3 by 1.474 angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Os8
_chemical_formula_sum "Zr4 Os8"
_cell_length_a 5.2087459
_cell_length_b 5.20874741
_cell_length_c 8.58838303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000971999998
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zr4Os8
_chemical_formula_sum "Zr4 Os8"
_cell_length_a 5.2087459
_cell_length_b 5.20874741
_cell_length_c 8.58838303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000971999998
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | 5a10f9cb-ada3-467b-b526-e31d0c926d40 | mp-1198663 | Move the atom at index 28 towards the atom at index 45 by 2.995 angstrom in the cif file. | data_image0
_chemical_formula_structural K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_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 K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | 8d177c25-7424-4904-b344-25419d09af29 | mp-758066 | Move the atom at index 41 towards the atom at index 33 by 2.284 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V6P8O28
_chemical_formula_sum "Li4 V6 P8 O28"
_cell_length_a 5.338507
_cell_length_b 6.625273469999999
_cell_length_c 16.03223444
_cell_angle_alpha 81.67600264000001
_cell_angle_beta 83.46847737
_cell_angle_gamma 72.26610188
_sp... | data_image0
_chemical_formula_structural Li4V6P8O28
_chemical_formula_sum "Li4 V6 P8 O28"
_cell_length_a 5.338507
_cell_length_b 6.625273469999999
_cell_length_c 16.03223444
_cell_angle_alpha 81.67600264000001
_cell_angle_beta 83.46847737
_cell_angle_gamma 72.26610188
_sp... |
MoveTowardsAtomAction | d40cfc15-fe20-410d-a252-d8bf584d4cb6 | mp-753702 | Move the atom at index 1 towards the atom at index 16 by 0.317 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V4Si4O16
_chemical_formula_sum "Li4 V4 Si4 O16"
_cell_length_a 4.97352403
_cell_length_b 9.243516709999998
_cell_length_c 6.241561
_cell_angle_alpha 89.99882645000001
_cell_angle_beta 90.00073469
_cell_angle_gamma 97.01219666
_s... | data_image0
_chemical_formula_structural Li4V4Si4O16
_chemical_formula_sum "Li4 V4 Si4 O16"
_cell_length_a 4.97352403
_cell_length_b 9.243516709999998
_cell_length_c 6.241561
_cell_angle_alpha 89.99882645000001
_cell_angle_beta 90.00073469
_cell_angle_gamma 97.01219666
_s... |
MoveTowardsAtomAction | d34c0fa1-e86f-42c7-abb9-13bbeffd3017 | mp-696283 | Move the atom at index 6 towards the atom at index 11 by 0.311 angstrom in the cif file. | data_image0
_chemical_formula_structural H8S8N12O2
_chemical_formula_sum "H8 S8 N12 O2"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_group_name... | data_image0
_chemical_formula_structural H8S8N12O2
_chemical_formula_sum "H8 S8 N12 O2"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_group_name... |
MoveTowardsAtomAction | cdb1c43a-f8e6-4d4e-8d68-a2ef49c979e8 | mp-1096809 | Move the atom at index 1 towards the atom at index 5 by 0.224 angstrom in the cif file. | data_image0
_chemical_formula_structural Al8Zn4S16
_chemical_formula_sum "Al8 Zn4 S16"
_cell_length_a 5.910544
_cell_length_b 7.22181
_cell_length_c 12.474986
_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 Al8Zn4S16
_chemical_formula_sum "Al8 Zn4 S16"
_cell_length_a 5.910544
_cell_length_b 7.22181
_cell_length_c 12.474986
_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... |
MoveTowardsAtomAction | f024a91a-44dd-49c8-b92e-7eae9ffac3bd | mp-754713 | Move the atom at index 3 towards the atom at index 5 by 2.969 angstrom in the cif file. | data_image0
_chemical_formula_structural Al8Cr4O20
_chemical_formula_sum "Al8 Cr4 O20"
_cell_length_a 5.05828776
_cell_length_b 7.185476969999999
_cell_length_c 10.24938235
_cell_angle_alpha 74.62419369000001
_cell_angle_beta 82.79878355
_cell_angle_gamma 110.2480265400000... | data_image0
_chemical_formula_structural Al8Cr4O20
_chemical_formula_sum "Al8 Cr4 O20"
_cell_length_a 5.05828776
_cell_length_b 7.185476969999999
_cell_length_c 10.24938235
_cell_angle_alpha 74.62419369000001
_cell_angle_beta 82.79878355
_cell_angle_gamma 110.2480265400000... |
MoveTowardsAtomAction | 29a2390e-89c4-48e4-9d97-2efb94dfe9cf | mp-2240560 | Move the atom at index 5 towards the atom at index 8 by 0.553 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... |
MoveTowardsAtomAction | 28937c01-c5e1-4432-9867-ff9161b7d33d | mp-1320208 | Move the atom at index 15 towards the atom at index 17 by 2.535 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Y2Cr6O14
_chemical_formula_sum "Ba4 Y2 Cr6 O14"
_cell_length_a 5.62234459
_cell_length_b 12.448562939999999
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta 91.54529385000001
_cell_angle_gamma 102.69469371... | data_image0
_chemical_formula_structural Ba4Y2Cr6O14
_chemical_formula_sum "Ba4 Y2 Cr6 O14"
_cell_length_a 5.62234459
_cell_length_b 12.448562939999999
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta 91.54529385000001
_cell_angle_gamma 102.69469371... |
MoveTowardsAtomAction | 1dd2e8c6-7119-49e5-a3dc-32f77570a3fb | mp-556409 | Move the atom at index 7 towards the atom at index 12 by 2.592 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20
_chemical_formula_sum "Ba7 Ca2 Mn5 O20"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.1467... | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20
_chemical_formula_sum "Ba7 Ca2 Mn5 O20"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.1467... |
MoveTowardsAtomAction | 70112bb6-5809-4c3d-87ff-a47838343960 | mp-768771 | Move the atom at index 10 towards the atom at index 42 by 2.284 angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Bi4B8O24
_chemical_formula_sum "Li12 Bi4 B8 O24"
_cell_length_a 9.188294
_cell_length_b 5.32128
_cell_length_c 12.005007730000003
_cell_angle_alpha 65.01187173
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li12Bi4B8O24
_chemical_formula_sum "Li12 Bi4 B8 O24"
_cell_length_a 9.188294
_cell_length_b 5.32128
_cell_length_c 12.005007730000003
_cell_angle_alpha 65.01187173
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveTowardsAtomAction | 24ad3804-7b7a-43df-92b3-d7a158f82c28 | mp-1377792 | Move the atom at index 15 towards the atom at index 13 by 1.855 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4V2Ir2O12
_chemical_formula_sum "Mg4 V2 Ir2 O12"
_cell_length_a 5.275469
_cell_length_b 5.115261
_cell_length_c 9.03851202
_cell_angle_alpha 55.72667628
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg4V2Ir2O12
_chemical_formula_sum "Mg4 V2 Ir2 O12"
_cell_length_a 5.275469
_cell_length_b 5.115261
_cell_length_c 9.03851202
_cell_angle_alpha 55.72667628
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 796d3b8e-38a7-43a7-8f44-667f3328f42d | mp-764815 | Move the atom at index 16 towards the atom at index 22 by 1.422 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Fe8B8O24
_chemical_formula_sum "Li3 Fe8 B8 O24"
_cell_length_a 5.255842
_cell_length_b 5.27095882
_cell_length_c 20.07931436
_cell_angle_alpha 90.31009899
_cell_angle_beta 90.40631797
_cell_angle_gamma 119.25181349
_space_group_... | data_image0
_chemical_formula_structural Li3Fe8B8O24
_chemical_formula_sum "Li3 Fe8 B8 O24"
_cell_length_a 5.255842
_cell_length_b 5.27095882
_cell_length_c 20.07931436
_cell_angle_alpha 90.31009899
_cell_angle_beta 90.40631797
_cell_angle_gamma 119.25181349
_space_group_... |
MoveTowardsAtomAction | f1721f89-9456-4b43-a154-649d850d31d9 | mp-3887 | Move the atom at index 43 towards the atom at index 26 by 2.298 angstrom in the cif file. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... |
MoveTowardsAtomAction | 4037e84b-93c7-48d5-a812-05546e25cd42 | mp-1210568 | Move the atom at index 6 towards the atom at index 8 by 2.273 angstrom in the cif file. | data_image0
_chemical_formula_structural Lu12Co4Sn2
_chemical_formula_sum "Lu12 Co4 Sn2"
_cell_length_a 8.12214077
_cell_length_b 8.12212615
_cell_length_c 8.12215372
_cell_angle_alpha 111.34907923
_cell_angle_beta 109.57515188
_cell_angle_gamma 107.51213659
_space_group_... | data_image0
_chemical_formula_structural Lu12Co4Sn2
_chemical_formula_sum "Lu12 Co4 Sn2"
_cell_length_a 8.12214077
_cell_length_b 8.12212615
_cell_length_c 8.12215372
_cell_angle_alpha 111.34907923
_cell_angle_beta 109.57515188
_cell_angle_gamma 107.51213659
_space_group_... |
MoveTowardsAtomAction | 33895bf5-ff37-41a8-85bf-2a61f95ee8e3 | mp-1356795 | Move the atom at index 5 towards the atom at index 14 by 2.109 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn6Bi4P4O24
_chemical_formula_sum "Zn6 Bi4 P4 O24"
_cell_length_a 5.253354
_cell_length_b 7.938561
_cell_length_c 12.044391
_cell_angle_alpha 88.87129292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zn6Bi4P4O24
_chemical_formula_sum "Zn6 Bi4 P4 O24"
_cell_length_a 5.253354
_cell_length_b 7.938561
_cell_length_c 12.044391
_cell_angle_alpha 88.87129292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | a3c85248-339d-4d95-b546-fcb02299cb09 | mp-1027815 | Move the atom at index 4 towards the atom at index 7 by 0.603 angstrom in the cif file. | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 25d2be39-a1f2-4ca6-bf96-a145fb1cd49a | mp-18292 | Move the atom at index 17 towards the atom at index 21 by 2.707 angstrom in the cif file. | data_image0
_chemical_formula_structural La8Mn2S12O2
_chemical_formula_sum "La8 Mn2 S12 O2"
_cell_length_a 9.5080546
_cell_length_b 9.5080546
_cell_length_c 6.865941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000419000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural La8Mn2S12O2
_chemical_formula_sum "La8 Mn2 S12 O2"
_cell_length_a 9.5080546
_cell_length_b 9.5080546
_cell_length_c 6.865941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000419000001
_space_group_name_H-M_al... |
MoveTowardsAtomAction | fd68412c-a9c5-4799-b6da-ba1ef9b15796 | mp-1210133 | Move the atom at index 40 towards the atom at index 31 by 0.711 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... |
MoveTowardsAtomAction | 0e120987-e98c-427e-961d-1d6a9a0fbd4a | mp-1233053 | Move the atom at index 6 towards the atom at index 2 by 0.509 angstrom in the cif file. | data_image0
_chemical_formula_structural MgV8O8F8
_chemical_formula_sum "Mg1 V8 O8 F8"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_grou... | data_image0
_chemical_formula_structural MgV8O8F8
_chemical_formula_sum "Mg1 V8 O8 F8"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_grou... |
MoveTowardsAtomAction | c5da2614-698f-46f4-8462-151321b8bdf3 | mp-27888 | Move the atom at index 1 towards the atom at index 3 by 0.19 angstrom in the cif file. | data_image0
_chemical_formula_structural Zr3GeO8
_chemical_formula_sum "Zr3 Ge1 O8"
_cell_length_a 5.01459289
_cell_length_b 5.01458845
_cell_length_c 6.33418319
_cell_angle_alpha 113.31969382
_cell_angle_beta 113.32013782
_cell_angle_gamma 90.00120143000001
_space_group_... | data_image0
_chemical_formula_structural Zr3GeO8
_chemical_formula_sum "Zr3 Ge1 O8"
_cell_length_a 5.01459289
_cell_length_b 5.01458845
_cell_length_c 6.33418319
_cell_angle_alpha 113.31969382
_cell_angle_beta 113.32013782
_cell_angle_gamma 90.00120143000001
_space_group_... |
MoveTowardsAtomAction | 31433adf-c450-4961-b24c-60b8c55bc823 | mp-1176929 | Move the atom at index 2 towards the atom at index 51 by 1.585 angstrom in the cif file. | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227000000... | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227000000... |
MoveTowardsAtomAction | 0dd1ab6e-4a59-4738-a1d2-3b606b51c9a6 | mp-639682 | Move the atom at index 4 towards the atom at index 2 by 1.598 angstrom in the cif file. | data_image0
_chemical_formula_structural Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 7.19367919
_cell_length_b 7.19367919
_cell_length_c 12.12717244
_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 Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 7.19367919
_cell_length_b 7.19367919
_cell_length_c 12.12717244
_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... |
MoveTowardsAtomAction | db2e8039-9e06-4707-af0f-f346748eccc0 | mp-757139 | Move the atom at index 13 towards the atom at index 12 by 1.669 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6TiMn3P6O24
_chemical_formula_sum "Li6 Ti1 Mn3 P6 O24"
_cell_length_a 8.620037
_cell_length_b 8.65660093
_cell_length_c 8.76631981
_cell_angle_alpha 61.44259836
_cell_angle_beta 61.38097025
_cell_angle_gamma 61.406440620000005
_s... | data_image0
_chemical_formula_structural Li6TiMn3P6O24
_chemical_formula_sum "Li6 Ti1 Mn3 P6 O24"
_cell_length_a 8.620037
_cell_length_b 8.65660093
_cell_length_c 8.76631981
_cell_angle_alpha 61.44259836
_cell_angle_beta 61.38097025
_cell_angle_gamma 61.406440620000005
_s... |
MoveTowardsAtomAction | e923d7f3-099e-4158-92bd-893b9f16e349 | mp-1099221 | Move the atom at index 12 towards the atom at index 8 by 1.651 angstrom in the cif file. | data_image0
_chemical_formula_structural CsMg6BO7
_chemical_formula_sum "Cs1 Mg6 B1 O7"
_cell_length_a 4.876208
_cell_length_b 4.876208
_cell_length_c 7.931088
_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 CsMg6BO7
_chemical_formula_sum "Cs1 Mg6 B1 O7"
_cell_length_a 4.876208
_cell_length_b 4.876208
_cell_length_c 7.931088
_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... |
MoveTowardsAtomAction | f3b79d36-264e-4587-aedd-4f3454ba2eb1 | mp-1043461 | Move the atom at index 10 towards the atom at index 15 by 2.628 angstrom in the cif file. | data_image0
_chemical_formula_structural Ni4Sb4P8O36
_chemical_formula_sum "Ni4 Sb4 P8 O36"
_cell_length_a 6.398521
_cell_length_b 7.881027
_cell_length_c 14.069832
_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 Ni4Sb4P8O36
_chemical_formula_sum "Ni4 Sb4 P8 O36"
_cell_length_a 6.398521
_cell_length_b 7.881027
_cell_length_c 14.069832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | e1009cd2-bf41-489c-869f-156745f19173 | mp-2231769 | Move the atom at index 7 towards the atom at index 5 by 0.309 angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn2Se4O12
_chemical_formula_sum "Mg1 Mn2 Se4 O12"
_cell_length_a 5.44462449
_cell_length_b 6.89465889
_cell_length_c 7.89161823
_cell_angle_alpha 88.69789064999999
_cell_angle_beta 93.2494109
_cell_angle_gamma 83.75586802
_space_... | data_image0
_chemical_formula_structural MgMn2Se4O12
_chemical_formula_sum "Mg1 Mn2 Se4 O12"
_cell_length_a 5.44462449
_cell_length_b 6.89465889
_cell_length_c 7.89161823
_cell_angle_alpha 88.69789064999999
_cell_angle_beta 93.2494109
_cell_angle_gamma 83.75586802
_space_... |
MoveTowardsAtomAction | f985ae10-7ec4-49f6-a077-611173cb1834 | mp-1213688 | Move the atom at index 7 towards the atom at index 6 by 0.651 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Ca4I12
_chemical_formula_sum "Cs4 Ca4 I12"
_cell_length_a 8.57588159
_cell_length_b 8.78260577
_cell_length_c 12.28814489
_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 Cs4Ca4I12
_chemical_formula_sum "Cs4 Ca4 I12"
_cell_length_a 8.57588159
_cell_length_b 8.78260577
_cell_length_c 12.28814489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveTowardsAtomAction | 48353863-e3c2-4047-9699-e4bd2ed55d14 | mp-1227253 | Move the atom at index 34 towards the atom at index 28 by 0.113 angstrom in the cif file. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... |
MoveTowardsAtomAction | 3b4fa53c-5309-429d-a53c-a0f73502bf6a | mp-561179 | Move the atom at index 21 towards the atom at index 9 by 0.68 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Cu4I4O8
_chemical_formula_sum "Ba8 Cu4 I4 O8"
_cell_length_a 4.44409499
_cell_length_b 11.08544927
_cell_length_c 14.130622020000002
_cell_angle_alpha 88.26392371999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Ba8Cu4I4O8
_chemical_formula_sum "Ba8 Cu4 I4 O8"
_cell_length_a 4.44409499
_cell_length_b 11.08544927
_cell_length_c 14.130622020000002
_cell_angle_alpha 88.26392371999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
MoveTowardsAtomAction | 34042123-2f31-4e39-ae43-dbcd82f7e5f7 | mp-559041 | Move the atom at index 4 towards the atom at index 18 by 0.698 angstrom in the cif file. | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4
_chemical_formula_sum "Tl2 Mo4 Cl14 O4"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space_grou... | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4
_chemical_formula_sum "Tl2 Mo4 Cl14 O4"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space_grou... |
MoveTowardsAtomAction | b5d32cc2-08c9-4d5a-a1ce-308a5a11e785 | mp-761710 | Move the atom at index 13 towards the atom at index 6 by 1.532 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2Co2O8
_chemical_formula_sum "Li2 Fe2 Co2 O8"
_cell_length_a 5.84785554
_cell_length_b 5.847855770000001
_cell_length_c 5.84785554
_cell_angle_alpha 89.97011905
_cell_angle_beta 119.157337
_cell_angle_gamma 59.184920010000006
... | data_image0
_chemical_formula_structural Li2Fe2Co2O8
_chemical_formula_sum "Li2 Fe2 Co2 O8"
_cell_length_a 5.84785554
_cell_length_b 5.847855770000001
_cell_length_c 5.84785554
_cell_angle_alpha 89.97011905
_cell_angle_beta 119.157337
_cell_angle_gamma 59.184920010000006
... |
MoveTowardsAtomAction | 340a879e-c1d1-495c-9843-53f472321580 | mp-22385 | Move the atom at index 4 towards the atom at index 3 by 1.397 angstrom in the cif file. | data_image0
_chemical_formula_structural NpAl8Fe4
_chemical_formula_sum "Np1 Al8 Fe4"
_cell_length_a 6.67251209
_cell_length_b 6.67251209
_cell_length_c 6.67251209
_cell_angle_alpha 98.01214626999999
_cell_angle_beta 98.01214626999999
_cell_angle_gamma 136.15645146
_space... | data_image0
_chemical_formula_structural NpAl8Fe4
_chemical_formula_sum "Np1 Al8 Fe4"
_cell_length_a 6.67251209
_cell_length_b 6.67251209
_cell_length_c 6.67251209
_cell_angle_alpha 98.01214626999999
_cell_angle_beta 98.01214626999999
_cell_angle_gamma 136.15645146
_space... |
MoveTowardsAtomAction | d10c9e54-a8e4-410c-9740-b10d5d647958 | mp-2713621 | Move the atom at index 6 towards the atom at index 36 by 0.495 angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... |
MoveTowardsAtomAction | 977ef747-203b-4995-baf4-8e9f7b708ac7 | mp-759955 | Move the atom at index 29 towards the atom at index 2 by 0.247 angstrom in the cif file. | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.937069
_cell_length_b 6.03219996
_cell_length_c 15.07458003
_cell_angle_alpha 80.25103232000001
_cell_angle_beta 85.17375532
_cell_angle_gamma 60.75174218
_space_g... | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.937069
_cell_length_b 6.03219996
_cell_length_c 15.07458003
_cell_angle_alpha 80.25103232000001
_cell_angle_beta 85.17375532
_cell_angle_gamma 60.75174218
_space_g... |
MoveTowardsAtomAction | 9bb51a39-6ee6-4309-9578-46a3ea23fdd2 | mp-1377792 | Move the atom at index 6 towards the atom at index 12 by 0.29 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4V2Ir2O12
_chemical_formula_sum "Mg4 V2 Ir2 O12"
_cell_length_a 5.275469
_cell_length_b 5.115261
_cell_length_c 9.03851202
_cell_angle_alpha 55.72667628
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg4V2Ir2O12
_chemical_formula_sum "Mg4 V2 Ir2 O12"
_cell_length_a 5.275469
_cell_length_b 5.115261
_cell_length_c 9.03851202
_cell_angle_alpha 55.72667628
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 17b58660-c643-4d65-9aa4-a0f9b8198ebd | mp-1174544 | Move the atom at index 10 towards the atom at index 13 by 1.412 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 2.944711
_cell_length_b 5.1004160800000005
_cell_length_c 17.2736048
_cell_angle_alpha 95.32903194999999
_cell_angle_beta 88.82123337
_cell_angle_gamma 105.12908574... | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 2.944711
_cell_length_b 5.1004160800000005
_cell_length_c 17.2736048
_cell_angle_alpha 95.32903194999999
_cell_angle_beta 88.82123337
_cell_angle_gamma 105.12908574... |
MoveTowardsAtomAction | 9cfec87b-961a-4b64-97f0-debc5d89dde2 | mp-733581 | Move the atom at index 45 towards the atom at index 65 by 0.704 angstrom in the cif file. | data_image0
_chemical_formula_structural Pr8H8Se16O48
_chemical_formula_sum "Pr8 H8 Se16 O48"
_cell_length_a 7.08154831
_cell_length_b 8.41853341
_cell_length_c 18.8842553
_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 Pr8H8Se16O48
_chemical_formula_sum "Pr8 H8 Se16 O48"
_cell_length_a 7.08154831
_cell_length_b 8.41853341
_cell_length_c 18.8842553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 77d8a304-3f93-4f00-8f35-53e5ea342b1c | mp-532718 | Move the atom at index 16 towards the atom at index 36 by 1.35 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Nd6Mn12O36
_chemical_formula_sum "Ca6 Nd6 Mn12 O36"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_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 Ca6Nd6Mn12O36
_chemical_formula_sum "Ca6 Nd6 Mn12 O36"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | aa7446b3-5458-400a-a448-bb580e8480ae | mp-756218 | Move the atom at index 12 towards the atom at index 1 by 1.478 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V2Cr2O8
_chemical_formula_sum "Li2 V2 Cr2 O8"
_cell_length_a 5.84010577
_cell_length_b 5.83504027
_cell_length_c 5.77845652
_cell_angle_alpha 91.6471868
_cell_angle_beta 120.44420644
_cell_angle_gamma 59.70630936
_space_group_na... | data_image0
_chemical_formula_structural Li2V2Cr2O8
_chemical_formula_sum "Li2 V2 Cr2 O8"
_cell_length_a 5.84010577
_cell_length_b 5.83504027
_cell_length_c 5.77845652
_cell_angle_alpha 91.6471868
_cell_angle_beta 120.44420644
_cell_angle_gamma 59.70630936
_space_group_na... |
MoveTowardsAtomAction | d6e1ce67-6f54-4cc5-9bb0-6d30c2df653d | mp-23792 | Move the atom at index 17 towards the atom at index 4 by 1.095 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... |
MoveTowardsAtomAction | 7a512563-cbe1-48eb-8945-fc560909f074 | mp-754356 | Move the atom at index 38 towards the atom at index 48 by 0.232 angstrom in the cif file. | data_image0
_chemical_formula_structural Na10Mn4P4C4O28
_chemical_formula_sum "Na10 Mn4 P4 C4 O28"
_cell_length_a 6.63058431
_cell_length_b 10.56808174
_cell_length_c 10.433935000000002
_cell_angle_alpha 119.59234913
_cell_angle_beta 88.81323704
_cell_angle_gamma 90.146987... | data_image0
_chemical_formula_structural Na10Mn4P4C4O28
_chemical_formula_sum "Na10 Mn4 P4 C4 O28"
_cell_length_a 6.63058431
_cell_length_b 10.56808174
_cell_length_c 10.433935000000002
_cell_angle_alpha 119.59234913
_cell_angle_beta 88.81323704
_cell_angle_gamma 90.146987... |
MoveTowardsAtomAction | e628900d-424e-4508-b8fe-04aa119ca825 | mp-1213037 | Move the atom at index 10 towards the atom at index 4 by 0.294 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Li4As4
_chemical_formula_sum "K4 Li4 As4"
_cell_length_a 4.311587
_cell_length_b 12.867966
_cell_length_c 14.594449
_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 K4Li4As4
_chemical_formula_sum "K4 Li4 As4"
_cell_length_a 4.311587
_cell_length_b 12.867966
_cell_length_c 14.594449
_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... |
MoveTowardsAtomAction | 40a26495-5741-41f8-99a1-95a70820a99e | mp-1193391 | Move the atom at index 16 towards the atom at index 2 by 0.355 angstrom in the cif file. | data_image0
_chemical_formula_structural Co2P2N2O20
_chemical_formula_sum "Co2 P2 N2 O20"
_cell_length_a 7.846009
_cell_length_b 4.907373
_cell_length_c 12.329286
_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 Co2P2N2O20
_chemical_formula_sum "Co2 P2 N2 O20"
_cell_length_a 7.846009
_cell_length_b 4.907373
_cell_length_c 12.329286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveTowardsAtomAction | 081346e6-5343-4131-b3a3-396830020f19 | mp-759392 | Move the atom at index 19 towards the atom at index 5 by 0.596 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn4F20
_chemical_formula_sum "Li8 Mn4 F20"
_cell_length_a 5.136198
_cell_length_b 7.41645
_cell_length_c 9.929168740000001
_cell_angle_alpha 70.28427604000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Mn4F20
_chemical_formula_sum "Li8 Mn4 F20"
_cell_length_a 5.136198
_cell_length_b 7.41645
_cell_length_c 9.929168740000001
_cell_angle_alpha 70.28427604000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveTowardsAtomAction | 0c8a30a2-88c9-49c0-b848-e858e72e65d9 | mp-755952 | Move the atom at index 9 towards the atom at index 22 by 1.514 angstrom in the cif file. | data_image0
_chemical_formula_structural VCu3P4O16
_chemical_formula_sum "V1 Cu3 P4 O16"
_cell_length_a 5.911984
_cell_length_b 4.853885
_cell_length_c 9.78967238
_cell_angle_alpha 89.39078934
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural VCu3P4O16
_chemical_formula_sum "V1 Cu3 P4 O16"
_cell_length_a 5.911984
_cell_length_b 4.853885
_cell_length_c 9.78967238
_cell_angle_alpha 89.39078934
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 598162e2-cddb-477d-a6f8-e84c78f1797c | mp-1172905 | Move the atom at index 3 towards the atom at index 0 by 0.328 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"... |
MoveTowardsAtomAction | 009dd317-a611-4f6b-87e1-cbc1842bc725 | mp-1198564 | Move the atom at index 22 towards the atom at index 35 by 0.365 angstrom in the cif file. | data_image0
_chemical_formula_structural Eu12Cu12Ge12
_chemical_formula_sum "Eu12 Cu12 Ge12"
_cell_length_a 4.500955
_cell_length_b 7.637562
_cell_length_c 22.479168
_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 Eu12Cu12Ge12
_chemical_formula_sum "Eu12 Cu12 Ge12"
_cell_length_a 4.500955
_cell_length_b 7.637562
_cell_length_c 22.479168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveTowardsAtomAction | 33591674-e9ea-470b-902f-169d32b504c3 | mp-1033833 | Move the atom at index 10 towards the atom at index 11 by 0.82 angstrom in the cif file. | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... |
MoveTowardsAtomAction | 046c85f2-fc92-4e40-b8cf-207b28784748 | mp-1220828 | Move the atom at index 42 towards the atom at index 40 by 0.685 angstrom in the cif file. | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... |
MoveTowardsAtomAction | 430eff81-7025-48bb-a62a-9cd6f2ab5c82 | mp-1197275 | Move the atom at index 25 towards the atom at index 19 by 1.148 angstrom in the cif file. | data_image0
_chemical_formula_structural Tb8Fe56C4
_chemical_formula_sum "Tb8 Fe56 C4"
_cell_length_a 8.729041
_cell_length_b 8.729041
_cell_length_c 11.772369
_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 Tb8Fe56C4
_chemical_formula_sum "Tb8 Fe56 C4"
_cell_length_a 8.729041
_cell_length_b 8.729041
_cell_length_c 11.772369
_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... |
MoveTowardsAtomAction | 4913a050-d57c-4164-bcdf-423e093e11e0 | mp-1039781 | Move the atom at index 60 towards the atom at index 4 by 1.415 angstrom in the cif file. | data_image0
_chemical_formula_structural NaMg30WO32
_chemical_formula_sum "Na1 Mg30 W1 O32"
_cell_length_a 8.565666
_cell_length_b 8.565666
_cell_length_c 8.56018
_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 NaMg30WO32
_chemical_formula_sum "Na1 Mg30 W1 O32"
_cell_length_a 8.565666
_cell_length_b 8.565666
_cell_length_c 8.56018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveTowardsAtomAction | f6344571-bbf3-436e-af48-78b3d9344505 | mp-866658 | Move the atom at index 26 towards the atom at index 2 by 1.01 angstrom in the cif file. | data_image0
_chemical_formula_structural H16RhN5Cl6O3
_chemical_formula_sum "H16 Rh1 N5 Cl6 O3"
_cell_length_a 9.33784635
_cell_length_b 9.33784635
_cell_length_c 9.33784639
_cell_angle_alpha 43.55420994000001
_cell_angle_beta 43.55420994
_cell_angle_gamma 43.5542098099999... | data_image0
_chemical_formula_structural H16RhN5Cl6O3
_chemical_formula_sum "H16 Rh1 N5 Cl6 O3"
_cell_length_a 9.33784635
_cell_length_b 9.33784635
_cell_length_c 9.33784639
_cell_angle_alpha 43.55420994000001
_cell_angle_beta 43.55420994
_cell_angle_gamma 43.5542098099999... |
MoveTowardsAtomAction | 32f7b00b-0642-42e5-b963-6423f3c9afa5 | mp-1224552 | Move the atom at index 4 towards the atom at index 6 by 1.475 angstrom in the cif file. | data_image0
_chemical_formula_structural Ho4NiSn8
_chemical_formula_sum "Ho4 Ni1 Sn8"
_cell_length_a 4.390995
_cell_length_b 4.397435
_cell_length_c 16.888049
_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 Ho4NiSn8
_chemical_formula_sum "Ho4 Ni1 Sn8"
_cell_length_a 4.390995
_cell_length_b 4.397435
_cell_length_c 16.888049
_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... |
MoveTowardsAtomAction | 69916318-c001-4259-8492-456331aea274 | mp-1200515 | Move the atom at index 4 towards the atom at index 28 by 0.351 angstrom in the cif file. | data_image0
_chemical_formula_structural Tb20Si16
_chemical_formula_sum "Tb20 Si16"
_cell_length_a 7.48899009
_cell_length_b 7.70841404
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 90.00552247
_cell_angle_gamma 89.99549034
_space_group_n... | data_image0
_chemical_formula_structural Tb20Si16
_chemical_formula_sum "Tb20 Si16"
_cell_length_a 7.48899009
_cell_length_b 7.70841404
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 90.00552247
_cell_angle_gamma 89.99549034
_space_group_n... |
MoveTowardsAtomAction | 4755e17f-cccc-4830-9bad-ae1663c64592 | mp-1205091 | Move the atom at index 30 towards the atom at index 20 by 0.131 angstrom in the cif file. | data_image0
_chemical_formula_structural K4B24F24
_chemical_formula_sum "K4 B24 F24"
_cell_length_a 8.36979153
_cell_length_b 8.36979153
_cell_length_c 11.53401593
_cell_angle_alpha 88.54504346999998
_cell_angle_beta 88.54504346999998
_cell_angle_gamma 120.21922669999998
... | data_image0
_chemical_formula_structural K4B24F24
_chemical_formula_sum "K4 B24 F24"
_cell_length_a 8.36979153
_cell_length_b 8.36979153
_cell_length_c 11.53401593
_cell_angle_alpha 88.54504346999998
_cell_angle_beta 88.54504346999998
_cell_angle_gamma 120.21922669999998
... |
MoveTowardsAtomAction | 2e02c3fd-8868-42d5-b4c6-64a55c5f37f5 | mp-621667 | Move the atom at index 7 towards the atom at index 5 by 0.435 angstrom in the cif file. | data_image0
_chemical_formula_structural Eu6Ag4
_chemical_formula_sum "Eu6 Ag4"
_cell_length_a 4.3545106
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Eu6Ag4
_chemical_formula_sum "Eu6 Ag4"
_cell_length_a 4.3545106
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveTowardsAtomAction | 8c30a5b1-8b60-4a2e-be06-8c41a2e9f389 | mp-1305321 | Move the atom at index 19 towards the atom at index 1 by 1.196 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn4O8F4
_chemical_formula_sum "Li8 Mn4 O8 F4"
_cell_length_a 3.05235613
_cell_length_b 14.693265340000002
_cell_length_c 5.06606481
_cell_angle_alpha 81.73800875
_cell_angle_beta 86.33348749
_cell_angle_gamma 86.62612284000001
_... | data_image0
_chemical_formula_structural Li8Mn4O8F4
_chemical_formula_sum "Li8 Mn4 O8 F4"
_cell_length_a 3.05235613
_cell_length_b 14.693265340000002
_cell_length_c 5.06606481
_cell_angle_alpha 81.73800875
_cell_angle_beta 86.33348749
_cell_angle_gamma 86.62612284000001
_... |
MoveTowardsAtomAction | 57333df0-b4ff-4915-a3c5-bfb807f3bf99 | mp-1042364 | Move the atom at index 47 towards the atom at index 0 by 2.413 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Ta8Bi8O40
_chemical_formula_sum "Ca8 Ta8 Bi8 O40"
_cell_length_a 5.630171
_cell_length_b 11.515526
_cell_length_c 16.534408
_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 Ca8Ta8Bi8O40
_chemical_formula_sum "Ca8 Ta8 Bi8 O40"
_cell_length_a 5.630171
_cell_length_b 11.515526
_cell_length_c 16.534408
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 84e76d41-3b10-4dc2-8cb7-995124643083 | mp-1218449 | Move the atom at index 16 towards the atom at index 6 by 2.536 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... |
MoveTowardsAtomAction | 4f744d60-62c5-4266-8f1d-351fde9cf168 | mp-2219699 | Move the atom at index 7 towards the atom at index 6 by 2.515 angstrom in the cif file. | data_image0
_chemical_formula_structural K2MgRe2O8
_chemical_formula_sum "K2 Mg1 Re2 O8"
_cell_length_a 5.54549561
_cell_length_b 6.37898571
_cell_length_c 7.9827836
_cell_angle_alpha 113.78128377
_cell_angle_beta 110.25819822000001
_cell_angle_gamma 90.07065235
_space_gr... | data_image0
_chemical_formula_structural K2MgRe2O8
_chemical_formula_sum "K2 Mg1 Re2 O8"
_cell_length_a 5.54549561
_cell_length_b 6.37898571
_cell_length_c 7.9827836
_cell_angle_alpha 113.78128377
_cell_angle_beta 110.25819822000001
_cell_angle_gamma 90.07065235
_space_gr... |
MoveTowardsAtomAction | 34f962df-a25f-44a9-83a2-6d8b2924f8cf | mp-777965 | Move the atom at index 3 towards the atom at index 11 by 2.647 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ti11O24
_chemical_formula_sum "Na4 Ti11 O24"
_cell_length_a 10.50339217
_cell_length_b 10.50339217
_cell_length_c 6.15520938
_cell_angle_alpha 73.95641705
_cell_angle_beta 73.95641705
_cell_angle_gamma 119.97407326000001
_space_... | data_image0
_chemical_formula_structural Na4Ti11O24
_chemical_formula_sum "Na4 Ti11 O24"
_cell_length_a 10.50339217
_cell_length_b 10.50339217
_cell_length_c 6.15520938
_cell_angle_alpha 73.95641705
_cell_angle_beta 73.95641705
_cell_angle_gamma 119.97407326000001
_space_... |
MoveTowardsAtomAction | 23fbc865-710e-482b-a4b1-3dbfc5d0b076 | mp-1218473 | Move the atom at index 1 towards the atom at index 3 by 2.085 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr3CaCu2O6
_chemical_formula_sum "Sr3 Ca1 Cu2 O6"
_cell_length_a 6.80543418
_cell_length_b 6.80543418
_cell_length_c 6.96655439
_cell_angle_alpha 75.182527
_cell_angle_beta 75.182527
_cell_angle_gamma 33.62898998999999
_space_group... | data_image0
_chemical_formula_structural Sr3CaCu2O6
_chemical_formula_sum "Sr3 Ca1 Cu2 O6"
_cell_length_a 6.80543418
_cell_length_b 6.80543418
_cell_length_c 6.96655439
_cell_angle_alpha 75.182527
_cell_angle_beta 75.182527
_cell_angle_gamma 33.62898998999999
_space_group... |
MoveTowardsAtomAction | ac555637-77c7-445d-a8a9-cc409b43b55f | mp-2230615 | Move the atom at index 3 towards the atom at index 2 by 0.888 angstrom in the cif file. | data_image0
_chemical_formula_structural MgCo5SnO12
_chemical_formula_sum "Mg1 Co5 Sn1 O12"
_cell_length_a 5.16798225
_cell_length_b 5.06228585
_cell_length_c 10.05426768
_cell_angle_alpha 93.92568172
_cell_angle_beta 97.56611219000001
_cell_angle_gamma 59.34081011
_space... | data_image0
_chemical_formula_structural MgCo5SnO12
_chemical_formula_sum "Mg1 Co5 Sn1 O12"
_cell_length_a 5.16798225
_cell_length_b 5.06228585
_cell_length_c 10.05426768
_cell_angle_alpha 93.92568172
_cell_angle_beta 97.56611219000001
_cell_angle_gamma 59.34081011
_space... |
MoveTowardsAtomAction | e1a8d64b-e229-42a8-98ce-8be2c2ef2226 | mp-1209541 | Move the atom at index 12 towards the atom at index 10 by 1.638 angstrom in the cif file. | data_image0
_chemical_formula_structural Se3N3O12
_chemical_formula_sum "Se3 N3 O12"
_cell_length_a 9.26032011
_cell_length_b 9.26032011
_cell_length_c 5.68882602
_cell_angle_alpha 82.87290882000002
_cell_angle_beta 82.87290882000002
_cell_angle_gamma 53.16993631
_space_g... | data_image0
_chemical_formula_structural Se3N3O12
_chemical_formula_sum "Se3 N3 O12"
_cell_length_a 9.26032011
_cell_length_b 9.26032011
_cell_length_c 5.68882602
_cell_angle_alpha 82.87290882000002
_cell_angle_beta 82.87290882000002
_cell_angle_gamma 53.16993631
_space_g... |
MoveTowardsAtomAction | 3817b040-7689-4bdc-b37e-bd5759ca92b3 | mp-1209106 | Move the atom at index 19 towards the atom at index 11 by 1.176 angstrom in the cif file. | data_image0
_chemical_formula_structural Sb8Cl2O12
_chemical_formula_sum "Sb8 Cl2 O12"
_cell_length_a 9.8282001
_cell_length_b 9.8282001
_cell_length_c 10.9813657
_cell_angle_alpha 69.18075124000002
_cell_angle_beta 69.18075124000002
_cell_angle_gamma 24.235533709999995
_... | data_image0
_chemical_formula_structural Sb8Cl2O12
_chemical_formula_sum "Sb8 Cl2 O12"
_cell_length_a 9.8282001
_cell_length_b 9.8282001
_cell_length_c 10.9813657
_cell_angle_alpha 69.18075124000002
_cell_angle_beta 69.18075124000002
_cell_angle_gamma 24.235533709999995
_... |
MoveTowardsAtomAction | ee2a54c3-4e4b-495f-b6e9-0d5be89ce8ab | mp-1518830 | Move the atom at index 22 towards the atom at index 10 by 2.256 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Ba4Tb4Bi4O24
_chemical_formula_sum "K4 Ba4 Tb4 Bi4 O24"
_cell_length_a 8.74178874
_cell_length_b 8.70938544
_cell_length_c 8.75197493
_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 K4Ba4Tb4Bi4O24
_chemical_formula_sum "K4 Ba4 Tb4 Bi4 O24"
_cell_length_a 8.74178874
_cell_length_b 8.70938544
_cell_length_c 8.75197493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 8b72c00d-f458-4fa0-b6c9-e4ff17ddeca7 | mp-1047828 | Move the atom at index 5 towards the atom at index 23 by 0.868 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Mn8O18
_chemical_formula_sum "Mg2 Mn8 O18"
_cell_length_a 8.490018
_cell_length_b 8.490018
_cell_length_c 4.787582
_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 Mg2Mn8O18
_chemical_formula_sum "Mg2 Mn8 O18"
_cell_length_a 8.490018
_cell_length_b 8.490018
_cell_length_c 4.787582
_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... |
MoveTowardsAtomAction | f458647f-d733-4387-9e9b-ff08ea15bf85 | mp-1205734 | Move the atom at index 9 towards the atom at index 0 by 2.35 angstrom in the cif file. | data_image0
_chemical_formula_structural Y2Re4Si2C2
_chemical_formula_sum "Y2 Re4 Si2 C2"
_cell_length_a 5.80737617
_cell_length_b 5.807376170000001
_cell_length_c 7.317291
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.13848847999995
_space_group_name... | data_image0
_chemical_formula_structural Y2Re4Si2C2
_chemical_formula_sum "Y2 Re4 Si2 C2"
_cell_length_a 5.80737617
_cell_length_b 5.807376170000001
_cell_length_c 7.317291
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.13848847999995
_space_group_name... |
MoveTowardsAtomAction | 6d93f06a-ed14-4a7e-9e77-42f1a16b9e66 | mp-559790 | Move the atom at index 27 towards the atom at index 21 by 2.776 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Nb6Cl14O10
_chemical_formula_sum "K4 Nb6 Cl14 O10"
_cell_length_a 9.65668465
_cell_length_b 9.65668465
_cell_length_c 11.31733892
_cell_angle_alpha 69.91254741
_cell_angle_beta 69.91254741
_cell_angle_gamma 55.54566693999999
_spa... | data_image0
_chemical_formula_structural K4Nb6Cl14O10
_chemical_formula_sum "K4 Nb6 Cl14 O10"
_cell_length_a 9.65668465
_cell_length_b 9.65668465
_cell_length_c 11.31733892
_cell_angle_alpha 69.91254741
_cell_angle_beta 69.91254741
_cell_angle_gamma 55.54566693999999
_spa... |
MoveTowardsAtomAction | 502a2d11-7ceb-4596-a022-439a36494cbf | mp-2209216 | Move the atom at index 9 towards the atom at index 4 by 2.296 angstrom in the cif file. | data_image0
_chemical_formula_structural Li16Zn4Ge6
_chemical_formula_sum "Li16 Zn4 Ge6"
_cell_length_a 9.14862888
_cell_length_b 9.14862888
_cell_length_c 9.14862899
_cell_angle_alpha 48.211775040000006
_cell_angle_beta 48.211775040000006
_cell_angle_gamma 48.21177448
_s... | data_image0
_chemical_formula_structural Li16Zn4Ge6
_chemical_formula_sum "Li16 Zn4 Ge6"
_cell_length_a 9.14862888
_cell_length_b 9.14862888
_cell_length_c 9.14862899
_cell_angle_alpha 48.211775040000006
_cell_angle_beta 48.211775040000006
_cell_angle_gamma 48.21177448
_s... |
MoveTowardsAtomAction | ed72ce07-b5a5-4460-be66-c22ea41bbf25 | mp-1221055 | Move the atom at index 28 towards the atom at index 4 by 0.121 angstrom in the cif file. | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... |
MoveTowardsAtomAction | 0e6ca27d-1d88-4c6f-acc3-92cf03d5e443 | mp-850962 | Move the atom at index 31 towards the atom at index 25 by 1.479 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Fe12Si12O48
_chemical_formula_sum "Li6 Fe12 Si12 O48"
_cell_length_a 10.90735927
_cell_length_b 10.90735927
_cell_length_c 11.848258
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_... | data_image0
_chemical_formula_structural Li6Fe12Si12O48
_chemical_formula_sum "Li6 Fe12 Si12 O48"
_cell_length_a 10.90735927
_cell_length_b 10.90735927
_cell_length_c 11.848258
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_... |
MoveTowardsAtomAction | 8907b8dc-2b41-45a0-8b92-1788f4b29076 | mp-1202398 | Move the atom at index 10 towards the atom at index 5 by 0.385 angstrom in the cif file. | data_image0
_chemical_formula_structural Ge4C16N4Cl12
_chemical_formula_sum "Ge4 C16 N4 Cl12"
_cell_length_a 8.123458
_cell_length_b 8.500134
_cell_length_c 12.085114
_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 Ge4C16N4Cl12
_chemical_formula_sum "Ge4 C16 N4 Cl12"
_cell_length_a 8.123458
_cell_length_b 8.500134
_cell_length_c 12.085114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveTowardsAtomAction | b663dbea-1c6c-4cf5-9fe6-11ce7451b209 | mp-1246294 | Move the atom at index 0 towards the atom at index 13 by 0.44 angstrom in the cif file. | data_image0
_chemical_formula_structural Dy2Mg2Ti2S8
_chemical_formula_sum "Dy2 Mg2 Ti2 S8"
_cell_length_a 7.75151795
_cell_length_b 7.607206660000001
_cell_length_c 7.60030167
_cell_angle_alpha 58.66867511000001
_cell_angle_beta 59.36751187
_cell_angle_gamma 59.34563601
... | data_image0
_chemical_formula_structural Dy2Mg2Ti2S8
_chemical_formula_sum "Dy2 Mg2 Ti2 S8"
_cell_length_a 7.75151795
_cell_length_b 7.607206660000001
_cell_length_c 7.60030167
_cell_angle_alpha 58.66867511000001
_cell_angle_beta 59.36751187
_cell_angle_gamma 59.34563601
... |
MoveTowardsAtomAction | 42ea1d0a-bb69-4d26-b892-2ffb94484c8c | mp-554002 | Move the atom at index 3 towards the atom at index 7 by 0.218 angstrom in the cif file. | data_image0
_chemical_formula_structural Al2H6O6
_chemical_formula_sum "Al2 H6 O6"
_cell_length_a 4.959562
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Al2H6O6
_chemical_formula_sum "Al2 H6 O6"
_cell_length_a 4.959562
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_space_group_name_H-M_... |
MoveTowardsAtomAction | e99da2db-642b-48fb-a6d7-fd56b9edb138 | mp-765804 | Move the atom at index 2 towards the atom at index 12 by 0.47 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6VF8
_chemical_formula_sum "Li6 V1 F8"
_cell_length_a 5.93882439
_cell_length_b 5.93882439
_cell_length_c 5.93882439
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Li6VF8
_chemical_formula_sum "Li6 V1 F8"
_cell_length_a 5.93882439
_cell_length_b 5.93882439
_cell_length_c 5.93882439
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... |
MoveTowardsAtomAction | 192d8372-11e3-4fdb-ae60-02fd13494443 | mp-1250606 | Move the atom at index 32 towards the atom at index 26 by 0.793 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Al2H20Cl2O16
_chemical_formula_sum "Ca4 Al2 H20 Cl2 O16"
_cell_length_a 10.74289779
_cell_length_b 8.85810288
_cell_length_c 8.85810288
_cell_angle_alpha 41.84762657000001
_cell_angle_beta 100.38471685999998
_cell_angle_gamma 100... | data_image0
_chemical_formula_structural Ca4Al2H20Cl2O16
_chemical_formula_sum "Ca4 Al2 H20 Cl2 O16"
_cell_length_a 10.74289779
_cell_length_b 8.85810288
_cell_length_c 8.85810288
_cell_angle_alpha 41.84762657000001
_cell_angle_beta 100.38471685999998
_cell_angle_gamma 100... |
MoveTowardsAtomAction | f36682c1-28b1-4450-ad1a-44b1c242d011 | mp-2216235 | Move the atom at index 20 towards the atom at index 25 by 0.502 angstrom in the cif file. | data_image0
_chemical_formula_structural MgBi4P8O28
_chemical_formula_sum "Mg1 Bi4 P8 O28"
_cell_length_a 9.23606738
_cell_length_b 5.248148989999999
_cell_length_c 13.60261934
_cell_angle_alpha 89.69533841
_cell_angle_beta 103.8476226
_cell_angle_gamma 90.14299218999999
... | data_image0
_chemical_formula_structural MgBi4P8O28
_chemical_formula_sum "Mg1 Bi4 P8 O28"
_cell_length_a 9.23606738
_cell_length_b 5.248148989999999
_cell_length_c 13.60261934
_cell_angle_alpha 89.69533841
_cell_angle_beta 103.8476226
_cell_angle_gamma 90.14299218999999
... |
MoveTowardsAtomAction | 036e592e-ce59-4fde-9aef-d33dfc54d31c | mp-554749 | Move the atom at index 68 towards the atom at index 19 by 2.962 angstrom in the cif file. | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... |
MoveTowardsAtomAction | 20a378cb-f107-459e-ae03-3c1cc9aef43d | mp-1040209 | Move the atom at index 50 towards the atom at index 15 by 0.777 angstrom in the cif file. | data_image0
_chemical_formula_structural KMg30GaO32
_chemical_formula_sum "K1 Mg30 Ga1 O32"
_cell_length_a 8.606815
_cell_length_b 8.606815
_cell_length_c 8.552012
_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 KMg30GaO32
_chemical_formula_sum "K1 Mg30 Ga1 O32"
_cell_length_a 8.606815
_cell_length_b 8.606815
_cell_length_c 8.552012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveTowardsAtomAction | 8798c117-d980-4570-8ef3-7df4bb99e176 | mp-19408 | Move the atom at index 20 towards the atom at index 11 by 2.709 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V8O20
_chemical_formula_sum "Li4 V8 O20"
_cell_length_a 3.642142
_cell_length_b 9.89108
_cell_length_c 11.118627
_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 Li4V8O20
_chemical_formula_sum "Li4 V8 O20"
_cell_length_a 3.642142
_cell_length_b 9.89108
_cell_length_c 11.118627
_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... |
MoveTowardsAtomAction | 3cd3a09a-924e-40ca-8054-e50b1cd65879 | mp-9750 | Move the atom at index 0 towards the atom at index 11 by 1.821 angstrom in the cif file. | data_image0
_chemical_formula_structural Sb2P2O10
_chemical_formula_sum "Sb2 P2 O10"
_cell_length_a 5.26815699
_cell_length_b 5.268157899999999
_cell_length_c 7.05433983
_cell_angle_alpha 106.36092716
_cell_angle_beta 106.36092178999999
_cell_angle_gamma 99.94077481000001
... | data_image0
_chemical_formula_structural Sb2P2O10
_chemical_formula_sum "Sb2 P2 O10"
_cell_length_a 5.26815699
_cell_length_b 5.268157899999999
_cell_length_c 7.05433983
_cell_angle_alpha 106.36092716
_cell_angle_beta 106.36092178999999
_cell_angle_gamma 99.94077481000001
... |
MoveTowardsAtomAction | bc672625-7a97-48fd-a5f2-32caf3993cd0 | mp-1028096 | Move the atom at index 3 towards the atom at index 8 by 1.695 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 "... |
MoveTowardsAtomAction | 63e91993-7b7e-44ad-ab8b-a94a1bc41e78 | mp-680113 | Move the atom at index 18 towards the atom at index 9 by 2.09 angstrom in the cif file. | data_image0
_chemical_formula_structural Cd11I22
_chemical_formula_sum "Cd11 I22"
_cell_length_a 4.34388855
_cell_length_b 4.34388855
_cell_length_c 81.037434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000844999998
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd11I22
_chemical_formula_sum "Cd11 I22"
_cell_length_a 4.34388855
_cell_length_b 4.34388855
_cell_length_c 81.037434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000844999998
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | dd11bb6a-4a9f-4c70-a37b-849514b91e27 | mp-729907 | Move the atom at index 72 towards the atom at index 66 by 0.429 angstrom in the cif file. | data_image0
_chemical_formula_structural NiH48C16S8N2O14
_chemical_formula_sum "Ni1 H48 C16 S8 N2 O14"
_cell_length_a 9.869812
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_angle_beta 109.69344817
_cell_angle_gamma ... | data_image0
_chemical_formula_structural NiH48C16S8N2O14
_chemical_formula_sum "Ni1 H48 C16 S8 N2 O14"
_cell_length_a 9.869812
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_angle_beta 109.69344817
_cell_angle_gamma ... |
MoveTowardsAtomAction | e8536dc4-011f-455f-a8ea-453556c44eee | mp-622785 | Move the atom at index 42 towards the atom at index 61 by 2.066 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe16S16N16O16
_chemical_formula_sum "Fe16 S16 N16 O16"
_cell_length_a 10.435039
_cell_length_b 11.217004
_cell_length_c 15.292553349999999
_cell_angle_alpha 58.19865374999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Fe16S16N16O16
_chemical_formula_sum "Fe16 S16 N16 O16"
_cell_length_a 10.435039
_cell_length_b 11.217004
_cell_length_c 15.292553349999999
_cell_angle_alpha 58.19865374999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
MoveTowardsAtomAction | bef9e5bc-c53d-4e04-85ce-d8211c2fd0a3 | mp-1207874 | Move the atom at index 22 towards the atom at index 14 by 2.92 angstrom in the cif file. | data_image0
_chemical_formula_structural Y6Si7Ni16
_chemical_formula_sum "Y6 Si7 Ni16"
_cell_length_a 8.3055221
_cell_length_b 8.3055221
_cell_length_c 8.3055221
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... | data_image0
_chemical_formula_structural Y6Si7Ni16
_chemical_formula_sum "Y6 Si7 Ni16"
_cell_length_a 8.3055221
_cell_length_b 8.3055221
_cell_length_c 8.3055221
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... |
MoveTowardsAtomAction | 1b9d7995-152d-4cde-ab8a-9e4959992d77 | mp-11609 | Move the atom at index 4 towards the atom at index 5 by 0.969 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... |
MoveTowardsAtomAction | 026ee79f-0cbb-418c-84ba-47601b7cbcf6 | mp-861612 | Move the atom at index 4 towards the atom at index 18 by 0.795 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | d91885b0-c7df-40f2-9802-c8f83582d792 | mp-661715 | Move the atom at index 16 towards the atom at index 3 by 0.687 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... |
MoveTowardsAtomAction | 520a9822-3a66-451f-b300-41718819f4ad | mp-28730 | Move the atom at index 11 towards the atom at index 20 by 0.388 angstrom in the cif file. | data_image0
_chemical_formula_structural In28Cl36
_chemical_formula_sum "In28 Cl36"
_cell_length_a 12.2317628
_cell_length_b 12.2317628
_cell_length_c 12.2317628
_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 In28Cl36
_chemical_formula_sum "In28 Cl36"
_cell_length_a 12.2317628
_cell_length_b 12.2317628
_cell_length_c 12.2317628
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveTowardsAtomAction | 91a5e669-4182-44fb-943c-5af4cbd38797 | mp-1245687 | Move the atom at index 10 towards the atom at index 35 by 0.654 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta16Te12N8
_chemical_formula_sum "Ta16 Te12 N8"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_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 Ta16Te12N8
_chemical_formula_sum "Ta16 Te12 N8"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveTowardsAtomAction | 72623523-37eb-4587-afad-988640409b63 | mp-1033461 | Move the atom at index 2 towards the atom at index 13 by 0.694 angstrom in the cif file. | data_image0
_chemical_formula_structural BaMg6CrO8
_chemical_formula_sum "Ba1 Mg6 Cr1 O8"
_cell_length_a 8.75022402
_cell_length_b 4.70931995
_cell_length_c 4.70931995
_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 BaMg6CrO8
_chemical_formula_sum "Ba1 Mg6 Cr1 O8"
_cell_length_a 8.75022402
_cell_length_b 4.70931995
_cell_length_c 4.70931995
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 83d940d1-2cdb-46ef-adef-ed17ee2ed6dd | mp-1223543 | Move the atom at index 29 towards the atom at index 38 by 2.146 angstrom in the cif file. | data_image0
_chemical_formula_structural K4H12Se8O24
_chemical_formula_sum "K4 H12 Se8 O24"
_cell_length_a 6.438519
_cell_length_b 6.476977
_cell_length_c 16.205754
_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 K4H12Se8O24
_chemical_formula_sum "K4 H12 Se8 O24"
_cell_length_a 6.438519
_cell_length_b 6.476977
_cell_length_c 16.205754
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | 1d666a6f-1136-479e-8623-bd5082b65f73 | mp-1176381 | Move the atom at index 14 towards the atom at index 15 by 0.364 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Li2Fe2P2C2O14
_chemical_formula_sum "Na4 Li2 Fe2 P2 C2 O14"
_cell_length_a 5.160677
_cell_length_b 6.65493372
_cell_length_c 8.860766310000002
_cell_angle_alpha 89.02148639
_cell_angle_beta 87.9522642
_cell_angle_gamma 89.8605170... | data_image0
_chemical_formula_structural Na4Li2Fe2P2C2O14
_chemical_formula_sum "Na4 Li2 Fe2 P2 C2 O14"
_cell_length_a 5.160677
_cell_length_b 6.65493372
_cell_length_c 8.860766310000002
_cell_angle_alpha 89.02148639
_cell_angle_beta 87.9522642
_cell_angle_gamma 89.8605170... |
MoveTowardsAtomAction | 6123dbc8-a9ec-4896-b782-077c825a8b60 | mp-1206399 | Move the atom at index 3 towards the atom at index 5 by 0.519 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... |
MoveTowardsAtomAction | 668f3a6d-4d53-4b3a-a836-1fd6a056dc76 | mp-1219666 | Move the atom at index 2 towards the atom at index 0 by 1.875 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb3Se2O8
_chemical_formula_sum "Rb3 Se2 O8"
_cell_length_a 6.15841454
_cell_length_b 6.15841454
_cell_length_c 8.52826787
_cell_angle_alpha 67.49247653
_cell_angle_beta 67.49247652999999
_cell_angle_gamma 60.11680434000001
_space_g... | data_image0
_chemical_formula_structural Rb3Se2O8
_chemical_formula_sum "Rb3 Se2 O8"
_cell_length_a 6.15841454
_cell_length_b 6.15841454
_cell_length_c 8.52826787
_cell_angle_alpha 67.49247653
_cell_angle_beta 67.49247652999999
_cell_angle_gamma 60.11680434000001
_space_g... |
MoveTowardsAtomAction | 60dffef7-fdf6-4081-b3c1-3626e67558c5 | mp-1190028 | Move the atom at index 3 towards the atom at index 10 by 1.245 angstrom in the cif file. | data_image0
_chemical_formula_structural Tm3Al9Ni6
_chemical_formula_sum "Tm3 Al9 Ni6"
_cell_length_a 8.89713641
_cell_length_b 8.89713641
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Tm3Al9Ni6
_chemical_formula_sum "Tm3 Al9 Ni6"
_cell_length_a 8.89713641
_cell_length_b 8.89713641
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... |
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