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 | 3f4d79b9-4b7b-4e4a-a2fa-fdb5f768a28f | mp-1032333 | Move the atom at index 3 towards the atom at index 15 by 1.301 angstrom in the cif file. | data_image0
_chemical_formula_structural RbMg6CoO8
_chemical_formula_sum "Rb1 Mg6 Co1 O8"
_cell_length_a 9.05642871
_cell_length_b 4.41706245
_cell_length_c 4.41706245
_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 RbMg6CoO8
_chemical_formula_sum "Rb1 Mg6 Co1 O8"
_cell_length_a 9.05642871
_cell_length_b 4.41706245
_cell_length_c 4.41706245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 4a11038c-7780-47ca-8d8b-5327e79df27b | mp-752915 | Move the atom at index 2 towards the atom at index 5 by 2.136 angstrom in the cif file. | data_image0
_chemical_formula_structural LiV2Si2O8
_chemical_formula_sum "Li1 V2 Si2 O8"
_cell_length_a 4.86263869
_cell_length_b 4.86263869
_cell_length_c 6.26437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.3598841
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural LiV2Si2O8
_chemical_formula_sum "Li1 V2 Si2 O8"
_cell_length_a 4.86263869
_cell_length_b 4.86263869
_cell_length_c 6.26437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.3598841
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | a06fbdb5-83e3-4f48-b56a-9d279652f51c | mp-27013 | Move the atom at index 71 towards the atom at index 43 by 0.742 angstrom in the cif file. | data_image0
_chemical_formula_structural Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... | data_image0
_chemical_formula_structural Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... |
MoveTowardsAtomAction | de967178-a772-4750-afe2-afce53df2b6e | mp-1212621 | Move the atom at index 39 towards the atom at index 3 by 2.833 angstrom in the cif file. | data_image0
_chemical_formula_structural H8C12N4Cl4O4F16
_chemical_formula_sum "H8 C12 N4 Cl4 O4 F16"
_cell_length_a 5.636126
_cell_length_b 10.184876
_cell_length_c 12.25699182
_cell_angle_alpha 80.86539727000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural H8C12N4Cl4O4F16
_chemical_formula_sum "H8 C12 N4 Cl4 O4 F16"
_cell_length_a 5.636126
_cell_length_b 10.184876
_cell_length_c 12.25699182
_cell_angle_alpha 80.86539727000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
MoveTowardsAtomAction | e0703383-a8cc-4cc3-84a1-7a791ce30338 | mp-556552 | Move the atom at index 56 towards the atom at index 17 by 0.24 angstrom in the cif file. | data_image0
_chemical_formula_structural K16V4P8S36
_chemical_formula_sum "K16 V4 P8 S36"
_cell_length_a 6.905224
_cell_length_b 13.085006
_cell_length_c 19.592518
_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 K16V4P8S36
_chemical_formula_sum "K16 V4 P8 S36"
_cell_length_a 6.905224
_cell_length_b 13.085006
_cell_length_c 19.592518
_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 | 73f28455-1ebb-48b5-87df-ee35b3a2b8eb | mp-753988 | Move the atom at index 5 towards the atom at index 17 by 1.309 angstrom in the cif file. | data_image0
_chemical_formula_structural V4Cr4O12
_chemical_formula_sum "V4 Cr4 O12"
_cell_length_a 5.03078224
_cell_length_b 5.40156481
_cell_length_c 7.36508051
_cell_angle_alpha 83.90028352
_cell_angle_beta 89.90972671000002
_cell_angle_gamma 89.83364971
_space_group_n... | data_image0
_chemical_formula_structural V4Cr4O12
_chemical_formula_sum "V4 Cr4 O12"
_cell_length_a 5.03078224
_cell_length_b 5.40156481
_cell_length_c 7.36508051
_cell_angle_alpha 83.90028352
_cell_angle_beta 89.90972671000002
_cell_angle_gamma 89.83364971
_space_group_n... |
MoveTowardsAtomAction | 189958de-9403-4bd2-a2e5-92c72886034c | mp-1196228 | Move the atom at index 15 towards the atom at index 41 by 2.275 angstrom in the cif file. | data_image0
_chemical_formula_structural V12Fe8O48
_chemical_formula_sum "V12 Fe8 O48"
_cell_length_a 8.584075
_cell_length_b 9.447324
_cell_length_c 12.287255
_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 V12Fe8O48
_chemical_formula_sum "V12 Fe8 O48"
_cell_length_a 8.584075
_cell_length_b 9.447324
_cell_length_c 12.287255
_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 | 211d2ed2-ab5c-43c1-8adc-cbc9f626d954 | mp-1192151 | Move the atom at index 6 towards the atom at index 14 by 1.206 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... |
MoveTowardsAtomAction | 39ae00b5-e4f5-4928-9993-178444f17b2f | mp-1520792 | Move the atom at index 4 towards the atom at index 0 by 2.803 angstrom in the cif file. | data_image0
_chemical_formula_structural KLaZrTiO6
_chemical_formula_sum "K1 La1 Zr1 Ti1 O6"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.00... | data_image0
_chemical_formula_structural KLaZrTiO6
_chemical_formula_sum "K1 La1 Zr1 Ti1 O6"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.00... |
MoveTowardsAtomAction | 731b524b-a73a-4a5d-97bc-1be832d4d88b | mp-1521867 | Move the atom at index 9 towards the atom at index 4 by 2.254 angstrom in the cif file. | data_image0
_chemical_formula_structural KBaNdWO6
_chemical_formula_sum "K1 Ba1 Nd1 W1 O6"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KBaNdWO6
_chemical_formula_sum "K1 Ba1 Nd1 W1 O6"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... |
MoveTowardsAtomAction | 739054ac-4fe1-4f87-a960-f9236f524133 | mp-23977 | Move the atom at index 16 towards the atom at index 1 by 0.112 angstrom in the cif file. | data_image0
_chemical_formula_structural H4S28N4
_chemical_formula_sum "H4 S28 N4"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural H4S28N4
_chemical_formula_sum "H4 S28 N4"
_cell_length_a 8.12547
_cell_length_b 8.50035
_cell_length_c 13.873829
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... |
MoveTowardsAtomAction | 119a7dfa-427c-4130-9ce3-57d07bcd8ccd | mp-1212516 | Move the atom at index 8 towards the atom at index 34 by 2.683 angstrom in the cif file. | data_image0
_chemical_formula_structural H24C4S4N12O12
_chemical_formula_sum "H24 C4 S4 N12 O12"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_group_nam... | data_image0
_chemical_formula_structural H24C4S4N12O12
_chemical_formula_sum "H24 C4 S4 N12 O12"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_group_nam... |
MoveTowardsAtomAction | 0f5b4b4e-eb8c-42c3-a054-6f28332e3553 | mp-1233561 | Move the atom at index 3 towards the atom at index 8 by 1.239 angstrom in the cif file. | data_image0
_chemical_formula_structural MgCo4P8O28
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 6.83834011
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gamma 90.368... | data_image0
_chemical_formula_structural MgCo4P8O28
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 6.83834011
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gamma 90.368... |
MoveTowardsAtomAction | 1b31c732-a9b7-4349-b7bf-badb4de4d9b5 | mp-1371279 | Move the atom at index 2 towards the atom at index 9 by 1.809 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4Sn4O10
_chemical_formula_sum "Zn4 Sn4 O10"
_cell_length_a 3.306152
_cell_length_b 6.356792
_cell_length_c 12.05558
_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 Zn4Sn4O10
_chemical_formula_sum "Zn4 Sn4 O10"
_cell_length_a 3.306152
_cell_length_b 6.356792
_cell_length_c 12.05558
_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 | 13037158-4c4d-4761-9596-c7ee1d9becd2 | mp-1103256 | Move the atom at index 4 towards the atom at index 2 by 2.315 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | 0caf81b7-37bc-41ee-b319-acf2123788ec | mp-23702 | Move the atom at index 7 towards the atom at index 0 by 2.298 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4H8N4
_chemical_formula_sum "Li4 H8 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_g... | data_image0
_chemical_formula_structural Li4H8N4
_chemical_formula_sum "Li4 H8 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_g... |
MoveTowardsAtomAction | e37e037f-7588-4f40-abcb-eab75dcc52f3 | mp-1190979 | Move the atom at index 21 towards the atom at index 20 by 0.301 angstrom in the cif file. | data_image0
_chemical_formula_structural Sc16Ir8
_chemical_formula_sum "Sc16 Ir8"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Sc16Ir8
_chemical_formula_sum "Sc16 Ir8"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_spac... |
MoveTowardsAtomAction | ff8a627e-1991-4d36-8080-b75fba0b5e22 | mp-1032565 | Move the atom at index 1 towards the atom at index 12 by 0.592 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6ZnBiO8
_chemical_formula_sum "Mg6 Zn1 Bi1 O8"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_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 Mg6ZnBiO8
_chemical_formula_sum "Mg6 Zn1 Bi1 O8"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | e85df849-6428-43cc-afdf-6fe348f45d88 | mp-761075 | Move the atom at index 62 towards the atom at index 45 by 1.763 angstrom in the cif file. | data_image0
_chemical_formula_structural Ni4P16O44
_chemical_formula_sum "Ni4 P16 O44"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
_spac... | data_image0
_chemical_formula_structural Ni4P16O44
_chemical_formula_sum "Ni4 P16 O44"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
_spac... |
MoveTowardsAtomAction | e9ad44b8-7b03-4b53-b6c5-4eef27dce504 | mp-34195 | Move the atom at index 9 towards the atom at index 0 by 2.814 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2C2O6
_chemical_formula_sum "Ba2 C2 O6"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba2C2O6
_chemical_formula_sum "Ba2 C2 O6"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveTowardsAtomAction | 2a1e734e-5265-4bb2-9eda-28b78f30d4bd | mp-1235319 | Move the atom at index 2 towards the atom at index 11 by 0.202 angstrom in the cif file. | data_image0
_chemical_formula_structural LiSc4Fe4O12
_chemical_formula_sum "Li1 Sc4 Fe4 O12"
_cell_length_a 5.12678458
_cell_length_b 5.4436032
_cell_length_c 8.04653984
_cell_angle_alpha 90.16735254
_cell_angle_beta 91.99021394
_cell_angle_gamma 88.80830664000001
_space_... | data_image0
_chemical_formula_structural LiSc4Fe4O12
_chemical_formula_sum "Li1 Sc4 Fe4 O12"
_cell_length_a 5.12678458
_cell_length_b 5.4436032
_cell_length_c 8.04653984
_cell_angle_alpha 90.16735254
_cell_angle_beta 91.99021394
_cell_angle_gamma 88.80830664000001
_space_... |
MoveTowardsAtomAction | e0b2812e-6633-4e89-ae56-026b9fc9e062 | mp-1196015 | Move the atom at index 9 towards the atom at index 23 by 2.436 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs8P4Au4S16
_chemical_formula_sum "Cs8 P4 Au4 S16"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_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 Cs8P4Au4S16
_chemical_formula_sum "Cs8 P4 Au4 S16"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_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 | b04c7d75-7b37-400b-a898-fda930c0433d | mp-1112637 | Move the atom at index 4 towards the atom at index 0 by 0.958 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2TlCuF6
_chemical_formula_sum "Cs2 Tl1 Cu1 F6"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 6.35045246
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Cs2TlCuF6
_chemical_formula_sum "Cs2 Tl1 Cu1 F6"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 6.35045246
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... |
MoveTowardsAtomAction | 72bf8871-7536-48d3-a5b4-32cae482341e | mp-1209004 | Move the atom at index 16 towards the atom at index 2 by 1.916 angstrom in the cif file. | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se10
_chemical_formula_sum "Sc4 Tl2 Cu6 Se10"
_cell_length_a 7.44609395
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.97807307000002
_space_gro... | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se10
_chemical_formula_sum "Sc4 Tl2 Cu6 Se10"
_cell_length_a 7.44609395
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.97807307000002
_space_gro... |
MoveTowardsAtomAction | e22cf34b-8c5a-40fe-930c-5f0b189abcb2 | mp-758495 | Move the atom at index 19 towards the atom at index 21 by 2.437 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | e23367da-e9f6-4104-bba0-a4b6955e1c83 | mp-25273 | Move the atom at index 9 towards the atom at index 2 by 1.24 angstrom in the cif file. | data_image0
_chemical_formula_structural LiMo3O8
_chemical_formula_sum "Li1 Mo3 O8"
_cell_length_a 6.06688934
_cell_length_b 6.06688934
_cell_length_c 6.06688936
_cell_angle_alpha 61.23775104
_cell_angle_beta 61.23775104
_cell_angle_gamma 61.23774855
_space_group_name_H-M... | data_image0
_chemical_formula_structural LiMo3O8
_chemical_formula_sum "Li1 Mo3 O8"
_cell_length_a 6.06688934
_cell_length_b 6.06688934
_cell_length_c 6.06688936
_cell_angle_alpha 61.23775104
_cell_angle_beta 61.23775104
_cell_angle_gamma 61.23774855
_space_group_name_H-M... |
MoveTowardsAtomAction | 31976993-913d-4898-bfb5-3f9bd98c5d6d | mp-779625 | Move the atom at index 38 towards the atom at index 14 by 0.684 angstrom in the cif file. | data_image0
_chemical_formula_structural Li16Mn8P12O48
_chemical_formula_sum "Li16 Mn8 P12 O48"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 14.93486204
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li16Mn8P12O48
_chemical_formula_sum "Li16 Mn8 P12 O48"
_cell_length_a 8.888442
_cell_length_b 8.648767
_cell_length_c 14.93486204
_cell_angle_alpha 56.52907429
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 2adc8569-2554-4130-880b-16eb85a0c0c8 | mp-1519381 | Move the atom at index 3 towards the atom at index 5 by 2.765 angstrom in the cif file. | data_image0
_chemical_formula_structural SrCaPrSbO6
_chemical_formula_sum "Sr1 Ca1 Pr1 Sb1 O6"
_cell_length_a 5.88812195
_cell_length_b 5.88812195
_cell_length_c 5.88812195
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural SrCaPrSbO6
_chemical_formula_sum "Sr1 Ca1 Pr1 Sb1 O6"
_cell_length_a 5.88812195
_cell_length_b 5.88812195
_cell_length_c 5.88812195
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
MoveTowardsAtomAction | 07ac93ef-df3c-4b98-980e-92af245256b4 | mp-1199066 | Move the atom at index 34 towards the atom at index 5 by 1.999 angstrom in the cif file. | data_image0
_chemical_formula_structural Eu8B8O22F4
_chemical_formula_sum "Eu8 B8 O22 F4"
_cell_length_a 7.38493748
_cell_length_b 7.38493748
_cell_length_c 13.944672270000002
_cell_angle_alpha 89.11157898
_cell_angle_beta 89.11157898
_cell_angle_gamma 37.38706046
_space_... | data_image0
_chemical_formula_structural Eu8B8O22F4
_chemical_formula_sum "Eu8 B8 O22 F4"
_cell_length_a 7.38493748
_cell_length_b 7.38493748
_cell_length_c 13.944672270000002
_cell_angle_alpha 89.11157898
_cell_angle_beta 89.11157898
_cell_angle_gamma 37.38706046
_space_... |
MoveTowardsAtomAction | ea83d9ec-993b-453a-90e0-fa8a0d25a6e0 | mp-1078410 | Move the atom at index 5 towards the atom at index 0 by 0.218 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2ZnTeO6
_chemical_formula_sum "Ba2 Zn1 Te1 O6"
_cell_length_a 5.84283748
_cell_length_b 5.84283748
_cell_length_c 5.84283748
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Ba2ZnTeO6
_chemical_formula_sum "Ba2 Zn1 Te1 O6"
_cell_length_a 5.84283748
_cell_length_b 5.84283748
_cell_length_c 5.84283748
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveTowardsAtomAction | a3088e7c-c106-4e47-b7d9-24467c6020fa | mp-1193804 | Move the atom at index 21 towards the atom at index 7 by 2.507 angstrom in the cif file. | data_image0
_chemical_formula_structural Pr12Ga8Ni8
_chemical_formula_sum "Pr12 Ga8 Ni8"
_cell_length_a 5.809571
_cell_length_b 8.312716
_cell_length_c 12.825664
_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 Pr12Ga8Ni8
_chemical_formula_sum "Pr12 Ga8 Ni8"
_cell_length_a 5.809571
_cell_length_b 8.312716
_cell_length_c 12.825664
_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 | 986cb852-8822-433d-89c3-1bd029b4a4ae | mp-760489 | Move the atom at index 1 towards the atom at index 13 by 1.459 angstrom in the cif file. | data_image0
_chemical_formula_structural P2H12N2O4
_chemical_formula_sum "P2 H12 N2 O4"
_cell_length_a 6.94446242
_cell_length_b 6.94446242
_cell_length_c 4.049551
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.35006993
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural P2H12N2O4
_chemical_formula_sum "P2 H12 N2 O4"
_cell_length_a 6.94446242
_cell_length_b 6.94446242
_cell_length_c 4.049551
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.35006993
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 37595916-335d-4f15-8291-0a90159f936e | mp-25946 | Move the atom at index 23 towards the atom at index 16 by 0.804 angstrom in the cif file. | data_image0
_chemical_formula_structural Sb4P10O32
_chemical_formula_sum "Sb4 P10 O32"
_cell_length_a 10.443986
_cell_length_b 7.564572
_cell_length_c 10.70179358
_cell_angle_alpha 69.2391077
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb4P10O32
_chemical_formula_sum "Sb4 P10 O32"
_cell_length_a 10.443986
_cell_length_b 7.564572
_cell_length_c 10.70179358
_cell_angle_alpha 69.2391077
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 8af94218-3c57-440f-b0cb-75d88f4ee659 | mp-1027923 | Move the atom at index 4 towards the atom at index 12 by 2.603 angstrom in the cif file. | data_image0
_chemical_formula_structural SrMg14Zr
_chemical_formula_sum "Sr1 Mg14 Zr1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrMg14Zr
_chemical_formula_sum "Sr1 Mg14 Zr1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | 8da3b1d5-1403-4b20-a7af-bc446bb47329 | mp-759739 | Move the atom at index 2 towards the atom at index 13 by 2.361 angstrom in the cif file. | data_image0
_chemical_formula_structural V6O3F15
_chemical_formula_sum "V6 O3 F15"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural V6O3F15
_chemical_formula_sum "V6 O3 F15"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P 1"
_sp... |
MoveTowardsAtomAction | e5276bcb-146e-404f-aaeb-f0f872068b87 | mp-752621 | Move the atom at index 29 towards the atom at index 20 by 2.481 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Fe2B8O18
_chemical_formula_sum "Li6 Fe2 B8 O18"
_cell_length_a 8.715265
_cell_length_b 5.713325
_cell_length_c 6.78721015
_cell_angle_alpha 78.52081286
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li6Fe2B8O18
_chemical_formula_sum "Li6 Fe2 B8 O18"
_cell_length_a 8.715265
_cell_length_b 5.713325
_cell_length_c 6.78721015
_cell_angle_alpha 78.52081286
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 49e1b1b2-bfa1-492f-a997-a22ad83ec38f | mp-1235953 | Move the atom at index 12 towards the atom at index 3 by 1.2 angstrom in the cif file. | data_image0
_chemical_formula_structural K2LiNb2P2C2O14
_chemical_formula_sum "K2 Li1 Nb2 P2 C2 O14"
_cell_length_a 10.52196763
_cell_length_b 6.6069197299999995
_cell_length_c 5.28292177
_cell_angle_alpha 89.81845657000001
_cell_angle_beta 87.54113494000002
_cell_angle_gamma... | data_image0
_chemical_formula_structural K2LiNb2P2C2O14
_chemical_formula_sum "K2 Li1 Nb2 P2 C2 O14"
_cell_length_a 10.52196763
_cell_length_b 6.6069197299999995
_cell_length_c 5.28292177
_cell_angle_alpha 89.81845657000001
_cell_angle_beta 87.54113494000002
_cell_angle_gamma... |
MoveTowardsAtomAction | 22c70435-060d-4535-87d5-48ef612af541 | mp-1022061 | Move the atom at index 6 towards the atom at index 0 by 2.519 angstrom in the cif file. | data_image0
_chemical_formula_structural La2Mg12Ni2
_chemical_formula_sum "La2 Mg12 Ni2"
_cell_length_a 4.834803
_cell_length_b 6.266038
_cell_length_c 12.206856
_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 La2Mg12Ni2
_chemical_formula_sum "La2 Mg12 Ni2"
_cell_length_a 4.834803
_cell_length_b 6.266038
_cell_length_c 12.206856
_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 | 96e16332-fa72-4f7e-9846-927389fc2982 | mp-572465 | Move the atom at index 13 towards the atom at index 25 by 0.971 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 24f22f97-4545-4c6c-80d9-7d3fedcff54d | mp-531527 | Move the atom at index 32 towards the atom at index 16 by 1.186 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba3Ti20O40
_chemical_formula_sum "Ba3 Ti20 O40"
_cell_length_a 10.27568035
_cell_length_b 10.27568035
_cell_length_c 10.03228949
_cell_angle_alpha 61.29334600000001
_cell_angle_beta 61.29334600000001
_cell_angle_gamma 92.2357216
_s... | data_image0
_chemical_formula_structural Ba3Ti20O40
_chemical_formula_sum "Ba3 Ti20 O40"
_cell_length_a 10.27568035
_cell_length_b 10.27568035
_cell_length_c 10.03228949
_cell_angle_alpha 61.29334600000001
_cell_angle_beta 61.29334600000001
_cell_angle_gamma 92.2357216
_s... |
MoveTowardsAtomAction | f76e2f2b-7af6-48b6-bbc2-8154404c3c64 | mp-20268 | Move the atom at index 0 towards the atom at index 6 by 1.348 angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... |
MoveTowardsAtomAction | 5d3a8081-d39b-4526-b826-5e54560814db | mp-759863 | Move the atom at index 2 towards the atom at index 1 by 2.574 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4V2O6
_chemical_formula_sum "Na4 V2 O6"
_cell_length_a 5.40643848
_cell_length_b 5.40643157
_cell_length_c 5.690111259999999
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angle_gamma 58.75010621
_space_group_nam... | data_image0
_chemical_formula_structural Na4V2O6
_chemical_formula_sum "Na4 V2 O6"
_cell_length_a 5.40643848
_cell_length_b 5.40643157
_cell_length_c 5.690111259999999
_cell_angle_alpha 81.39473125
_cell_angle_beta 98.6053648
_cell_angle_gamma 58.75010621
_space_group_nam... |
MoveTowardsAtomAction | cd1803cf-7b65-4af8-b03d-af1e274ebca0 | mp-1212483 | Move the atom at index 16 towards the atom at index 4 by 2.64 angstrom in the cif file. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveTowardsAtomAction | 1410fd13-3de2-4a78-b883-237f116423dd | mp-1209474 | Move the atom at index 11 towards the atom at index 8 by 1.986 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Ni4Pb4
_chemical_formula_sum "Sm4 Ni4 Pb4"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space_group... | data_image0
_chemical_formula_structural Sm4Ni4Pb4
_chemical_formula_sum "Sm4 Ni4 Pb4"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space_group... |
MoveTowardsAtomAction | 5091810a-533e-47d2-a234-463bcc20684f | mp-1204342 | Move the atom at index 32 towards the atom at index 19 by 2.195 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
MoveTowardsAtomAction | 3a249132-d457-4f24-8734-d35f4c777a0a | mp-767632 | Move the atom at index 22 towards the atom at index 2 by 0.831 angstrom in the cif file. | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... |
MoveTowardsAtomAction | 4ac8141f-2fd5-4b24-a967-103234291a69 | mp-1174010 | Move the atom at index 7 towards the atom at index 4 by 2.814 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Mn2Co2O10
_chemical_formula_sum "Li6 Mn2 Co2 O10"
_cell_length_a 3.027597
_cell_length_b 5.081402820000001
_cell_length_c 12.403117880000002
_cell_angle_alpha 100.73363916
_cell_angle_beta 87.87144722
_cell_angle_gamma 103.019523... | data_image0
_chemical_formula_structural Li6Mn2Co2O10
_chemical_formula_sum "Li6 Mn2 Co2 O10"
_cell_length_a 3.027597
_cell_length_b 5.081402820000001
_cell_length_c 12.403117880000002
_cell_angle_alpha 100.73363916
_cell_angle_beta 87.87144722
_cell_angle_gamma 103.019523... |
MoveTowardsAtomAction | e73424c5-3b43-4ad8-b00d-264ace2834b6 | mp-568595 | Move the atom at index 11 towards the atom at index 10 by 0.475 angstrom in the cif file. | data_image0
_chemical_formula_structural Re8Si14
_chemical_formula_sum "Re8 Si14"
_cell_length_a 11.80895754
_cell_length_b 11.80895754
_cell_length_c 8.372270209999998
_cell_angle_alpha 87.41781667
_cell_angle_beta 87.41781667
_cell_angle_gamma 15.289560639999978
_space_... | data_image0
_chemical_formula_structural Re8Si14
_chemical_formula_sum "Re8 Si14"
_cell_length_a 11.80895754
_cell_length_b 11.80895754
_cell_length_c 8.372270209999998
_cell_angle_alpha 87.41781667
_cell_angle_beta 87.41781667
_cell_angle_gamma 15.289560639999978
_space_... |
MoveTowardsAtomAction | 654ec22d-deec-4ad1-b5bc-241243d49fa4 | mp-558681 | Move the atom at index 10 towards the atom at index 7 by 2.204 angstrom in the cif file. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_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 P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 814f0962-ad16-456b-a04b-be3097639fec | mp-1205760 | Move the atom at index 8 towards the atom at index 7 by 1.775 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2LuNbO6
_chemical_formula_sum "Sr2 Lu1 Nb1 O6"
_cell_length_a 5.89116681
_cell_length_b 5.89116681
_cell_length_c 5.89116681
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Sr2LuNbO6
_chemical_formula_sum "Sr2 Lu1 Nb1 O6"
_cell_length_a 5.89116681
_cell_length_b 5.89116681
_cell_length_c 5.89116681
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
MoveTowardsAtomAction | ff1fdbbe-2063-4cb3-89a8-34a6d626c9ec | mp-1190262 | Move the atom at index 10 towards the atom at index 9 by 2.985 angstrom in the cif file. | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 0f97dbf3-1643-46e5-87fe-db798540e9c0 | mp-1200769 | Move the atom at index 37 towards the atom at index 33 by 1.279 angstrom in the cif file. | data_image0
_chemical_formula_structural Yb3Ga24Cu12
_chemical_formula_sum "Yb3 Ga24 Cu12"
_cell_length_a 10.18707419
_cell_length_b 10.18707419
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta 129.68595507
_cell_angle_gamma 73.90931848
_space_gr... | data_image0
_chemical_formula_structural Yb3Ga24Cu12
_chemical_formula_sum "Yb3 Ga24 Cu12"
_cell_length_a 10.18707419
_cell_length_b 10.18707419
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta 129.68595507
_cell_angle_gamma 73.90931848
_space_gr... |
MoveTowardsAtomAction | bc8eae35-1aeb-42ec-a565-122a59854472 | mp-1211974 | Move the atom at index 11 towards the atom at index 5 by 2.013 angstrom in the cif file. | data_image0
_chemical_formula_structural InS2NO8
_chemical_formula_sum "In1 S2 N1 O8"
_cell_length_a 4.96153941
_cell_length_b 4.96153941
_cell_length_c 8.92500071
_cell_angle_alpha 73.86166951999999
_cell_angle_beta 73.86166951999999
_cell_angle_gamma 60.00000787
_space_... | data_image0
_chemical_formula_structural InS2NO8
_chemical_formula_sum "In1 S2 N1 O8"
_cell_length_a 4.96153941
_cell_length_b 4.96153941
_cell_length_c 8.92500071
_cell_angle_alpha 73.86166951999999
_cell_angle_beta 73.86166951999999
_cell_angle_gamma 60.00000787
_space_... |
MoveTowardsAtomAction | ab5647b7-7471-4dd9-b321-9b225baf33a7 | mp-1037998 | Move the atom at index 40 towards the atom at index 24 by 2.767 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg30AlCdO32
_chemical_formula_sum "Mg30 Al1 Cd1 O32"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mg30AlCdO32
_chemical_formula_sum "Mg30 Al1 Cd1 O32"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveTowardsAtomAction | a75ec0f5-df38-4d27-b531-2b7591c549c8 | mp-1202419 | Move the atom at index 22 towards the atom at index 29 by 2.21 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Re4C10N20O26
_chemical_formula_sum "Ca2 Re4 C10 N20 O26"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 15.08850013
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamma 94.1446102... | data_image0
_chemical_formula_structural Ca2Re4C10N20O26
_chemical_formula_sum "Ca2 Re4 C10 N20 O26"
_cell_length_a 8.758417
_cell_length_b 10.10223223
_cell_length_c 15.08850013
_cell_angle_alpha 105.45414396999999
_cell_angle_beta 89.65799284
_cell_angle_gamma 94.1446102... |
MoveTowardsAtomAction | c8ef59bd-72f0-46a6-8378-b7eccbf476ee | mp-2234075 | Move the atom at index 10 towards the atom at index 5 by 1.472 angstrom in the cif file. | data_image0
_chemical_formula_structural MgScNi2SbO6
_chemical_formula_sum "Mg1 Sc1 Ni2 Sb1 O6"
_cell_length_a 5.3578386
_cell_length_b 5.3553402
_cell_length_c 5.99123202
_cell_angle_alpha 63.50255283999999
_cell_angle_beta 63.50103803999999
_cell_angle_gamma 59.98045332
... | data_image0
_chemical_formula_structural MgScNi2SbO6
_chemical_formula_sum "Mg1 Sc1 Ni2 Sb1 O6"
_cell_length_a 5.3578386
_cell_length_b 5.3553402
_cell_length_c 5.99123202
_cell_angle_alpha 63.50255283999999
_cell_angle_beta 63.50103803999999
_cell_angle_gamma 59.98045332
... |
MoveTowardsAtomAction | 7733246a-97a2-4218-a8e5-48c5d879bc45 | mp-776226 | Move the atom at index 30 towards the atom at index 7 by 1.124 angstrom in the cif file. | data_image0
_chemical_formula_structural Hf16N16O8
_chemical_formula_sum "Hf16 N16 O8"
_cell_length_a 8.64803569
_cell_length_b 8.675023070000002
_cell_length_c 8.68143733
_cell_angle_alpha 109.54989756
_cell_angle_beta 109.52119125
_cell_angle_gamma 109.23362109
_space_g... | data_image0
_chemical_formula_structural Hf16N16O8
_chemical_formula_sum "Hf16 N16 O8"
_cell_length_a 8.64803569
_cell_length_b 8.675023070000002
_cell_length_c 8.68143733
_cell_angle_alpha 109.54989756
_cell_angle_beta 109.52119125
_cell_angle_gamma 109.23362109
_space_g... |
MoveTowardsAtomAction | 7924135a-43c5-4921-b7d7-b44025436981 | mp-2230889 | Move the atom at index 1 towards the atom at index 7 by 2.223 angstrom in the cif file. | data_image0
_chemical_formula_structural MgV5FeO12
_chemical_formula_sum "Mg1 V5 Fe1 O12"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_... | data_image0
_chemical_formula_structural MgV5FeO12
_chemical_formula_sum "Mg1 V5 Fe1 O12"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_... |
MoveTowardsAtomAction | fde6e105-8eb1-45c5-93a3-4a8a26fc7d44 | mp-1175749 | Move the atom at index 14 towards the atom at index 19 by 0.55 angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16547318... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16547318... |
MoveTowardsAtomAction | 6128513f-a994-4904-ba0d-06ab528e6223 | mp-758717 | Move the atom at index 21 towards the atom at index 25 by 1.257 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Co4C8O24
_chemical_formula_sum "Li2 Co4 C8 O24"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Co4C8O24
_chemical_formula_sum "Li2 Co4 C8 O24"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 9d29e939-bd93-40a4-8184-e6bdaae6e528 | mp-722910 | Move the atom at index 28 towards the atom at index 16 by 1.457 angstrom in the cif file. | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4B12H10N2O4
_chemical_formula_sum "K4 B12 H10 N2 O4"
_cell_length_a 9.0225729
_cell_length_b 9.0225729
_cell_length_c 8.219378
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.79420608
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | b632707b-d1f9-4584-aeae-1609ce201c57 | mp-1113451 | Move the atom at index 1 towards the atom at index 0 by 2.016 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2ScAgBr6
_chemical_formula_sum "Cs2 Sc1 Ag1 Br6"
_cell_length_a 7.8941599
_cell_length_b 7.8941599
_cell_length_c 7.8941599
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Cs2ScAgBr6
_chemical_formula_sum "Cs2 Sc1 Ag1 Br6"
_cell_length_a 7.8941599
_cell_length_b 7.8941599
_cell_length_c 7.8941599
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
MoveTowardsAtomAction | b72ec8d1-e0b9-490e-9e82-5ecfe6e615be | mp-12611 | Move the atom at index 7 towards the atom at index 2 by 1.369 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca3Ga8
_chemical_formula_sum "Ca3 Ga8"
_cell_length_a 4.26788338
_cell_length_b 4.29781021
_cell_length_c 13.10926426
_cell_angle_alpha 99.43465476
_cell_angle_beta 99.36835284000001
_cell_angle_gamma 90.00000172
_space_group_name_... | data_image0
_chemical_formula_structural Ca3Ga8
_chemical_formula_sum "Ca3 Ga8"
_cell_length_a 4.26788338
_cell_length_b 4.29781021
_cell_length_c 13.10926426
_cell_angle_alpha 99.43465476
_cell_angle_beta 99.36835284000001
_cell_angle_gamma 90.00000172
_space_group_name_... |
MoveTowardsAtomAction | 230c50e0-a82e-4068-b146-bcccd2e1769c | mp-768696 | Move the atom at index 15 towards the atom at index 25 by 2.057 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Cr6Fe2O16
_chemical_formula_sum "Li6 Cr6 Fe2 O16"
_cell_length_a 5.14531155
_cell_length_b 7.79461858
_cell_length_c 7.75117187
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_gamma 84.04967228
_spac... | data_image0
_chemical_formula_structural Li6Cr6Fe2O16
_chemical_formula_sum "Li6 Cr6 Fe2 O16"
_cell_length_a 5.14531155
_cell_length_b 7.79461858
_cell_length_c 7.75117187
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_gamma 84.04967228
_spac... |
MoveTowardsAtomAction | 996c31d7-2d00-40f2-9775-738c13c91c8c | mp-985591 | Move the atom at index 1 towards the atom at index 6 by 2.17 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6PS5Br
_chemical_formula_sum "Li6 P1 S5 Br1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... | data_image0
_chemical_formula_structural Li6PS5Br
_chemical_formula_sum "Li6 P1 S5 Br1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... |
MoveTowardsAtomAction | 6ae4b5a1-ad6f-48a3-9e97-55d67e9e03d0 | mp-766542 | Move the atom at index 24 towards the atom at index 3 by 0.359 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_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 Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_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 | 32f6319a-982e-4967-80d9-39b460c44d27 | mp-780315 | Move the atom at index 13 towards the atom at index 10 by 2.32 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cr2Fe3O10
_chemical_formula_sum "Li4 Cr2 Fe3 O10"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
_space... | data_image0
_chemical_formula_structural Li4Cr2Fe3O10
_chemical_formula_sum "Li4 Cr2 Fe3 O10"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
_space... |
MoveTowardsAtomAction | 7426b48f-a519-414a-b706-0baf61876e02 | mp-1245070 | Move the atom at index 32 towards the atom at index 97 by 0.155 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn50S50
_chemical_formula_sum "Zn50 S50"
_cell_length_a 13.63140563
_cell_length_b 14.017072280000002
_cell_length_c 12.744054180000001
_cell_angle_alpha 90.14536832
_cell_angle_beta 90.00963385
_cell_angle_gamma 89.63804257000001
... | data_image0
_chemical_formula_structural Zn50S50
_chemical_formula_sum "Zn50 S50"
_cell_length_a 13.63140563
_cell_length_b 14.017072280000002
_cell_length_c 12.744054180000001
_cell_angle_alpha 90.14536832
_cell_angle_beta 90.00963385
_cell_angle_gamma 89.63804257000001
... |
MoveTowardsAtomAction | 51b25bda-a5a7-4936-8824-ddf14f58b3e8 | mp-673174 | Move the atom at index 4 towards the atom at index 18 by 1.093 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... |
MoveTowardsAtomAction | 7ba1a7d0-88c0-478d-9baa-6c71e2ea3006 | mp-1203548 | Move the atom at index 5 towards the atom at index 22 by 0.877 angstrom in the cif file. | data_image0
_chemical_formula_structural Cd6Se8O24
_chemical_formula_sum "Cd6 Se8 O24"
_cell_length_a 9.535666
_cell_length_b 7.426734
_cell_length_c 9.487163359999998
_cell_angle_alpha 66.99712660999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd6Se8O24
_chemical_formula_sum "Cd6 Se8 O24"
_cell_length_a 9.535666
_cell_length_b 7.426734
_cell_length_c 9.487163359999998
_cell_angle_alpha 66.99712660999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveTowardsAtomAction | c3c28d91-2e78-42d3-94e5-30789ea65eac | mp-1247259 | Move the atom at index 0 towards the atom at index 12 by 2.092 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 5bfb0e06-d307-4c57-aec9-6f2c8c05b84d | mp-1209956 | Move the atom at index 9 towards the atom at index 8 by 2.83 angstrom in the cif file. | data_image0
_chemical_formula_structural NaTbPd6O8
_chemical_formula_sum "Na1 Tb1 Pd6 O8"
_cell_length_a 5.835133
_cell_length_b 5.835133
_cell_length_c 5.835133
_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 NaTbPd6O8
_chemical_formula_sum "Na1 Tb1 Pd6 O8"
_cell_length_a 5.835133
_cell_length_b 5.835133
_cell_length_c 5.835133
_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 | 3285900d-c70d-4978-b287-4224933746eb | mp-1204445 | Move the atom at index 4 towards the atom at index 18 by 0.695 angstrom in the cif file. | data_image0
_chemical_formula_structural Th2H4S6O24
_chemical_formula_sum "Th2 H4 S6 O24"
_cell_length_a 5.790092
_cell_length_b 9.23420924
_cell_length_c 9.80005057
_cell_angle_alpha 65.03082046000002
_cell_angle_beta 87.90115954
_cell_angle_gamma 89.00970674
_space_grou... | data_image0
_chemical_formula_structural Th2H4S6O24
_chemical_formula_sum "Th2 H4 S6 O24"
_cell_length_a 5.790092
_cell_length_b 9.23420924
_cell_length_c 9.80005057
_cell_angle_alpha 65.03082046000002
_cell_angle_beta 87.90115954
_cell_angle_gamma 89.00970674
_space_grou... |
MoveTowardsAtomAction | b92a079a-bd15-4681-800b-a5b124d16c0f | mp-755220 | Move the atom at index 13 towards the atom at index 14 by 0.853 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3CrNi3O8
_chemical_formula_sum "Li3 Cr1 Ni3 O8"
_cell_length_a 5.83594517
_cell_length_b 5.83594517
_cell_length_c 5.84957653
_cell_angle_alpha 60.50939455000001
_cell_angle_beta 60.50939455000001
_cell_angle_gamma 59.17975227
_s... | data_image0
_chemical_formula_structural Li3CrNi3O8
_chemical_formula_sum "Li3 Cr1 Ni3 O8"
_cell_length_a 5.83594517
_cell_length_b 5.83594517
_cell_length_c 5.84957653
_cell_angle_alpha 60.50939455000001
_cell_angle_beta 60.50939455000001
_cell_angle_gamma 59.17975227
_s... |
MoveTowardsAtomAction | 4dafccdf-6d9d-43b4-a1b5-787d236c5b29 | mp-28295 | Move the atom at index 8 towards the atom at index 0 by 1.8 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2I2O6
_chemical_formula_sum "Cs2 I2 O6"
_cell_length_a 4.66904371
_cell_length_b 6.601774169999999
_cell_length_c 6.61473721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.99353567
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2I2O6
_chemical_formula_sum "Cs2 I2 O6"
_cell_length_a 4.66904371
_cell_length_b 6.601774169999999
_cell_length_c 6.61473721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.99353567
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 847d7fcc-0a36-4eae-8024-f737bab19561 | mp-1200879 | Move the atom at index 22 towards the atom at index 2 by 0.332 angstrom in the cif file. | data_image0
_chemical_formula_structural Y6Ge26Pt8
_chemical_formula_sum "Y6 Ge26 Pt8"
_cell_length_a 9.10970153
_cell_length_b 9.10970153
_cell_length_c 9.17047569
_cell_angle_alpha 89.65004786
_cell_angle_beta 89.65004786
_cell_angle_gamma 89.92926009000001
_space_group... | data_image0
_chemical_formula_structural Y6Ge26Pt8
_chemical_formula_sum "Y6 Ge26 Pt8"
_cell_length_a 9.10970153
_cell_length_b 9.10970153
_cell_length_c 9.17047569
_cell_angle_alpha 89.65004786
_cell_angle_beta 89.65004786
_cell_angle_gamma 89.92926009000001
_space_group... |
MoveTowardsAtomAction | 9d84a7ba-1875-4694-b0d5-b69cf7fc5d60 | mp-1026800 | Move the atom at index 14 towards the atom at index 12 by 0.369 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14SiC
_chemical_formula_sum "Mg14 Si1 C1"
_cell_length_a 6.37468633
_cell_length_b 7.79018563
_cell_length_c 8.47410854
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.66366127
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mg14SiC
_chemical_formula_sum "Mg14 Si1 C1"
_cell_length_a 6.37468633
_cell_length_b 7.79018563
_cell_length_c 8.47410854
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.66366127
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | 31737bda-323b-4733-b52b-3922a8c37a02 | mp-756068 | Move the atom at index 23 towards the atom at index 15 by 2.931 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V4O4F12
_chemical_formula_sum "Li4 V4 O4 F12"
_cell_length_a 5.144357
_cell_length_b 6.033028
_cell_length_c 9.903223
_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 Li4V4O4F12
_chemical_formula_sum "Li4 V4 O4 F12"
_cell_length_a 5.144357
_cell_length_b 6.033028
_cell_length_c 9.903223
_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 | 2fcc8062-d664-46f4-b9c9-bd1298e77d44 | mp-600154 | Move the atom at index 1 towards the atom at index 20 by 0.56 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Cu2H16C8O24
_chemical_formula_sum "K4 Cu2 H16 C8 O24"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 11.41313892
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural K4Cu2H16C8O24
_chemical_formula_sum "K4 Cu2 H16 C8 O24"
_cell_length_a 14.876185
_cell_length_b 3.89234
_cell_length_c 11.41313892
_cell_angle_alpha 73.48774049999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
MoveTowardsAtomAction | d9d9877c-1b4e-457e-a38f-2b903ab5a310 | mp-1022597 | Move the atom at index 2 towards the atom at index 13 by 1.48 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mg12Zn2
_chemical_formula_sum "Li2 Mg12 Zn2"
_cell_length_a 5.039699
_cell_length_b 6.281844
_cell_length_c 10.75027
_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 Li2Mg12Zn2
_chemical_formula_sum "Li2 Mg12 Zn2"
_cell_length_a 5.039699
_cell_length_b 6.281844
_cell_length_c 10.75027
_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 | ca65992e-32ab-4da9-8555-371618e6a207 | mp-1180177 | Move the atom at index 18 towards the atom at index 12 by 2.354 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4N4Cl12
_chemical_formula_sum "Mn4 N4 Cl12"
_cell_length_a 6.64319472
_cell_length_b 6.64319472
_cell_length_c 9.495138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.34296178
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mn4N4Cl12
_chemical_formula_sum "Mn4 N4 Cl12"
_cell_length_a 6.64319472
_cell_length_b 6.64319472
_cell_length_c 9.495138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.34296178
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | e2d946ef-d807-4ac8-a1a4-24b055f4112e | mp-1175386 | Move the atom at index 21 towards the atom at index 22 by 2.445 angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.044997
_cell_length_b 6.58957371
_cell_length_c 8.8970701
_cell_angle_alpha 97.82224007
_cell_angle_beta 96.29207072000001
_cell_angle_gamma 97.54886918
_space_g... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.044997
_cell_length_b 6.58957371
_cell_length_c 8.8970701
_cell_angle_alpha 97.82224007
_cell_angle_beta 96.29207072000001
_cell_angle_gamma 97.54886918
_space_g... |
MoveTowardsAtomAction | c6ad63d2-66ed-419e-8861-4600bc11dead | mp-18973 | Move the atom at index 3 towards the atom at index 18 by 0.471 angstrom in the cif file. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... |
MoveTowardsAtomAction | 0ed98224-0080-47aa-b594-d2ebcd9cf774 | mp-1045114 | Move the atom at index 26 towards the atom at index 9 by 0.249 angstrom in the cif file. | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_g... | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_g... |
MoveTowardsAtomAction | 31a61388-03f6-438f-88bc-f472f6f535e3 | mp-28457 | Move the atom at index 18 towards the atom at index 5 by 1.215 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Ta15O32
_chemical_formula_sum "Ba2 Ta15 O32"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675881999... | data_image0
_chemical_formula_structural Ba2Ta15O32
_chemical_formula_sum "Ba2 Ta15 O32"
_cell_length_a 12.7109296
_cell_length_b 12.71092961
_cell_length_c 12.71092891
_cell_angle_alpha 35.78676115999999
_cell_angle_beta 35.786761150000004
_cell_angle_gamma 35.78675881999... |
MoveTowardsAtomAction | 96e265fd-242d-44de-989b-b231f5150b0c | mp-556103 | Move the atom at index 76 towards the atom at index 55 by 1.281 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs18Ga12F54
_chemical_formula_sum "Cs18 Ga12 F54"
_cell_length_a 11.11359783
_cell_length_b 11.11359783
_cell_length_c 15.215299
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs18Ga12F54
_chemical_formula_sum "Cs18 Ga12 F54"
_cell_length_a 11.11359783
_cell_length_b 11.11359783
_cell_length_c 15.215299
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | f23057f7-972a-43e7-8ab5-9bd6a5f32c93 | mp-560175 | Move the atom at index 32 towards the atom at index 19 by 2.322 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Th2Mo8O32
_chemical_formula_sum "Na8 Th2 Mo8 O32"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
_spac... | data_image0
_chemical_formula_structural Na8Th2Mo8O32
_chemical_formula_sum "Na8 Th2 Mo8 O32"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
_spac... |
MoveTowardsAtomAction | 610017f0-1892-400a-b344-cd9d43ff3425 | mp-756652 | Move the atom at index 10 towards the atom at index 12 by 2.23 angstrom in the cif file. | data_image0
_chemical_formula_structural Co4P4O16
_chemical_formula_sum "Co4 P4 O16"
_cell_length_a 5.737084
_cell_length_b 6.430618590000001
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
_space_gr... | data_image0
_chemical_formula_structural Co4P4O16
_chemical_formula_sum "Co4 P4 O16"
_cell_length_a 5.737084
_cell_length_b 6.430618590000001
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
_space_gr... |
MoveTowardsAtomAction | 9318d390-e776-4cb6-a08a-974c930af2a7 | mp-1046251 | Move the atom at index 4 towards the atom at index 22 by 2.248 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... |
MoveTowardsAtomAction | f13385c8-6ac3-4d24-9a6e-67f7f0de48be | mp-3855 | Move the atom at index 0 towards the atom at index 13 by 2.401 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Be4F16
_chemical_formula_sum "Na8 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na8Be4F16
_chemical_formula_sum "Na8 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | e10ef7f1-804a-4a36-b51f-4787916e6d0f | mp-1203399 | Move the atom at index 35 towards the atom at index 32 by 1.005 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm3Cd33
_chemical_formula_sum "Sm3 Cd33"
_cell_length_a 9.32185955
_cell_length_b 9.32186058
_cell_length_c 9.32186162
_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 Sm3Cd33
_chemical_formula_sum "Sm3 Cd33"
_cell_length_a 9.32185955
_cell_length_b 9.32186058
_cell_length_c 9.32186162
_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 | 9e92e7bb-5fce-4233-8805-40d8ee3282f6 | mp-1226097 | Move the atom at index 15 towards the atom at index 4 by 1.188 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr6Co2CuSe12
_chemical_formula_sum "Cr6 Co2 Cu1 Se12"
_cell_length_a 6.6299315
_cell_length_b 6.6299315
_cell_length_c 17.09676531
_cell_angle_alpha 78.33097976
_cell_angle_beta 78.33097976
_cell_angle_gamma 32.12505987
_space_grou... | data_image0
_chemical_formula_structural Cr6Co2CuSe12
_chemical_formula_sum "Cr6 Co2 Cu1 Se12"
_cell_length_a 6.6299315
_cell_length_b 6.6299315
_cell_length_c 17.09676531
_cell_angle_alpha 78.33097976
_cell_angle_beta 78.33097976
_cell_angle_gamma 32.12505987
_space_grou... |
MoveTowardsAtomAction | 60fba0f1-a724-4ebf-9fbe-b6dd8cc3ea93 | mp-694989 | Move the atom at index 11 towards the atom at index 7 by 2.168 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Nd10Fe12As12O12
_chemical_formula_sum "Sr2 Nd10 Fe12 As12 O12"
_cell_length_a 9.178751
_cell_length_b 10.1941072
_cell_length_c 11.60651037
_cell_angle_alpha 73.43616720999998
_cell_angle_beta 71.52431736
_cell_angle_gamma 68.786... | data_image0
_chemical_formula_structural Sr2Nd10Fe12As12O12
_chemical_formula_sum "Sr2 Nd10 Fe12 As12 O12"
_cell_length_a 9.178751
_cell_length_b 10.1941072
_cell_length_c 11.60651037
_cell_angle_alpha 73.43616720999998
_cell_angle_beta 71.52431736
_cell_angle_gamma 68.786... |
MoveTowardsAtomAction | c9e7833d-3bf6-4f3d-88af-36244abccb61 | mp-1102445 | Move the atom at index 4 towards the atom at index 3 by 0.743 angstrom in the cif file. | data_image0
_chemical_formula_structural Pr3Ni9
_chemical_formula_sum "Pr3 Ni9"
_cell_length_a 5.01960227
_cell_length_b 5.01960227
_cell_length_c 8.70414
_cell_angle_alpha 73.24105786
_cell_angle_beta 73.24105786
_cell_angle_gamma 59.999987250000004
_space_group_name_H-M... | data_image0
_chemical_formula_structural Pr3Ni9
_chemical_formula_sum "Pr3 Ni9"
_cell_length_a 5.01960227
_cell_length_b 5.01960227
_cell_length_c 8.70414
_cell_angle_alpha 73.24105786
_cell_angle_beta 73.24105786
_cell_angle_gamma 59.999987250000004
_space_group_name_H-M... |
MoveTowardsAtomAction | 931fbdec-326c-4ac5-99f2-1e1ae4c8bb37 | mp-559303 | Move the atom at index 22 towards the atom at index 42 by 0.915 angstrom in the cif file. | data_image0
_chemical_formula_structural Mo4S12N8Cl32
_chemical_formula_sum "Mo4 S12 N8 Cl32"
_cell_length_a 16.692566
_cell_length_b 7.676201
_cell_length_c 12.989569700000002
_cell_angle_alpha 66.63816147000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Mo4S12N8Cl32
_chemical_formula_sum "Mo4 S12 N8 Cl32"
_cell_length_a 16.692566
_cell_length_b 7.676201
_cell_length_c 12.989569700000002
_cell_angle_alpha 66.63816147000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
MoveTowardsAtomAction | 89af0be5-9c29-49eb-bcae-4e7dcc21142a | mp-752 | Move the atom at index 28 towards the atom at index 68 by 0.439 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn30Si52
_chemical_formula_sum "Mn30 Si52"
_cell_length_a 5.49601688
_cell_length_b 5.49601714
_cell_length_c 32.7908174
_cell_angle_alpha 94.80726195
_cell_angle_beta 94.80726148
_cell_angle_gamma 90.00000368
_space_group_name_H-M... | data_image0
_chemical_formula_structural Mn30Si52
_chemical_formula_sum "Mn30 Si52"
_cell_length_a 5.49601688
_cell_length_b 5.49601714
_cell_length_c 32.7908174
_cell_angle_alpha 94.80726195
_cell_angle_beta 94.80726148
_cell_angle_gamma 90.00000368
_space_group_name_H-M... |
MoveTowardsAtomAction | 84b91cd5-7644-4e3f-952b-7490be4d5272 | mp-13211 | Move the atom at index 6 towards the atom at index 9 by 0.857 angstrom in the cif file. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... |
MoveTowardsAtomAction | 060a043c-92d1-464f-af6c-6c27601b01f1 | mp-1246483 | Move the atom at index 5 towards the atom at index 10 by 2.481 angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Re2N8
_chemical_formula_sum "Li12 Re2 N8"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_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 Li12Re2N8
_chemical_formula_sum "Li12 Re2 N8"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_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 | dc6389bf-af63-4da3-b417-c6337e413a94 | mp-27148 | Move the atom at index 15 towards the atom at index 23 by 1.551 angstrom in the cif file. | data_image0
_chemical_formula_structural Be8P16
_chemical_formula_sum "Be8 P16"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... | data_image0
_chemical_formula_structural Be8P16
_chemical_formula_sum "Be8 P16"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... |
MoveTowardsAtomAction | ffd38214-6737-45d7-815b-3d97f49855b8 | mp-559136 | Move the atom at index 60 towards the atom at index 26 by 1.887 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4H32N8O40
_chemical_formula_sum "Ca4 H32 N8 O40"
_cell_length_a 9.08121717
_cell_length_b 6.04514035
_cell_length_c 14.66438184
_cell_angle_alpha 73.16406171
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca4H32N8O40
_chemical_formula_sum "Ca4 H32 N8 O40"
_cell_length_a 9.08121717
_cell_length_b 6.04514035
_cell_length_c 14.66438184
_cell_angle_alpha 73.16406171
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
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