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 | 0ba478ba-d254-4785-b72b-286814f161a0 | mp-1224477 | Move the atom at index 1 towards the atom at index 10 by 2.063 angstrom in the cif file. | data_image0
_chemical_formula_structural H11IN2O6
_chemical_formula_sum "H11 I1 N2 O6"
_cell_length_a 5.540447
_cell_length_b 5.54602506
_cell_length_c 5.55388201
_cell_angle_alpha 77.76500148
_cell_angle_beta 77.61327356
_cell_angle_gamma 77.87890795
_space_group_name_H-... | data_image0
_chemical_formula_structural H11IN2O6
_chemical_formula_sum "H11 I1 N2 O6"
_cell_length_a 5.540447
_cell_length_b 5.54602506
_cell_length_c 5.55388201
_cell_angle_alpha 77.76500148
_cell_angle_beta 77.61327356
_cell_angle_gamma 77.87890795
_space_group_name_H-... |
MoveTowardsAtomAction | 05edbfab-7c23-41dd-8960-f749482032ad | mp-1176707 | Move the atom at index 13 towards the atom at index 8 by 2.927 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Fe6F18
_chemical_formula_sum "Li6 Fe6 F18"
_cell_length_a 7.021042
_cell_length_b 7.236590739999999
_cell_length_c 7.87495474
_cell_angle_alpha 94.44735984
_cell_angle_beta 102.93816258
_cell_angle_gamma 90.0939888
_space_group_... | data_image0
_chemical_formula_structural Li6Fe6F18
_chemical_formula_sum "Li6 Fe6 F18"
_cell_length_a 7.021042
_cell_length_b 7.236590739999999
_cell_length_c 7.87495474
_cell_angle_alpha 94.44735984
_cell_angle_beta 102.93816258
_cell_angle_gamma 90.0939888
_space_group_... |
MoveTowardsAtomAction | 5d191e4b-1262-418b-a185-d7982936f967 | mp-29249 | Move the atom at index 21 towards the atom at index 1 by 2.651 angstrom in the cif file. | data_image0
_chemical_formula_structural Ge8As8Se8
_chemical_formula_sum "Ge8 As8 Se8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_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 Ge8As8Se8
_chemical_formula_sum "Ge8 As8 Se8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_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 | 0e89fa2d-efe7-41fe-b3ef-241ecf3119de | mp-1191092 | Move the atom at index 3 towards the atom at index 1 by 0.534 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Na2Cu6S10
_chemical_formula_sum "Ba4 Na2 Cu6 S10"
_cell_length_a 8.79624323
_cell_length_b 8.79624323
_cell_length_c 10.46906188
_cell_angle_alpha 81.91378841
_cell_angle_beta 81.91378841
_cell_angle_gamma 36.848718770000005
_sp... | data_image0
_chemical_formula_structural Ba4Na2Cu6S10
_chemical_formula_sum "Ba4 Na2 Cu6 S10"
_cell_length_a 8.79624323
_cell_length_b 8.79624323
_cell_length_c 10.46906188
_cell_angle_alpha 81.91378841
_cell_angle_beta 81.91378841
_cell_angle_gamma 36.848718770000005
_sp... |
MoveTowardsAtomAction | 35418a8a-eea2-4081-b0d8-7c9ae5cb12bb | mp-2240134 | Move the atom at index 7 towards the atom at index 2 by 1.855 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2NdMgNbO6
_chemical_formula_sum "Ba2 Nd1 Mg1 Nb1 O6"
_cell_length_a 6.12345268
_cell_length_b 6.41740526
_cell_length_c 6.38935047
_cell_angle_alpha 59.65450238999999
_cell_angle_beta 61.36734736999999
_cell_angle_gamma 61.5040091... | data_image0
_chemical_formula_structural Ba2NdMgNbO6
_chemical_formula_sum "Ba2 Nd1 Mg1 Nb1 O6"
_cell_length_a 6.12345268
_cell_length_b 6.41740526
_cell_length_c 6.38935047
_cell_angle_alpha 59.65450238999999
_cell_angle_beta 61.36734736999999
_cell_angle_gamma 61.5040091... |
MoveTowardsAtomAction | 9e2dff21-f4c6-4486-8ae1-7c3c0a8b5238 | mp-28535 | Move the atom at index 20 towards the atom at index 17 by 0.206 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Se6O16
_chemical_formula_sum "Ca4 Se6 O16"
_cell_length_a 5.52447697
_cell_length_b 8.23968812
_cell_length_c 8.72755108
_cell_angle_alpha 92.60643704000002
_cell_angle_beta 95.99909062
_cell_angle_gamma 97.21121254
_space_group... | data_image0
_chemical_formula_structural Ca4Se6O16
_chemical_formula_sum "Ca4 Se6 O16"
_cell_length_a 5.52447697
_cell_length_b 8.23968812
_cell_length_c 8.72755108
_cell_angle_alpha 92.60643704000002
_cell_angle_beta 95.99909062
_cell_angle_gamma 97.21121254
_space_group... |
MoveTowardsAtomAction | 6adadad0-6eef-4c2c-b6b3-b991e79764e6 | mp-755518 | Move the atom at index 8 towards the atom at index 14 by 1.738 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6O7F5
_chemical_formula_sum "Fe6 O7 F5"
_cell_length_a 5.650103
_cell_length_b 5.65500889
_cell_length_c 7.59812384
_cell_angle_alpha 69.71683941
_cell_angle_beta 69.82269299
_cell_angle_gamma 70.14977806
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Fe6O7F5
_chemical_formula_sum "Fe6 O7 F5"
_cell_length_a 5.650103
_cell_length_b 5.65500889
_cell_length_c 7.59812384
_cell_angle_alpha 69.71683941
_cell_angle_beta 69.82269299
_cell_angle_gamma 70.14977806
_space_group_name_H-M_al... |
MoveTowardsAtomAction | e6ad4252-50e1-4820-9a01-7c32af42f9b3 | mp-558545 | Move the atom at index 7 towards the atom at index 13 by 2.573 angstrom in the cif file. | data_image0
_chemical_formula_structural C8S4N12Cl12
_chemical_formula_sum "C8 S4 N12 Cl12"
_cell_length_a 7.765921
_cell_length_b 8.326056
_cell_length_c 12.57591833
_cell_angle_alpha 84.22908205
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural C8S4N12Cl12
_chemical_formula_sum "C8 S4 N12 Cl12"
_cell_length_a 7.765921
_cell_length_b 8.326056
_cell_length_c 12.57591833
_cell_angle_alpha 84.22908205
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | 3376274b-003b-40bf-9112-6ef1e92a54c9 | mp-1035350 | Move the atom at index 16 towards the atom at index 25 by 2.532 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14CuSnO16
_chemical_formula_sum "Mg14 Cu1 Sn1 O16"
_cell_length_a 8.72234034
_cell_length_b 8.63741416
_cell_length_c 4.30772331
_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 Mg14CuSnO16
_chemical_formula_sum "Mg14 Cu1 Sn1 O16"
_cell_length_a 8.72234034
_cell_length_b 8.63741416
_cell_length_c 4.30772331
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 286c8c85-33b4-4a2e-b9bd-801fff606da5 | mp-1212483 | Move the atom at index 34 towards the atom at index 35 by 0.613 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 | 23eb5c89-380d-43a0-9a1c-3d9e1baf706a | mp-1095479 | Move the atom at index 8 towards the atom at index 4 by 2.16 angstrom in the cif file. | data_image0
_chemical_formula_structural Gd4S8
_chemical_formula_sum "Gd4 S8"
_cell_length_a 3.95110384
_cell_length_b 7.91220526
_cell_length_c 7.95801151
_cell_angle_alpha 89.83513708
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Gd4S8
_chemical_formula_sum "Gd4 S8"
_cell_length_a 3.95110384
_cell_length_b 7.91220526
_cell_length_c 7.95801151
_cell_angle_alpha 89.83513708
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveTowardsAtomAction | 4bfdd22e-fe2a-4be6-baf7-91281cc3fec0 | mp-556179 | Move the atom at index 26 towards the atom at index 11 by 2.706 angstrom in the cif file. | data_image0
_chemical_formula_structural Pr6Si4S16Cl2
_chemical_formula_sum "Pr6 Si4 S16 Cl2"
_cell_length_a 8.8060558
_cell_length_b 8.8060558
_cell_length_c 11.051096659999999
_cell_angle_alpha 83.11777061
_cell_angle_beta 83.11777061
_cell_angle_gamma 52.13035657
_spac... | data_image0
_chemical_formula_structural Pr6Si4S16Cl2
_chemical_formula_sum "Pr6 Si4 S16 Cl2"
_cell_length_a 8.8060558
_cell_length_b 8.8060558
_cell_length_c 11.051096659999999
_cell_angle_alpha 83.11777061
_cell_angle_beta 83.11777061
_cell_angle_gamma 52.13035657
_spac... |
MoveTowardsAtomAction | 5f9c9143-abe0-4591-9348-96c1477e95a2 | mp-3276 | Move the atom at index 16 towards the atom at index 8 by 0.119 angstrom in the cif file. | data_image0
_chemical_formula_structural Nb8Cr4Si10
_chemical_formula_sum "Nb8 Cr4 Si10"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 9.38583208
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.54496795
_space_g... | data_image0
_chemical_formula_structural Nb8Cr4Si10
_chemical_formula_sum "Nb8 Cr4 Si10"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 9.38583208
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.54496795
_space_g... |
MoveTowardsAtomAction | 768f2d4b-0987-4537-8ce9-5c150061b368 | mp-1194957 | Move the atom at index 77 towards the atom at index 59 by 2.352 angstrom in the cif file. | data_image0
_chemical_formula_structural Hg4Te8Xe6O8F52
_chemical_formula_sum "Hg4 Te8 Xe6 O8 F52"
_cell_length_a 18.60583
_cell_length_b 9.419066
_cell_length_c 10.24656959
_cell_angle_alpha 57.63678503
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg4Te8Xe6O8F52
_chemical_formula_sum "Hg4 Te8 Xe6 O8 F52"
_cell_length_a 18.60583
_cell_length_b 9.419066
_cell_length_c 10.24656959
_cell_angle_alpha 57.63678503
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveTowardsAtomAction | 90790deb-8698-4350-80c8-dbfd1bc7aabb | mp-818536 | Move the atom at index 19 towards the atom at index 25 by 2.097 angstrom in the cif file. | data_image0
_chemical_formula_structural Ce2Cr4O20
_chemical_formula_sum "Ce2 Cr4 O20"
_cell_length_a 10.921874
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ce2Cr4O20
_chemical_formula_sum "Ce2 Cr4 O20"
_cell_length_a 10.921874
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 5f2ec010-e8e6-42c2-bdd9-d504591d8f51 | mp-1020592 | Move the atom at index 11 towards the atom at index 23 by 0.777 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Li4Si8N16O2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sr8Li4Si8N16O2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | 5ab706ae-d0c1-46fc-9877-f40d7b4f751f | mp-754378 | Move the atom at index 3 towards the atom at index 15 by 2.384 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 6.08297738
_cell_length_b 5.97776458
_cell_length_c 5.977791540000001
_cell_angle_alpha 90.21968224999999
_cell_angle_beta 60.204871139999995
_cell_angle_gamma 119.79534081
_... | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 6.08297738
_cell_length_b 5.97776458
_cell_length_c 5.977791540000001
_cell_angle_alpha 90.21968224999999
_cell_angle_beta 60.204871139999995
_cell_angle_gamma 119.79534081
_... |
MoveTowardsAtomAction | a17e3c4c-f4c8-40a8-8827-5e938fd2ed43 | mp-1031915 | Move the atom at index 12 towards the atom at index 9 by 0.531 angstrom in the cif file. | data_image0
_chemical_formula_structural YMg6CdO8
_chemical_formula_sum "Y1 Mg6 Cd1 O8"
_cell_length_a 9.0489033
_cell_length_b 4.51849834
_cell_length_c 4.51849834
_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 YMg6CdO8
_chemical_formula_sum "Y1 Mg6 Cd1 O8"
_cell_length_a 9.0489033
_cell_length_b 4.51849834
_cell_length_c 4.51849834
_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 | cc5c215b-c1ec-4a0a-9d79-eec2d71ea44c | mp-1518357 | Move the atom at index 0 towards the atom at index 7 by 1.621 angstrom in the cif file. | data_image0
_chemical_formula_structural Eu2HfNbO6
_chemical_formula_sum "Eu2 Hf1 Nb1 O6"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_space_gro... | data_image0
_chemical_formula_structural Eu2HfNbO6
_chemical_formula_sum "Eu2 Hf1 Nb1 O6"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_space_gro... |
MoveTowardsAtomAction | 7ea84a8a-41af-4db6-aeba-b1cd3bebd585 | mp-642735 | Move the atom at index 8 towards the atom at index 11 by 0.761 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 | 3832ddd1-ce3f-4b6d-b672-b57fa59fadcf | mp-1033791 | Move the atom at index 7 towards the atom at index 8 by 2.102 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14CrCO16
_chemical_formula_sum "Mg14 Cr1 C1 O16"
_cell_length_a 8.49212571
_cell_length_b 8.49212571
_cell_length_c 4.29664522
_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 Mg14CrCO16
_chemical_formula_sum "Mg14 Cr1 C1 O16"
_cell_length_a 8.49212571
_cell_length_b 8.49212571
_cell_length_c 4.29664522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | aa7216a9-3cb3-4152-bdc3-4a9a3b5336c4 | mp-1221478 | Move the atom at index 34 towards the atom at index 28 by 0.487 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Cd4Fe2P6O24
_chemical_formula_sum "Na4 Cd4 Fe2 P6 O24"
_cell_length_a 8.97639775
_cell_length_b 8.97639775
_cell_length_c 6.70029315
_cell_angle_alpha 72.96610006
_cell_angle_beta 72.96610006
_cell_angle_gamma 92.15005666
_space... | data_image0
_chemical_formula_structural Na4Cd4Fe2P6O24
_chemical_formula_sum "Na4 Cd4 Fe2 P6 O24"
_cell_length_a 8.97639775
_cell_length_b 8.97639775
_cell_length_c 6.70029315
_cell_angle_alpha 72.96610006
_cell_angle_beta 72.96610006
_cell_angle_gamma 92.15005666
_space... |
MoveTowardsAtomAction | 8d7846e6-3e55-4393-86f1-98568b661458 | mp-1179989 | Move the atom at index 27 towards the atom at index 24 by 1.183 angstrom in the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... |
MoveTowardsAtomAction | d39a067d-a742-426f-aabd-0ab39e7fa39b | mp-772024 | Move the atom at index 0 towards the atom at index 44 by 0.417 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba12La4Br36
_chemical_formula_sum "Ba12 La4 Br36"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba12La4Br36
_chemical_formula_sum "Ba12 La4 Br36"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 9c4e9695-185d-4510-893b-6af9ae187bed | mp-756284 | Move the atom at index 7 towards the atom at index 11 by 0.617 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... |
MoveTowardsAtomAction | 617e2fc9-521c-490b-ac05-13d4258630c3 | mp-1026876 | Move the atom at index 2 towards the atom at index 15 by 2.365 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14CdCu
_chemical_formula_sum "Mg14 Cd1 Cu1"
_cell_length_a 6.31425202
_cell_length_b 6.33200746
_cell_length_c 10.06235057
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.09306793000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Mg14CdCu
_chemical_formula_sum "Mg14 Cd1 Cu1"
_cell_length_a 6.31425202
_cell_length_b 6.33200746
_cell_length_c 10.06235057
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.09306793000002
_space_group_name_H-M_al... |
MoveTowardsAtomAction | 3f728a62-1a36-48e7-ab32-af5e5c92b28f | mp-1304002 | Move the atom at index 4 towards the atom at index 19 by 1.914 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... |
MoveTowardsAtomAction | 31f5dc74-1607-4874-88ad-4ae20ffb6929 | mp-1518832 | Move the atom at index 10 towards the atom at index 1 by 0.726 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Na4Pr4Nb4O24
_chemical_formula_sum "Ba4 Na4 Pr4 Nb4 O24"
_cell_length_a 8.63740882
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_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 Ba4Na4Pr4Nb4O24
_chemical_formula_sum "Ba4 Na4 Pr4 Nb4 O24"
_cell_length_a 8.63740882
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 93487aac-1a81-439e-a8b1-16e59defa623 | mp-1220988 | Move the atom at index 10 towards the atom at index 1 by 2.959 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Tl6S4
_chemical_formula_sum "Na2 Tl6 S4"
_cell_length_a 4.293416
_cell_length_b 7.308508
_cell_length_c 12.37711
_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 Na2Tl6S4
_chemical_formula_sum "Na2 Tl6 S4"
_cell_length_a 4.293416
_cell_length_b 7.308508
_cell_length_c 12.37711
_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 | 125beca8-a9dd-481d-8e64-2e39aa5383fb | mp-1028598 | Move the atom at index 9 towards the atom at index 3 by 2.991 angstrom in the cif file. | data_image0
_chemical_formula_structural Te6W4Se2
_chemical_formula_sum "Te6 W4 Se2"
_cell_length_a 3.49734781
_cell_length_b 3.49734781
_cell_length_c 39.674341
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999965
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Te6W4Se2
_chemical_formula_sum "Te6 W4 Se2"
_cell_length_a 3.49734781
_cell_length_b 3.49734781
_cell_length_c 39.674341
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999965
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 5503e6b2-3d61-4b37-813a-b771343016ac | mp-1319322 | Move the atom at index 0 towards the atom at index 23 by 0.211 angstrom in the cif file. | data_image0
_chemical_formula_structural Co6Te2O16
_chemical_formula_sum "Co6 Te2 O16"
_cell_length_a 5.90144483
_cell_length_b 6.06973568
_cell_length_c 10.66845073
_cell_angle_alpha 106.47630741
_cell_angle_beta 106.81744562
_cell_angle_gamma 59.1889205
_space_group_nam... | data_image0
_chemical_formula_structural Co6Te2O16
_chemical_formula_sum "Co6 Te2 O16"
_cell_length_a 5.90144483
_cell_length_b 6.06973568
_cell_length_c 10.66845073
_cell_angle_alpha 106.47630741
_cell_angle_beta 106.81744562
_cell_angle_gamma 59.1889205
_space_group_nam... |
MoveTowardsAtomAction | f7a53dda-2652-4c0e-b29e-20d70c256ea8 | mp-531566 | Move the atom at index 32 towards the atom at index 65 by 2.089 angstrom in the cif file. | data_image0
_chemical_formula_structural La16Mn14O48
_chemical_formula_sum "La16 Mn14 O48"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
_space... | data_image0
_chemical_formula_structural La16Mn14O48
_chemical_formula_sum "La16 Mn14 O48"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
_space... |
MoveTowardsAtomAction | 0ad8e5fc-2721-46ba-a0e6-89d89783c4c1 | mp-1211316 | Move the atom at index 17 towards the atom at index 10 by 1.711 angstrom in the cif file. | data_image0
_chemical_formula_structural K2V4Ag2O12
_chemical_formula_sum "K2 V4 Ag2 O12"
_cell_length_a 7.44997499
_cell_length_b 7.44997499
_cell_length_c 5.90457238
_cell_angle_alpha 79.77023346
_cell_angle_beta 79.77023346
_cell_angle_gamma 85.51389708
_space_group_na... | data_image0
_chemical_formula_structural K2V4Ag2O12
_chemical_formula_sum "K2 V4 Ag2 O12"
_cell_length_a 7.44997499
_cell_length_b 7.44997499
_cell_length_c 5.90457238
_cell_angle_alpha 79.77023346
_cell_angle_beta 79.77023346
_cell_angle_gamma 85.51389708
_space_group_na... |
MoveTowardsAtomAction | 7b6379f8-95be-4611-976c-ec0d4aa9a972 | mp-2229628 | Move the atom at index 12 towards the atom at index 9 by 1.64 angstrom in the cif file. | data_image0
_chemical_formula_structural MgCo4OF11
_chemical_formula_sum "Mg1 Co4 O1 F11"
_cell_length_a 7.35809105
_cell_length_b 5.22556949
_cell_length_c 5.55298967
_cell_angle_alpha 89.62041699
_cell_angle_beta 94.15737183
_cell_angle_gamma 89.9231588
_space_group_nam... | data_image0
_chemical_formula_structural MgCo4OF11
_chemical_formula_sum "Mg1 Co4 O1 F11"
_cell_length_a 7.35809105
_cell_length_b 5.22556949
_cell_length_c 5.55298967
_cell_angle_alpha 89.62041699
_cell_angle_beta 94.15737183
_cell_angle_gamma 89.9231588
_space_group_nam... |
MoveTowardsAtomAction | b7625453-b2a9-47cf-b68c-0a856795e7d9 | mp-19484 | Move the atom at index 24 towards the atom at index 7 by 2.738 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | d0b4a9f8-3b76-45d1-a143-299476b85ea2 | mp-1407867 | Move the atom at index 3 towards the atom at index 13 by 0.739 angstrom in the cif file. | data_image0
_chemical_formula_structural Y2Sn4O8
_chemical_formula_sum "Y2 Sn4 O8"
_cell_length_a 6.86205727
_cell_length_b 6.862057270000001
_cell_length_c 6.862057270000001
_cell_angle_alpha 126.91866520999997
_cell_angle_beta 126.91866521
_cell_angle_gamma 78.38341797
... | data_image0
_chemical_formula_structural Y2Sn4O8
_chemical_formula_sum "Y2 Sn4 O8"
_cell_length_a 6.86205727
_cell_length_b 6.862057270000001
_cell_length_c 6.862057270000001
_cell_angle_alpha 126.91866520999997
_cell_angle_beta 126.91866521
_cell_angle_gamma 78.38341797
... |
MoveTowardsAtomAction | e78041e0-bd73-4862-b71d-79222600d1ef | mp-1193265 | Move the atom at index 7 towards the atom at index 0 by 2.154 angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Sb4Se12
_chemical_formula_sum "Na12 Sb4 Se12"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_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 Na12Sb4Se12
_chemical_formula_sum "Na12 Sb4 Se12"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | bfe32722-24f8-470f-b075-911430516e76 | mp-1046251 | Move the atom at index 4 towards the atom at index 15 by 0.299 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 | 5c999fb4-1e78-4b56-bfc9-5bb237a55af3 | mp-849781 | Move the atom at index 10 towards the atom at index 2 by 0.473 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co4Si4O16
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 5.368105
_cell_length_b 7.887216
_cell_length_c 8.49714963
_cell_angle_alpha 74.9934809
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Co4Si4O16
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 5.368105
_cell_length_b 7.887216
_cell_length_c 8.49714963
_cell_angle_alpha 74.9934809
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | e9c81d96-b938-4028-b137-758b19f8a55b | mp-867658 | Move the atom at index 51 towards the atom at index 32 by 1.825 angstrom in the cif file. | data_image0
_chemical_formula_structural La14Mn13O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... | data_image0
_chemical_formula_structural La14Mn13O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... |
MoveTowardsAtomAction | 144d9a1d-e719-4b6a-9b52-0d4af0e6c3f4 | mp-1368020 | Move the atom at index 18 towards the atom at index 14 by 2.518 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Cu2W2O12
_chemical_formula_sum "Ca4 Cu2 W2 O12"
_cell_length_a 5.721609
_cell_length_b 5.509642
_cell_length_c 9.40067408
_cell_angle_alpha 54.37303537
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ca4Cu2W2O12
_chemical_formula_sum "Ca4 Cu2 W2 O12"
_cell_length_a 5.721609
_cell_length_b 5.509642
_cell_length_c 9.40067408
_cell_angle_alpha 54.37303537
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 2bc5e093-6624-4d31-ad84-c9d0ee024d4f | mp-1176929 | Move the atom at index 35 towards the atom at index 54 by 1.22 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 | 9fccd841-82e6-48e3-9db5-f3a63c8c8fe0 | mp-28301 | Move the atom at index 24 towards the atom at index 30 by 1.921 angstrom in the cif file. | data_image0
_chemical_formula_structural Os8Br32
_chemical_formula_sum "Os8 Br32"
_cell_length_a 6.38207203
_cell_length_b 12.59781404
_cell_length_c 14.89946369
_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 Os8Br32
_chemical_formula_sum "Os8 Br32"
_cell_length_a 6.38207203
_cell_length_b 12.59781404
_cell_length_c 14.89946369
_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 | 95ee213c-5852-4210-95a4-b88d46b4ca56 | mp-19440 | Move the atom at index 10 towards the atom at index 9 by 1.611 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V4O12
_chemical_formula_sum "Li4 V4 O12"
_cell_length_a 7.64851181
_cell_length_b 7.6485118100000005
_cell_length_c 5.79759828
_cell_angle_alpha 68.56626188
_cell_angle_beta 68.56626188
_cell_angle_gamma 83.53101445
_space_group... | data_image0
_chemical_formula_structural Li4V4O12
_chemical_formula_sum "Li4 V4 O12"
_cell_length_a 7.64851181
_cell_length_b 7.6485118100000005
_cell_length_c 5.79759828
_cell_angle_alpha 68.56626188
_cell_angle_beta 68.56626188
_cell_angle_gamma 83.53101445
_space_group... |
MoveTowardsAtomAction | 9d994da2-ccae-44de-9ca9-77c326cc925c | mp-30925 | Move the atom at index 7 towards the atom at index 2 by 2.293 angstrom in the cif file. | data_image0
_chemical_formula_structural LaN3O6
_chemical_formula_sum "La1 N3 O6"
_cell_length_a 6.23070719
_cell_length_b 6.23070719
_cell_length_c 6.23070647
_cell_angle_alpha 114.82629154999998
_cell_angle_beta 114.82629154999998
_cell_angle_gamma 114.82628240000001
_s... | data_image0
_chemical_formula_structural LaN3O6
_chemical_formula_sum "La1 N3 O6"
_cell_length_a 6.23070719
_cell_length_b 6.23070719
_cell_length_c 6.23070647
_cell_angle_alpha 114.82629154999998
_cell_angle_beta 114.82629154999998
_cell_angle_gamma 114.82628240000001
_s... |
MoveTowardsAtomAction | 68afb153-ddc9-4762-b706-8f678eda26c6 | mp-560603 | Move the atom at index 13 towards the atom at index 23 by 2.387 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Mg2Si10O24
_chemical_formula_sum "Na4 Mg2 Si10 O24"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Mg2Si10O24
_chemical_formula_sum "Na4 Mg2 Si10 O24"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | e0a00822-7a18-4aa2-ae04-79d393eb31d6 | mp-767219 | Move the atom at index 13 towards the atom at index 56 by 0.249 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ti8Mn2Co8O36
_chemical_formula_sum "Li8 Ti8 Mn2 Co8 O36"
_cell_length_a 2.88784
_cell_length_b 9.009081
_cell_length_c 24.670932
_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 Li8Ti8Mn2Co8O36
_chemical_formula_sum "Li8 Ti8 Mn2 Co8 O36"
_cell_length_a 2.88784
_cell_length_b 9.009081
_cell_length_c 24.670932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 3f50473b-0f45-4004-875e-1fd4126cd8f7 | mp-1112589 | Move the atom at index 8 towards the atom at index 6 by 1.762 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2HgPdF6
_chemical_formula_sum "Cs2 Hg1 Pd1 F6"
_cell_length_a 6.45417937
_cell_length_b 6.454179370000001
_cell_length_c 6.454179369999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Cs2HgPdF6
_chemical_formula_sum "Cs2 Hg1 Pd1 F6"
_cell_length_a 6.45417937
_cell_length_b 6.454179370000001
_cell_length_c 6.454179369999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveTowardsAtomAction | ea179a10-d1f1-44df-aaad-cb660620d1a9 | mp-1204890 | Move the atom at index 27 towards the atom at index 17 by 0.18 angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4N8O36
_chemical_formula_sum "Zr4 N8 O36"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space_group... | data_image0
_chemical_formula_structural Zr4N8O36
_chemical_formula_sum "Zr4 N8 O36"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space_group... |
MoveTowardsAtomAction | d96f6eff-3fa5-4483-affe-fcebde12736a | mp-1111032 | Move the atom at index 4 towards the atom at index 9 by 2.467 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2HgIrF6
_chemical_formula_sum "Rb2 Hg1 Ir1 F6"
_cell_length_a 6.86860193
_cell_length_b 6.8686019300000005
_cell_length_c 6.86860193
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... | data_image0
_chemical_formula_structural Rb2HgIrF6
_chemical_formula_sum "Rb2 Hg1 Ir1 F6"
_cell_length_a 6.86860193
_cell_length_b 6.8686019300000005
_cell_length_c 6.86860193
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
MoveTowardsAtomAction | 02c514c1-6e72-4e76-b356-7ebc96db0f94 | mp-1028424 | Move the atom at index 7 towards the atom at index 2 by 1.667 angstrom in the cif file. | data_image0
_chemical_formula_structural CsMg14Co
_chemical_formula_sum "Cs1 Mg14 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural CsMg14Co
_chemical_formula_sum "Cs1 Mg14 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | 8c54b95b-5e4a-435b-982a-0ec18851fdb6 | mp-2218964 | Move the atom at index 12 towards the atom at index 2 by 0.359 angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn3TeO8
_chemical_formula_sum "Mg1 Mn3 Te1 O8"
_cell_length_a 6.20133901
_cell_length_b 6.36047727
_cell_length_c 6.2012102
_cell_angle_alpha 59.88171875999999
_cell_angle_beta 58.58960310999999
_cell_angle_gamma 59.88253086999999... | data_image0
_chemical_formula_structural MgMn3TeO8
_chemical_formula_sum "Mg1 Mn3 Te1 O8"
_cell_length_a 6.20133901
_cell_length_b 6.36047727
_cell_length_c 6.2012102
_cell_angle_alpha 59.88171875999999
_cell_angle_beta 58.58960310999999
_cell_angle_gamma 59.88253086999999... |
MoveTowardsAtomAction | ffc16f8d-7cf9-4eb1-834a-50ce8f64aeb5 | mp-1173973 | Move the atom at index 7 towards the atom at index 6 by 0.859 angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Mn2CoO8
_chemical_formula_sum "Li5 Mn2 Co1 O8"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431964
_... | data_image0
_chemical_formula_structural Li5Mn2CoO8
_chemical_formula_sum "Li5 Mn2 Co1 O8"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431964
_... |
MoveTowardsAtomAction | 80f480ae-992b-484f-ac40-c893bbd9ceb0 | mp-850998 | Move the atom at index 6 towards the atom at index 31 by 1.17 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn6B6O18
_chemical_formula_sum "Li4 Mn6 B6 O18"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.55685340999999
_... | data_image0
_chemical_formula_structural Li4Mn6B6O18
_chemical_formula_sum "Li4 Mn6 B6 O18"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.55685340999999
_... |
MoveTowardsAtomAction | 1ea5d30f-1f28-44ad-a7d0-d46ba84a4344 | mp-1204232 | Move the atom at index 36 towards the atom at index 15 by 1.169 angstrom in the cif file. | data_image0
_chemical_formula_structural Na9U3Si4O20F2
_chemical_formula_sum "Na9 U3 Si4 O20 F2"
_cell_length_a 5.946702
_cell_length_b 7.4835360500000006
_cell_length_c 12.04553321
_cell_angle_alpha 89.95161405
_cell_angle_beta 84.72313458999999
_cell_angle_gamma 89.99330... | data_image0
_chemical_formula_structural Na9U3Si4O20F2
_chemical_formula_sum "Na9 U3 Si4 O20 F2"
_cell_length_a 5.946702
_cell_length_b 7.4835360500000006
_cell_length_c 12.04553321
_cell_angle_alpha 89.95161405
_cell_angle_beta 84.72313458999999
_cell_angle_gamma 89.99330... |
MoveTowardsAtomAction | 0a0338b6-e6df-460d-9396-dfc42424952a | mp-1196102 | Move the atom at index 34 towards the atom at index 6 by 0.118 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe2Ge6H8Pb2O20
_chemical_formula_sum "Fe2 Ge6 H8 Pb2 O20"
_cell_length_a 5.48014973
_cell_length_b 6.0174908
_cell_length_c 13.750376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.16266634000002
_space_group_na... | data_image0
_chemical_formula_structural Fe2Ge6H8Pb2O20
_chemical_formula_sum "Fe2 Ge6 H8 Pb2 O20"
_cell_length_a 5.48014973
_cell_length_b 6.0174908
_cell_length_c 13.750376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.16266634000002
_space_group_na... |
MoveTowardsAtomAction | a46fa215-9337-4c91-83f8-640649866cd9 | mp-29075 | Move the atom at index 26 towards the atom at index 18 by 1.959 angstrom in the cif file. | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... |
MoveTowardsAtomAction | 75f63be9-8cd7-4eeb-8e6b-98842ac1297f | mp-30437 | Move the atom at index 1 towards the atom at index 11 by 2.995 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Sn4Pd4
_chemical_formula_sum "Ca4 Sn4 Pd4"
_cell_length_a 4.63728853
_cell_length_b 7.35881275
_cell_length_c 7.98914883
_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 Ca4Sn4Pd4
_chemical_formula_sum "Ca4 Sn4 Pd4"
_cell_length_a 4.63728853
_cell_length_b 7.35881275
_cell_length_c 7.98914883
_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 | 91a9defe-67aa-4686-91e7-8b772abd200c | mp-1214585 | Move the atom at index 3 towards the atom at index 6 by 1.996 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 | ddd028ed-cb29-4071-8d5c-d6b04d930c2f | mp-1026451 | Move the atom at index 9 towards the atom at index 6 by 0.912 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14BW
_chemical_formula_sum "Mg14 B1 W1"
_cell_length_a 6.1799333
_cell_length_b 6.179932829999999
_cell_length_c 9.7499251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000250999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Mg14BW
_chemical_formula_sum "Mg14 B1 W1"
_cell_length_a 6.1799333
_cell_length_b 6.179932829999999
_cell_length_c 9.7499251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000250999999
_space_group_name_H-M_al... |
MoveTowardsAtomAction | 91762b89-d605-4824-b755-8f2711463e9c | mp-1522401 | Move the atom at index 8 towards the atom at index 3 by 0.451 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2GdWO6
_chemical_formula_sum "Sr2 Gd1 W1 O6"
_cell_length_a 5.98526548
_cell_length_b 5.98526548
_cell_length_c 5.98526548
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Sr2GdWO6
_chemical_formula_sum "Sr2 Gd1 W1 O6"
_cell_length_a 5.98526548
_cell_length_b 5.98526548
_cell_length_c 5.98526548
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveTowardsAtomAction | 64141295-8571-4662-bbdc-ef72b41e94ef | mp-554835 | Move the atom at index 19 towards the atom at index 24 by 1.33 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Zr4V4F28
_chemical_formula_sum "K4 Zr4 V4 F28"
_cell_length_a 6.615048
_cell_length_b 8.076241
_cell_length_c 11.349502
_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 K4Zr4V4F28
_chemical_formula_sum "K4 Zr4 V4 F28"
_cell_length_a 6.615048
_cell_length_b 8.076241
_cell_length_c 11.349502
_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 | 652ec83b-3b97-4c64-b7c4-79669fee0895 | mp-1220551 | Move the atom at index 16 towards the atom at index 21 by 2.641 angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4AgBi5O18
_chemical_formula_sum "Nb4 Ag1 Bi5 O18"
_cell_length_a 12.9369977
_cell_length_b 12.9369977
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle_gamma 155.1355268
_space_group... | data_image0
_chemical_formula_structural Nb4AgBi5O18
_chemical_formula_sum "Nb4 Ag1 Bi5 O18"
_cell_length_a 12.9369977
_cell_length_b 12.9369977
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle_gamma 155.1355268
_space_group... |
MoveTowardsAtomAction | f5cccb83-7e91-401e-8bf9-b175ab6def0e | mp-11465 | Move the atom at index 4 towards the atom at index 5 by 0.323 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg10Hg6
_chemical_formula_sum "Mg10 Hg6"
_cell_length_a 8.22667506
_cell_length_b 8.22667412
_cell_length_c 5.86925634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000375999998
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg10Hg6
_chemical_formula_sum "Mg10 Hg6"
_cell_length_a 8.22667506
_cell_length_b 8.22667412
_cell_length_c 5.86925634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000375999998
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | 13ac971c-01b7-4166-b98c-b4a7b9dc8ac3 | mp-1246013 | Move the atom at index 10 towards the atom at index 0 by 0.643 angstrom in the cif file. | data_image0
_chemical_formula_structural V2C3N6
_chemical_formula_sum "V2 C3 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V2C3N6
_chemical_formula_sum "V2 C3 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | f52c9476-6046-43ca-97ce-aeb61070040d | mp-560635 | Move the atom at index 18 towards the atom at index 5 by 1.164 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs8Mo4S16
_chemical_formula_sum "Cs8 Mo4 S16"
_cell_length_a 7.30251068
_cell_length_b 10.19212873
_cell_length_c 12.9339905
_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 Cs8Mo4S16
_chemical_formula_sum "Cs8 Mo4 S16"
_cell_length_a 7.30251068
_cell_length_b 10.19212873
_cell_length_c 12.9339905
_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 | 603bc3bf-b1cd-4d60-acd1-41de728fc331 | mp-697850 | Move the atom at index 46 towards the atom at index 29 by 1.133 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Cr4P16O48
_chemical_formula_sum "Li8 Cr4 P16 O48"
_cell_length_a 10.159209
_cell_length_b 9.40003
_cell_length_c 9.47136605
_cell_angle_alpha 88.12112881
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Cr4P16O48
_chemical_formula_sum "Li8 Cr4 P16 O48"
_cell_length_a 10.159209
_cell_length_b 9.40003
_cell_length_c 9.47136605
_cell_angle_alpha 88.12112881
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 1aee9ef8-a1d5-40f3-a5c3-e64b44b99948 | mp-756311 | Move the atom at index 27 towards the atom at index 12 by 1.675 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe4Sn4O16
_chemical_formula_sum "Li4 Fe4 Sn4 O16"
_cell_length_a 6.06921841
_cell_length_b 6.316308
_cell_length_c 8.747379999999998
_cell_angle_alpha 90.00000655
_cell_angle_beta 90.00000292
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Li4Fe4Sn4O16
_chemical_formula_sum "Li4 Fe4 Sn4 O16"
_cell_length_a 6.06921841
_cell_length_b 6.316308
_cell_length_c 8.747379999999998
_cell_angle_alpha 90.00000655
_cell_angle_beta 90.00000292
_cell_angle_gamma 90.0
_space_group_... |
MoveTowardsAtomAction | 27471065-6e60-4cc4-a366-6fe7542b23d3 | mp-1103771 | Move the atom at index 12 towards the atom at index 15 by 2.317 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Li4Mn2V4O16
_chemical_formula_sum "Ba2 Li4 Mn2 V4 O16"
_cell_length_a 5.35145904
_cell_length_b 9.1378704
_cell_length_c 9.12853731
_cell_angle_alpha 61.04528758000001
_cell_angle_beta 72.95561526
_cell_angle_gamma 73.00019055999... | data_image0
_chemical_formula_structural Ba2Li4Mn2V4O16
_chemical_formula_sum "Ba2 Li4 Mn2 V4 O16"
_cell_length_a 5.35145904
_cell_length_b 9.1378704
_cell_length_c 9.12853731
_cell_angle_alpha 61.04528758000001
_cell_angle_beta 72.95561526
_cell_angle_gamma 73.00019055999... |
MoveTowardsAtomAction | e56a4d72-44de-4d59-afa0-ccfd001af85d | mp-753244 | Move the atom at index 19 towards the atom at index 8 by 1.951 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mn4F18
_chemical_formula_sum "Li2 Mn4 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space_group... | data_image0
_chemical_formula_structural Li2Mn4F18
_chemical_formula_sum "Li2 Mn4 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space_group... |
MoveTowardsAtomAction | dd501195-b69c-4d1e-bdc5-eda36372262c | mp-1666930 | Move the atom at index 0 towards the atom at index 34 by 0.129 angstrom in the cif file. | data_image0
_chemical_formula_structural Li10Cr4Co6O20
_chemical_formula_sum "Li10 Cr4 Co6 O20"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma 70... | data_image0
_chemical_formula_structural Li10Cr4Co6O20
_chemical_formula_sum "Li10 Cr4 Co6 O20"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma 70... |
MoveTowardsAtomAction | 379b596a-bb54-4876-a4fe-26a37d901422 | mp-1228395 | Move the atom at index 25 towards the atom at index 8 by 0.69 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Sm3AlCu8O20
_chemical_formula_sum "Ba6 Sm3 Al1 Cu8 O20"
_cell_length_a 5.546785
_cell_length_b 8.674801310000001
_cell_length_c 12.67449835
_cell_angle_alpha 74.32509264
_cell_angle_beta 77.78694691
_cell_angle_gamma 73.28461105
... | data_image0
_chemical_formula_structural Ba6Sm3AlCu8O20
_chemical_formula_sum "Ba6 Sm3 Al1 Cu8 O20"
_cell_length_a 5.546785
_cell_length_b 8.674801310000001
_cell_length_c 12.67449835
_cell_angle_alpha 74.32509264
_cell_angle_beta 77.78694691
_cell_angle_gamma 73.28461105
... |
MoveTowardsAtomAction | 5eff96b0-0acf-439e-80a3-6df347b0db2e | mp-1247447 | Move the atom at index 9 towards the atom at index 2 by 2.358 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Sc3MnS8
_chemical_formula_sum "Mg2 Sc3 Mn1 S8"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_space_... | data_image0
_chemical_formula_structural Mg2Sc3MnS8
_chemical_formula_sum "Mg2 Sc3 Mn1 S8"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_space_... |
MoveTowardsAtomAction | 8a6e46f9-0ede-4101-8c72-fb6a933fc9f6 | mp-1176871 | Move the atom at index 64 towards the atom at index 65 by 1.563 angstrom in the cif file. | data_image0
_chemical_formula_structural Li14V6P16O58
_chemical_formula_sum "Li14 V6 P16 O58"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.94911286999999
... | data_image0
_chemical_formula_structural Li14V6P16O58
_chemical_formula_sum "Li14 V6 P16 O58"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.94911286999999
... |
MoveTowardsAtomAction | 6fb447f7-7738-43d3-b62d-56c19bfa5e66 | mp-572465 | Move the atom at index 3 towards the atom at index 2 by 1.895 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 | 75f64201-c7cc-44c8-b6fb-983e4016fade | mp-1233509 | Move the atom at index 2 towards the atom at index 5 by 2.784 angstrom in the cif file. | data_image0
_chemical_formula_structural CaSm4Tm4O12
_chemical_formula_sum "Ca1 Sm4 Tm4 O12"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural CaSm4Tm4O12
_chemical_formula_sum "Ca1 Sm4 Tm4 O12"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveTowardsAtomAction | aac1acbc-3952-4e9e-bcac-ed86c6e9e32c | mp-1209044 | Move the atom at index 8 towards the atom at index 5 by 0.96 angstrom in the cif file. | data_image0
_chemical_formula_structural Sc20Sb12
_chemical_formula_sum "Sc20 Sb12"
_cell_length_a 7.61616863
_cell_length_b 8.76414466
_cell_length_c 11.17943473
_cell_angle_alpha 90.0
_cell_angle_beta 90.00107002
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sc20Sb12
_chemical_formula_sum "Sc20 Sb12"
_cell_length_a 7.61616863
_cell_length_b 8.76414466
_cell_length_c 11.17943473
_cell_angle_alpha 90.0
_cell_angle_beta 90.00107002
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 0b8f7f14-2f7d-4c07-b56e-9f525cd17255 | mp-13602 | Move the atom at index 51 towards the atom at index 27 by 0.426 angstrom in the cif file. | data_image0
_chemical_formula_structural Cd12As8O32
_chemical_formula_sum "Cd12 As8 O32"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd12As8O32
_chemical_formula_sum "Cd12 As8 O32"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveTowardsAtomAction | e633c47d-6b19-4b36-be39-755a256d6431 | mp-1076627 | Move the atom at index 31 towards the atom at index 32 by 0.449 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Ti4Mn4O20
_chemical_formula_sum "Sr8 Ti4 Mn4 O20"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.36900562
_space_... | data_image0
_chemical_formula_structural Sr8Ti4Mn4O20
_chemical_formula_sum "Sr8 Ti4 Mn4 O20"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.36900562
_space_... |
MoveTowardsAtomAction | 657dfab2-c1a2-4817-89ef-3d222475de00 | mp-1173893 | Move the atom at index 0 towards the atom at index 1 by 2.059 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 2.920526
_cell_length_b 6.60737649
_cell_length_c 7.89451648
_cell_angle_alpha 88.82980695
_cell_angle_beta 100.65433203
_cell_angle_gamma 77.23435797
_space_group_n... | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 2.920526
_cell_length_b 6.60737649
_cell_length_c 7.89451648
_cell_angle_alpha 88.82980695
_cell_angle_beta 100.65433203
_cell_angle_gamma 77.23435797
_space_group_n... |
MoveTowardsAtomAction | 4d5b110b-b460-41b0-bc6d-dc95d0fe7227 | mp-559163 | Move the atom at index 1 towards the atom at index 14 by 0.581 angstrom in the cif file. | data_image0
_chemical_formula_structural K4Fe4As8O28
_chemical_formula_sum "K4 Fe4 As8 O28"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space_gro... | data_image0
_chemical_formula_structural K4Fe4As8O28
_chemical_formula_sum "K4 Fe4 As8 O28"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space_gro... |
MoveTowardsAtomAction | 6b1d5fe5-86c8-4e07-b1ff-ffe7f692782c | mp-1233561 | Move the atom at index 24 towards the atom at index 39 by 0.505 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 | 53fc86ff-1b69-402f-ba16-8eb6a5e135c2 | mp-27309 | Move the atom at index 0 towards the atom at index 37 by 0.161 angstrom in the cif file. | data_image0
_chemical_formula_structural V8F40
_chemical_formula_sum "V8 F40"
_cell_length_a 5.39836063
_cell_length_b 7.402808
_cell_length_c 16.08718786
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural V8F40
_chemical_formula_sum "V8 F40"
_cell_length_a 5.39836063
_cell_length_b 7.402808
_cell_length_c 16.08718786
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... |
MoveTowardsAtomAction | 7ca766f8-113f-4fbc-8e2f-d776b9aaaad2 | mp-690556 | Move the atom at index 4 towards the atom at index 14 by 0.433 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2La2Mn2Ru2O12
_chemical_formula_sum "Ca2 La2 Mn2 Ru2 O12"
_cell_length_a 5.716248
_cell_length_b 5.559046
_cell_length_c 9.66349457
_cell_angle_alpha 55.05739802000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Ca2La2Mn2Ru2O12
_chemical_formula_sum "Ca2 La2 Mn2 Ru2 O12"
_cell_length_a 5.716248
_cell_length_b 5.559046
_cell_length_c 9.66349457
_cell_angle_alpha 55.05739802000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
MoveTowardsAtomAction | dba18f84-9746-432f-89e8-9a8814a1e258 | mp-1029550 | Move the atom at index 11 towards the atom at index 5 by 2.252 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Cr4N12
_chemical_formula_sum "Ca8 Cr4 N12"
_cell_length_a 5.88679425
_cell_length_b 5.88679425
_cell_length_c 11.61366427
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 124.75774528
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca8Cr4N12
_chemical_formula_sum "Ca8 Cr4 N12"
_cell_length_a 5.88679425
_cell_length_b 5.88679425
_cell_length_c 11.61366427
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 124.75774528
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | 80f451bb-9ebd-4d44-bdb1-e6f6aaecb2c9 | mp-1040209 | Move the atom at index 48 towards the atom at index 58 by 0.274 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 | 9e16ec70-f8a2-4d57-a698-f395efa1ea24 | mp-1228355 | Move the atom at index 7 towards the atom at index 30 by 2.771 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Sn2Ge4S16Br4
_chemical_formula_sum "Ba8 Sn2 Ge4 S16 Br4"
_cell_length_a 9.107169
_cell_length_b 9.29278
_cell_length_c 12.108653
_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 Ba8Sn2Ge4S16Br4
_chemical_formula_sum "Ba8 Sn2 Ge4 S16 Br4"
_cell_length_a 9.107169
_cell_length_b 9.29278
_cell_length_c 12.108653
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | a63c35e1-0dff-4eab-ba20-c6c159b5c194 | mp-850934 | Move the atom at index 5 towards the atom at index 14 by 1.143 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6O11F
_chemical_formula_sum "Fe6 O11 F1"
_cell_length_a 4.633818
_cell_length_b 5.50847985
_cell_length_c 7.55472791
_cell_angle_alpha 84.91090458999999
_cell_angle_beta 89.07644466999999
_cell_angle_gamma 88.78384201
_space_grou... | data_image0
_chemical_formula_structural Fe6O11F
_chemical_formula_sum "Fe6 O11 F1"
_cell_length_a 4.633818
_cell_length_b 5.50847985
_cell_length_c 7.55472791
_cell_angle_alpha 84.91090458999999
_cell_angle_beta 89.07644466999999
_cell_angle_gamma 88.78384201
_space_grou... |
MoveTowardsAtomAction | 2f51f5f1-d45c-40f4-8185-35178e264989 | mp-26228 | Move the atom at index 25 towards the atom at index 18 by 1.785 angstrom in the cif file. | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... |
MoveTowardsAtomAction | 3e3c2112-57cd-41bf-b4a5-6b63263017f5 | mp-568136 | Move the atom at index 16 towards the atom at index 6 by 0.581 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... |
MoveTowardsAtomAction | 773fbfe3-6717-40c8-8965-a3e057e48135 | mp-1193101 | Move the atom at index 26 towards the atom at index 2 by 1.901 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6Mn6O18
_chemical_formula_sum "Sr6 Mn6 O18"
_cell_length_a 5.42140775
_cell_length_b 5.42140784
_cell_length_c 13.37753335
_cell_angle_alpha 89.99999897
_cell_angle_beta 90.0000015
_cell_angle_gamma 119.99995005
_space_group_name... | data_image0
_chemical_formula_structural Sr6Mn6O18
_chemical_formula_sum "Sr6 Mn6 O18"
_cell_length_a 5.42140775
_cell_length_b 5.42140784
_cell_length_c 13.37753335
_cell_angle_alpha 89.99999897
_cell_angle_beta 90.0000015
_cell_angle_gamma 119.99995005
_space_group_name... |
MoveTowardsAtomAction | d8eb5a7b-957f-428f-8ad3-1b3e468e2072 | mp-755554 | Move the atom at index 5 towards the atom at index 4 by 1.786 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 4.58985747
_cell_length_b 5.536503
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 4.58985747
_cell_length_b 5.536503
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | 6d07b17f-2edf-431e-8312-ece7a53b3388 | mp-754851 | Move the atom at index 8 towards the atom at index 31 by 0.85 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co4Sn4O16
_chemical_formula_sum "Li8 Co4 Sn4 O16"
_cell_length_a 5.96131296
_cell_length_b 8.06893522
_cell_length_c 8.06876536
_cell_angle_alpha 111.35697518
_cell_angle_beta 68.32025619
_cell_angle_gamma 111.68295944000002
_sp... | data_image0
_chemical_formula_structural Li8Co4Sn4O16
_chemical_formula_sum "Li8 Co4 Sn4 O16"
_cell_length_a 5.96131296
_cell_length_b 8.06893522
_cell_length_c 8.06876536
_cell_angle_alpha 111.35697518
_cell_angle_beta 68.32025619
_cell_angle_gamma 111.68295944000002
_sp... |
MoveTowardsAtomAction | 7589f31b-8457-43b4-bd21-601d9b67275f | mp-558289 | Move the atom at index 24 towards the atom at index 22 by 2.054 angstrom in the cif file. | data_image0
_chemical_formula_structural U4Ag8Se8O32
_chemical_formula_sum "U4 Ag8 Se8 O32"
_cell_length_a 6.633157
_cell_length_b 5.998611
_cell_length_c 21.68985918
_cell_angle_alpha 80.49377908
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U4Ag8Se8O32
_chemical_formula_sum "U4 Ag8 Se8 O32"
_cell_length_a 6.633157
_cell_length_b 5.998611
_cell_length_c 21.68985918
_cell_angle_alpha 80.49377908
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | cec1ed48-18bb-4547-b8d7-95898531b18a | mp-705637 | Move the atom at index 67 towards the atom at index 17 by 0.5 angstrom in the cif file. | data_image0
_chemical_formula_structural Ni16P16O64
_chemical_formula_sum "Ni16 P16 O64"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_space_group_... | data_image0
_chemical_formula_structural Ni16P16O64
_chemical_formula_sum "Ni16 P16 O64"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_space_group_... |
MoveTowardsAtomAction | 1c0bd952-d441-433f-9a43-430530e12124 | mp-1191086 | Move the atom at index 7 towards the atom at index 17 by 0.542 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... |
MoveTowardsAtomAction | 262a2773-56db-4990-8baf-e8e133c5065b | mp-30385 | Move the atom at index 0 towards the atom at index 11 by 1.505 angstrom in the cif file. | data_image0
_chemical_formula_structural Ho8Au4
_chemical_formula_sum "Ho8 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ho8Au4
_chemical_formula_sum "Ho8 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | ebb52f1d-cc6d-4586-ab07-007bc22c0edb | mp-735027 | Move the atom at index 46 towards the atom at index 7 by 0.408 angstrom in the cif file. | data_image0
_chemical_formula_structural V4S8N4O36
_chemical_formula_sum "V4 S8 N4 O36"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_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 V4S8N4O36
_chemical_formula_sum "V4 S8 N4 O36"
_cell_length_a 5.053564
_cell_length_b 9.157803
_cell_length_c 17.42972
_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 | 18b3aff8-6086-45d7-b655-fbc1bd376f45 | mp-1239253 | Move the atom at index 13 towards the atom at index 8 by 2.806 angstrom in the cif file. | data_image0
_chemical_formula_structural NbCr3Ag2S8
_chemical_formula_sum "Nb1 Cr3 Ag2 S8"
_cell_length_a 7.21965027
_cell_length_b 7.21965027
_cell_length_c 7.28202321
_cell_angle_alpha 60.76293235000001
_cell_angle_beta 60.76293234999999
_cell_angle_gamma 60.876866499999... | data_image0
_chemical_formula_structural NbCr3Ag2S8
_chemical_formula_sum "Nb1 Cr3 Ag2 S8"
_cell_length_a 7.21965027
_cell_length_b 7.21965027
_cell_length_c 7.28202321
_cell_angle_alpha 60.76293235000001
_cell_angle_beta 60.76293234999999
_cell_angle_gamma 60.876866499999... |
MoveTowardsAtomAction | 0f77e774-b5fb-4a7d-8c43-bd7808535bc5 | mp-776267 | Move the atom at index 14 towards the atom at index 0 by 2.002 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O16"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.00148019000001
... | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O16"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.00148019000001
... |
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