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 | 11312257-5292-4384-9ad0-b10b945fe7e7 | mp-1043670 | Move the atom at index 8 towards the atom at index 11 by 1.153 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn2Ni8O12
_chemical_formula_sum "Zn2 Ni8 O12"
_cell_length_a 5.09046752
_cell_length_b 5.09046752
_cell_length_c 14.89922
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74064449
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zn2Ni8O12
_chemical_formula_sum "Zn2 Ni8 O12"
_cell_length_a 5.09046752
_cell_length_b 5.09046752
_cell_length_c 14.89922
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74064449
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | 9ff16303-030d-4ad8-b9fc-070c78a380ae | mp-704879 | Move the atom at index 16 towards the atom at index 12 by 0.578 angstrom in the cif file. | data_image0
_chemical_formula_structural Ni10Te8Br4O24
_chemical_formula_sum "Ni10 Te8 Br4 O24"
_cell_length_a 10.571472
_cell_length_b 10.571471999999998
_cell_length_c 16.45824874
_cell_angle_alpha 56.37224867999999
_cell_angle_beta 56.37224868
_cell_angle_gamma 29.10422... | data_image0
_chemical_formula_structural Ni10Te8Br4O24
_chemical_formula_sum "Ni10 Te8 Br4 O24"
_cell_length_a 10.571472
_cell_length_b 10.571471999999998
_cell_length_c 16.45824874
_cell_angle_alpha 56.37224867999999
_cell_angle_beta 56.37224868
_cell_angle_gamma 29.10422... |
MoveTowardsAtomAction | ed9f9f2c-b2ae-49b2-bfda-e96b20eecf65 | mp-19512 | Move the atom at index 30 towards the atom at index 28 by 1.577 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4V8P8O40
_chemical_formula_sum "Ba4 V8 P8 O40"
_cell_length_a 9.350869
_cell_length_b 5.296802
_cell_length_c 16.5859852
_cell_angle_alpha 87.26925142
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ba4V8P8O40
_chemical_formula_sum "Ba4 V8 P8 O40"
_cell_length_a 9.350869
_cell_length_b 5.296802
_cell_length_c 16.5859852
_cell_angle_alpha 87.26925142
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | 4ef929d8-76fc-49c7-867c-f5188e2c51fe | mp-7199 | Move the atom at index 10 towards the atom at index 4 by 2.342 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Pr2Te8
_chemical_formula_sum "Rb2 Pr2 Te8"
_cell_length_a 7.0061598
_cell_length_b 7.0061598
_cell_length_c 9.23461387
_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 Rb2Pr2Te8
_chemical_formula_sum "Rb2 Pr2 Te8"
_cell_length_a 7.0061598
_cell_length_b 7.0061598
_cell_length_c 9.23461387
_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 | e48df0c1-4bee-44d9-8003-f6fa92c9051b | mp-10339 | Move the atom at index 7 towards the atom at index 6 by 0.775 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Nb4O12
_chemical_formula_sum "Sr4 Nb4 O12"
_cell_length_a 5.72665767
_cell_length_b 5.73016776
_cell_length_c 8.13508265
_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 Sr4Nb4O12
_chemical_formula_sum "Sr4 Nb4 O12"
_cell_length_a 5.72665767
_cell_length_b 5.73016776
_cell_length_c 8.13508265
_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 | a3f11551-30c0-4179-bd4b-15315fb96b8f | mp-1247690 | Move the atom at index 39 towards the atom at index 23 by 1.466 angstrom in the cif file. | data_image0
_chemical_formula_structural SrCa7Mn8O24
_chemical_formula_sum "Sr1 Ca7 Mn8 O24"
_cell_length_a 7.618931
_cell_length_b 7.618931
_cell_length_c 7.618931
_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 SrCa7Mn8O24
_chemical_formula_sum "Sr1 Ca7 Mn8 O24"
_cell_length_a 7.618931
_cell_length_b 7.618931
_cell_length_c 7.618931
_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 | c2c4d6c3-8906-459c-9e52-17cee0eb3966 | mp-1194089 | Move the atom at index 20 towards the atom at index 8 by 0.362 angstrom in the cif file. | data_image0
_chemical_formula_structural CaMn28
_chemical_formula_sum "Ca1 Mn28"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural CaMn28
_chemical_formula_sum "Ca1 Mn28"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_H-M_al... |
MoveTowardsAtomAction | 3adbc2da-306b-489d-b76d-c7cee8a20bea | mp-18051 | Move the atom at index 24 towards the atom at index 2 by 0.642 angstrom in the cif file. | data_image0
_chemical_formula_structural La8Ti4O20
_chemical_formula_sum "La8 Ti4 O20"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_group_nam... | data_image0
_chemical_formula_structural La8Ti4O20
_chemical_formula_sum "La8 Ti4 O20"
_cell_length_a 3.92346982
_cell_length_b 11.01649247
_cell_length_c 11.44093194
_cell_angle_alpha 90.00169505
_cell_angle_beta 89.99997463
_cell_angle_gamma 89.99991578
_space_group_nam... |
MoveTowardsAtomAction | 5d3a9712-13c0-43ad-983c-a899cefcfb13 | mp-715438 | Move the atom at index 12 towards the atom at index 4 by 2.851 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6O8
_chemical_formula_sum "Fe6 O8"
_cell_length_a 2.94267094
_cell_length_b 5.098815649999999
_cell_length_c 9.99026188
_cell_angle_alpha 90.1093699
_cell_angle_beta 90.23295843
_cell_angle_gamma 73.27708706
_space_group_name_H-M... | data_image0
_chemical_formula_structural Fe6O8
_chemical_formula_sum "Fe6 O8"
_cell_length_a 2.94267094
_cell_length_b 5.098815649999999
_cell_length_c 9.99026188
_cell_angle_alpha 90.1093699
_cell_angle_beta 90.23295843
_cell_angle_gamma 73.27708706
_space_group_name_H-M... |
MoveTowardsAtomAction | 03a6a412-f8fa-4fcf-b8e0-ab9f7730bd6a | mp-554765 | Move the atom at index 7 towards the atom at index 4 by 0.592 angstrom in the cif file. | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... |
MoveTowardsAtomAction | 165c1e64-3b81-40eb-a82c-16e874acd2ba | mp-1208150 | Move the atom at index 3 towards the atom at index 6 by 2.303 angstrom in the cif file. | data_image0
_chemical_formula_structural Th4Cr4Sb12
_chemical_formula_sum "Th4 Cr4 Sb12"
_cell_length_a 6.199992
_cell_length_b 6.315171
_cell_length_c 12.955849
_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 Th4Cr4Sb12
_chemical_formula_sum "Th4 Cr4 Sb12"
_cell_length_a 6.199992
_cell_length_b 6.315171
_cell_length_c 12.955849
_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 | 444aa6bb-64aa-4511-a3db-dfc6914147bf | mp-774237 | Move the atom at index 15 towards the atom at index 21 by 1.126 angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Cr2Ni5O12
_chemical_formula_sum "Li5 Cr2 Ni5 O12"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.29044020... | data_image0
_chemical_formula_structural Li5Cr2Ni5O12
_chemical_formula_sum "Li5 Cr2 Ni5 O12"
_cell_length_a 5.11569181
_cell_length_b 5.11569181
_cell_length_c 9.77111095
_cell_angle_alpha 84.65273787000001
_cell_angle_beta 84.65273787000001
_cell_angle_gamma 121.29044020... |
MoveTowardsAtomAction | 71598ad1-44ce-4a50-8627-ac93cd85c762 | mp-2207630 | Move the atom at index 16 towards the atom at index 21 by 1.649 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8La4F20
_chemical_formula_sum "Rb8 La4 F20"
_cell_length_a 6.89019891
_cell_length_b 7.81879989
_cell_length_c 11.312775
_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 Rb8La4F20
_chemical_formula_sum "Rb8 La4 F20"
_cell_length_a 6.89019891
_cell_length_b 7.81879989
_cell_length_c 11.312775
_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 | 3745a0a4-3aed-4de8-9f6c-26da03232407 | mp-562662 | Move the atom at index 14 towards the atom at index 44 by 0.462 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Co4C8O24F8
_chemical_formula_sum "Ba8 Co4 C8 O24 F8"
_cell_length_a 6.749409
_cell_length_b 9.088334
_cell_length_c 11.704113
_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 Ba8Co4C8O24F8
_chemical_formula_sum "Ba8 Co4 C8 O24 F8"
_cell_length_a 6.749409
_cell_length_b 9.088334
_cell_length_c 11.704113
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 1eebf4de-4c4b-4927-9350-0755686527a4 | mp-755978 | Move the atom at index 2 towards the atom at index 4 by 2.88 angstrom in the cif file. | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
_space_g... | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
_space_g... |
MoveTowardsAtomAction | 8deebd40-8ed9-49ba-8731-2bcd59872fe9 | mp-21683 | Move the atom at index 22 towards the atom at index 9 by 1.705 angstrom in the cif file. | data_image0
_chemical_formula_structural In2Ni21P6
_chemical_formula_sum "In2 Ni21 P6"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
_space... | data_image0
_chemical_formula_structural In2Ni21P6
_chemical_formula_sum "In2 Ni21 P6"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
_space... |
MoveTowardsAtomAction | e66de8be-c08d-4b42-91bc-ee9c691deeca | mp-1211033 | Move the atom at index 8 towards the atom at index 15 by 0.618 angstrom in the cif file. | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... |
MoveTowardsAtomAction | 7d4b0fca-d997-4caf-841a-2c6d9815e14c | mp-1205446 | Move the atom at index 17 towards the atom at index 33 by 2.18 angstrom in the cif file. | data_image0
_chemical_formula_structural Hg32Br12O16
_chemical_formula_sum "Hg32 Br12 O16"
_cell_length_a 6.37154252
_cell_length_b 6.94871517
_cell_length_c 31.68044603
_cell_angle_alpha 83.68968203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Hg32Br12O16
_chemical_formula_sum "Hg32 Br12 O16"
_cell_length_a 6.37154252
_cell_length_b 6.94871517
_cell_length_c 31.68044603
_cell_angle_alpha 83.68968203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | ef240246-ea2f-4d33-b39b-197bd2596881 | mp-1038443 | Move the atom at index 14 towards the atom at index 38 by 2.118 angstrom in the cif file. | data_image0
_chemical_formula_structural HfMg30CdO32
_chemical_formula_sum "Hf1 Mg30 Cd1 O32"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_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 HfMg30CdO32
_chemical_formula_sum "Hf1 Mg30 Cd1 O32"
_cell_length_a 8.661808
_cell_length_b 8.661808
_cell_length_c 8.652348
_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 | a0c734db-c966-4538-a522-73e43ae0e4e2 | mp-1029771 | Move the atom at index 18 towards the atom at index 23 by 0.601 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... |
MoveTowardsAtomAction | 3659355c-96a0-42dd-af9a-51d8740fc6ef | mp-1215346 | Move the atom at index 5 towards the atom at index 10 by 1.475 angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 90761521-f768-42fb-8e31-db49817b5829 | mp-1176871 | Move the atom at index 49 towards the atom at index 36 by 2.422 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 | af9145af-d21c-49f7-b09b-d5240992a548 | mp-775016 | Move the atom at index 10 towards the atom at index 18 by 0.265 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2Cr2P4O16
_chemical_formula_sum "Mn2 Cr2 P4 O16"
_cell_length_a 4.83844923
_cell_length_b 9.86507043
_cell_length_c 5.88522203
_cell_angle_alpha 90.00640642999998
_cell_angle_beta 89.99026565999999
_cell_angle_gamma 91.72516821
_... | data_image0
_chemical_formula_structural Mn2Cr2P4O16
_chemical_formula_sum "Mn2 Cr2 P4 O16"
_cell_length_a 4.83844923
_cell_length_b 9.86507043
_cell_length_c 5.88522203
_cell_angle_alpha 90.00640642999998
_cell_angle_beta 89.99026565999999
_cell_angle_gamma 91.72516821
_... |
MoveTowardsAtomAction | 29bf27f9-a8d9-4d8d-b4b3-2f2ed3ec3b8d | mp-1320145 | Move the atom at index 8 towards the atom at index 15 by 1.864 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2Mo2Cl2O8
_chemical_formula_sum "Li2 Fe2 Mo2 Cl2 O8"
_cell_length_a 5.11409378
_cell_length_b 7.06203233
_cell_length_c 7.13712466
_cell_angle_alpha 89.81401738
_cell_angle_beta 91.97105808
_cell_angle_gamma 89.97829328
_space... | data_image0
_chemical_formula_structural Li2Fe2Mo2Cl2O8
_chemical_formula_sum "Li2 Fe2 Mo2 Cl2 O8"
_cell_length_a 5.11409378
_cell_length_b 7.06203233
_cell_length_c 7.13712466
_cell_angle_alpha 89.81401738
_cell_angle_beta 91.97105808
_cell_angle_gamma 89.97829328
_space... |
MoveTowardsAtomAction | 1fbcf2ac-8ff4-4e9c-a362-dd8f539cc88d | mp-1106114 | Move the atom at index 9 towards the atom at index 0 by 2.394 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb6Nd2N12
_chemical_formula_sum "Rb6 Nd2 N12"
_cell_length_a 8.31267826
_cell_length_b 8.31267826
_cell_length_c 8.31267785
_cell_angle_alpha 90.96326456999999
_cell_angle_beta 90.96326456999999
_cell_angle_gamma 90.96325711999998
... | data_image0
_chemical_formula_structural Rb6Nd2N12
_chemical_formula_sum "Rb6 Nd2 N12"
_cell_length_a 8.31267826
_cell_length_b 8.31267826
_cell_length_c 8.31267785
_cell_angle_alpha 90.96326456999999
_cell_angle_beta 90.96326456999999
_cell_angle_gamma 90.96325711999998
... |
MoveTowardsAtomAction | f7b24f77-d487-4a98-86bd-5f33b1027cfc | mp-1229210 | Move the atom at index 14 towards the atom at index 17 by 1.698 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Er5Cu15O34
_chemical_formula_sum "Ba10 Er5 Cu15 O34"
_cell_length_a 8.622765
_cell_length_b 8.75698465
_cell_length_c 12.5324057
_cell_angle_alpha 106.37783221
_cell_angle_beta 98.23103807
_cell_angle_gamma 88.83387604
_space_g... | data_image0
_chemical_formula_structural Ba10Er5Cu15O34
_chemical_formula_sum "Ba10 Er5 Cu15 O34"
_cell_length_a 8.622765
_cell_length_b 8.75698465
_cell_length_c 12.5324057
_cell_angle_alpha 106.37783221
_cell_angle_beta 98.23103807
_cell_angle_gamma 88.83387604
_space_g... |
MoveTowardsAtomAction | 670dd0d6-35cb-4b8f-9786-aab674e452d4 | mp-1324601 | Move the atom at index 22 towards the atom at index 21 by 1.85 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn12Si12Ag8O48
_chemical_formula_sum "Zn12 Si12 Ag8 O48"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural Zn12Si12Ag8O48
_chemical_formula_sum "Zn12 Si12 Ag8 O48"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... |
MoveTowardsAtomAction | 8e89ae6a-4d0d-4119-8af3-2c1a8c515b2f | mp-1386638 | Move the atom at index 18 towards the atom at index 7 by 1.789 angstrom in the cif file. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... |
MoveTowardsAtomAction | a2ee8a89-56c6-449d-b734-af8952e0b48f | mp-849436 | Move the atom at index 21 towards the atom at index 12 by 1.424 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Fe8O16
_chemical_formula_sum "Na4 Fe8 O16"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_space_grou... | data_image0
_chemical_formula_structural Na4Fe8O16
_chemical_formula_sum "Na4 Fe8 O16"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_space_grou... |
MoveTowardsAtomAction | 3cb41b8c-a5c3-4731-b85d-8f01dfa1b555 | mp-1238779 | Move the atom at index 2 towards the atom at index 10 by 0.769 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Cr4S8
_chemical_formula_sum "Rb2 Cr4 S8"
_cell_length_a 7.72320835
_cell_length_b 7.72320835
_cell_length_c 7.72320835
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... | data_image0
_chemical_formula_structural Rb2Cr4S8
_chemical_formula_sum "Rb2 Cr4 S8"
_cell_length_a 7.72320835
_cell_length_b 7.72320835
_cell_length_c 7.72320835
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... |
MoveTowardsAtomAction | d5dbe5bf-bda4-49f7-8f16-d0c973c000b2 | mp-559435 | Move the atom at index 2 towards the atom at index 10 by 2.451 angstrom in the cif file. | data_image0
_chemical_formula_structural Co3F9
_chemical_formula_sum "Co3 F9"
_cell_length_a 5.29447817
_cell_length_b 5.29447914
_cell_length_c 6.484095559999999
_cell_angle_alpha 90.00003394
_cell_angle_beta 89.99998015
_cell_angle_gamma 120.00004250999999
_space_group_... | data_image0
_chemical_formula_structural Co3F9
_chemical_formula_sum "Co3 F9"
_cell_length_a 5.29447817
_cell_length_b 5.29447914
_cell_length_c 6.484095559999999
_cell_angle_alpha 90.00003394
_cell_angle_beta 89.99998015
_cell_angle_gamma 120.00004250999999
_space_group_... |
MoveTowardsAtomAction | 83ac01e0-3cd2-48ad-aa95-7137e700cd89 | mp-770799 | Move the atom at index 9 towards the atom at index 0 by 0.7 angstrom in the cif file. | data_image0
_chemical_formula_structural Li10Nb2O10
_chemical_formula_sum "Li10 Nb2 O10"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
_spac... | data_image0
_chemical_formula_structural Li10Nb2O10
_chemical_formula_sum "Li10 Nb2 O10"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
_spac... |
MoveTowardsAtomAction | fb80c09b-6aa4-4201-9e00-b7d8d4a0b2fc | mp-850188 | Move the atom at index 7 towards the atom at index 8 by 1.935 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 261f213b-a3d0-4ae9-8323-0a60ba612784 | mp-1046778 | Move the atom at index 4 towards the atom at index 1 by 2.956 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Y4Sn4O14
_chemical_formula_sum "Sr4 Y4 Sn4 O14"
_cell_length_a 11.91755355
_cell_length_b 11.917553550000001
_cell_length_c 11.91755355
_cell_angle_alpha 46.54074575
_cell_angle_beta 146.32237085
_cell_angle_gamma 148.83359540999... | data_image0
_chemical_formula_structural Sr4Y4Sn4O14
_chemical_formula_sum "Sr4 Y4 Sn4 O14"
_cell_length_a 11.91755355
_cell_length_b 11.917553550000001
_cell_length_c 11.91755355
_cell_angle_alpha 46.54074575
_cell_angle_beta 146.32237085
_cell_angle_gamma 148.83359540999... |
MoveTowardsAtomAction | 5becdefc-ca2b-4a95-afbc-2f89d57a4ac6 | mp-1026435 | Move the atom at index 13 towards the atom at index 2 by 1.769 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | 6cbb008c-7475-4f3e-b315-5c3dcf293030 | mp-1235662 | Move the atom at index 14 towards the atom at index 1 by 2.719 angstrom in the cif file. | data_image0
_chemical_formula_structural LiY2Fe4O8
_chemical_formula_sum "Li1 Y2 Fe4 O8"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_group_nam... | data_image0
_chemical_formula_structural LiY2Fe4O8
_chemical_formula_sum "Li1 Y2 Fe4 O8"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_group_nam... |
MoveTowardsAtomAction | 0ec45db0-6e02-4678-8341-488962e6dfd6 | mp-3956 | Move the atom at index 17 towards the atom at index 1 by 0.215 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6U2O12
_chemical_formula_sum "Sr6 U2 O12"
_cell_length_a 6.01187075
_cell_length_b 6.24491972
_cell_length_c 8.62546066
_cell_angle_alpha 90.0
_cell_angle_beta 90.47273692
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sr6U2O12
_chemical_formula_sum "Sr6 U2 O12"
_cell_length_a 6.01187075
_cell_length_b 6.24491972
_cell_length_c 8.62546066
_cell_angle_alpha 90.0
_cell_angle_beta 90.47273692
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 3204f592-c923-4b83-bf9b-21722d9c2a10 | mp-1249385 | Move the atom at index 5 towards the atom at index 10 by 0.676 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Ti2AlTlO7
_chemical_formula_sum "Ba2 Ti2 Al1 Tl1 O7"
_cell_length_a 3.84082844
_cell_length_b 3.84762645
_cell_length_c 14.584079240000001
_cell_angle_alpha 93.18656865
_cell_angle_beta 93.17865177000002
_cell_angle_gamma 87.6991... | data_image0
_chemical_formula_structural Ba2Ti2AlTlO7
_chemical_formula_sum "Ba2 Ti2 Al1 Tl1 O7"
_cell_length_a 3.84082844
_cell_length_b 3.84762645
_cell_length_c 14.584079240000001
_cell_angle_alpha 93.18656865
_cell_angle_beta 93.17865177000002
_cell_angle_gamma 87.6991... |
MoveTowardsAtomAction | 035b60e4-fcd9-4a31-90ad-f97b360542fd | mp-1192837 | Move the atom at index 20 towards the atom at index 12 by 2.383 angstrom in the cif file. | data_image0
_chemical_formula_structural Al2Sb10Se10Cl8
_chemical_formula_sum "Al2 Sb10 Se10 Cl8"
_cell_length_a 9.701918
_cell_length_b 9.83934008
_cell_length_c 11.94593014
_cell_angle_alpha 104.07211943
_cell_angle_beta 110.25561751999999
_cell_angle_gamma 99.7414425
_... | data_image0
_chemical_formula_structural Al2Sb10Se10Cl8
_chemical_formula_sum "Al2 Sb10 Se10 Cl8"
_cell_length_a 9.701918
_cell_length_b 9.83934008
_cell_length_c 11.94593014
_cell_angle_alpha 104.07211943
_cell_angle_beta 110.25561751999999
_cell_angle_gamma 99.7414425
_... |
MoveTowardsAtomAction | aa588b6e-b7b2-40e1-84c0-5c07bdcafd55 | mp-1035395 | Move the atom at index 0 towards the atom at index 10 by 1.167 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14VCuO16
_chemical_formula_sum "Mg14 V1 Cu1 O16"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_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 Mg14VCuO16
_chemical_formula_sum "Mg14 V1 Cu1 O16"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_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 | 0174d41d-115d-4df1-aa47-4ee9380d717f | mp-559163 | Move the atom at index 0 towards the atom at index 13 by 2.257 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 | 94a5a6e0-894b-4f48-9bde-3b85889f3655 | mp-757591 | Move the atom at index 78 towards the atom at index 18 by 2.492 angstrom in the cif file. | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.793502
_cell_length_b 9.81214705
_cell_length_c 13.9753412
_cell_angle_alpha 89.76570739
_cell_angle_beta 89.74495204
_cell_angle_gamma 60.22690322
_space_group_... | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.793502
_cell_length_b 9.81214705
_cell_length_c 13.9753412
_cell_angle_alpha 89.76570739
_cell_angle_beta 89.74495204
_cell_angle_gamma 60.22690322
_space_group_... |
MoveTowardsAtomAction | 4d681b85-4cfb-46ce-bccc-a9a81e23835f | mp-11726 | Move the atom at index 12 towards the atom at index 19 by 2.465 angstrom in the cif file. | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... |
MoveTowardsAtomAction | 729c7d12-f614-4434-859d-6695b8216c3b | mp-540706 | Move the atom at index 28 towards the atom at index 13 by 0.941 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Nb8O22
_chemical_formula_sum "Na4 Nb8 O22"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.20927979
_s... | data_image0
_chemical_formula_structural Na4Nb8O22
_chemical_formula_sum "Na4 Nb8 O22"
_cell_length_a 12.94249259
_cell_length_b 12.94249259
_cell_length_c 12.94249272
_cell_angle_alpha 28.209280090000004
_cell_angle_beta 28.20928008999999
_cell_angle_gamma 28.20927979
_s... |
MoveTowardsAtomAction | 9462a1d0-0da9-4f67-9e8c-c00d089e3412 | mp-1198574 | Move the atom at index 28 towards the atom at index 43 by 0.217 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4H32C12N8O24
_chemical_formula_sum "Mg4 H32 C12 N8 O24"
_cell_length_a 7.86321414
_cell_length_b 13.73812786
_cell_length_c 7.37876697
_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 Mg4H32C12N8O24
_chemical_formula_sum "Mg4 H32 C12 N8 O24"
_cell_length_a 7.86321414
_cell_length_b 13.73812786
_cell_length_c 7.37876697
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | e18599dc-56df-4acb-b2f3-d2d6526c582b | mp-1028135 | Move the atom at index 11 towards the atom at index 4 by 1.293 angstrom in the cif file. | data_image0
_chemical_formula_structural CaMg14Bi
_chemical_formula_sum "Ca1 Mg14 Bi1"
_cell_length_a 6.57699513
_cell_length_b 6.40011836
_cell_length_c 10.55966491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.11430116
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural CaMg14Bi
_chemical_formula_sum "Ca1 Mg14 Bi1"
_cell_length_a 6.57699513
_cell_length_b 6.40011836
_cell_length_c 10.55966491
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.11430116
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | f5680b76-fea1-4a76-ae09-998a6e7d5a10 | mp-1210644 | Move the atom at index 0 towards the atom at index 7 by 0.753 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd2Hf2O28
_chemical_formula_sum "Nd2 Hf2 O28"
_cell_length_a 7.62017441
_cell_length_b 7.620174410000001
_cell_length_c 7.62017441
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Nd2Hf2O28
_chemical_formula_sum "Nd2 Hf2 O28"
_cell_length_a 7.62017441
_cell_length_b 7.620174410000001
_cell_length_c 7.62017441
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... |
MoveTowardsAtomAction | 7dd5d12a-5671-4677-821e-b8943ea076c6 | mp-1219537 | Move the atom at index 10 towards the atom at index 36 by 0.956 angstrom in the cif file. | data_image0
_chemical_formula_structural Sc3Ga16Fe20
_chemical_formula_sum "Sc3 Ga16 Fe20"
_cell_length_a 5.013486
_cell_length_b 6.50179875
_cell_length_c 18.24321775
_cell_angle_alpha 93.86234432
_cell_angle_beta 82.10218078
_cell_angle_gamma 112.67764555
_space_group_n... | data_image0
_chemical_formula_structural Sc3Ga16Fe20
_chemical_formula_sum "Sc3 Ga16 Fe20"
_cell_length_a 5.013486
_cell_length_b 6.50179875
_cell_length_c 18.24321775
_cell_angle_alpha 93.86234432
_cell_angle_beta 82.10218078
_cell_angle_gamma 112.67764555
_space_group_n... |
MoveTowardsAtomAction | 4d2e16e1-4d8a-48a0-beb2-6a28304f344f | mp-1229180 | Move the atom at index 2 towards the atom at index 1 by 1.05 angstrom in the cif file. | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... |
MoveTowardsAtomAction | d06594ac-880c-4e55-9b0e-612707f8d331 | mp-1177387 | Move the atom at index 18 towards the atom at index 7 by 2.102 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.74315413
_cell_length_b 9.74315413
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_beta 89.94735393
_cell_angle_gamma 60.01237149999999
_space_g... | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.74315413
_cell_length_b 9.74315413
_cell_length_c 14.215037
_cell_angle_alpha 89.94735393
_cell_angle_beta 89.94735393
_cell_angle_gamma 60.01237149999999
_space_g... |
MoveTowardsAtomAction | 42bfaaa9-5420-432d-a955-910cda542886 | mp-2236954 | Move the atom at index 15 towards the atom at index 0 by 1.575 angstrom in the cif file. | data_image0
_chemical_formula_structural Co6O6F6
_chemical_formula_sum "Co6 O6 F6"
_cell_length_a 4.5388127
_cell_length_b 4.49083901
_cell_length_c 9.009186039999998
_cell_angle_alpha 89.99284555999999
_cell_angle_beta 91.44723278
_cell_angle_gamma 89.99728025
_space_gro... | data_image0
_chemical_formula_structural Co6O6F6
_chemical_formula_sum "Co6 O6 F6"
_cell_length_a 4.5388127
_cell_length_b 4.49083901
_cell_length_c 9.009186039999998
_cell_angle_alpha 89.99284555999999
_cell_angle_beta 91.44723278
_cell_angle_gamma 89.99728025
_space_gro... |
MoveTowardsAtomAction | 5e9294c4-dd49-4fa5-8932-93badec13f90 | mp-685100 | Move the atom at index 19 towards the atom at index 10 by 2.688 angstrom in the cif file. | data_image0
_chemical_formula_structural Cu14I19
_chemical_formula_sum "Cu14 I19"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_space_gr... | data_image0
_chemical_formula_structural Cu14I19
_chemical_formula_sum "Cu14 I19"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_space_gr... |
MoveTowardsAtomAction | f6c92281-548a-45be-8aa1-48ee71e392d5 | mp-1110589 | Move the atom at index 3 towards the atom at index 9 by 2.67 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2IrAuF6
_chemical_formula_sum "Rb2 Ir1 Au1 F6"
_cell_length_a 6.35201375
_cell_length_b 6.35201375
_cell_length_c 6.35201375
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Rb2IrAuF6
_chemical_formula_sum "Rb2 Ir1 Au1 F6"
_cell_length_a 6.35201375
_cell_length_b 6.35201375
_cell_length_c 6.35201375
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveTowardsAtomAction | 2e7f8b7a-ccf0-440d-8cb6-361f69caa65a | mp-677864 | Move the atom at index 2 towards the atom at index 35 by 0.581 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Sn4P6O24
_chemical_formula_sum "Li2 Sn4 P6 O24"
_cell_length_a 8.55016
_cell_length_b 8.564034920000001
_cell_length_c 9.02612182
_cell_angle_alpha 118.0423152
_cell_angle_beta 90.30425657999999
_cell_angle_gamma 119.49173264
_s... | data_image0
_chemical_formula_structural Li2Sn4P6O24
_chemical_formula_sum "Li2 Sn4 P6 O24"
_cell_length_a 8.55016
_cell_length_b 8.564034920000001
_cell_length_c 9.02612182
_cell_angle_alpha 118.0423152
_cell_angle_beta 90.30425657999999
_cell_angle_gamma 119.49173264
_s... |
MoveTowardsAtomAction | 7603240f-021f-4c7c-9a5e-ac9576b0f07e | mp-1379435 | Move the atom at index 8 towards the atom at index 4 by 1.18 angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Ni5O10
_chemical_formula_sum "Li5 Ni5 O10"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group_name_... | data_image0
_chemical_formula_structural Li5Ni5O10
_chemical_formula_sum "Li5 Ni5 O10"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group_name_... |
MoveTowardsAtomAction | de7b8abf-7756-4fda-a337-d588f5c8fc94 | mp-1213576 | Move the atom at index 18 towards the atom at index 39 by 0.905 angstrom in the cif file. | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... |
MoveTowardsAtomAction | c953de58-4235-4480-9480-d230d1e8a098 | mp-754454 | Move the atom at index 13 towards the atom at index 10 by 2.679 angstrom in the cif file. | data_image0
_chemical_formula_structural Cd2Ag4O8
_chemical_formula_sum "Cd2 Ag4 O8"
_cell_length_a 7.26728171
_cell_length_b 7.26728171
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.61245961
_space_group_name_... | data_image0
_chemical_formula_structural Cd2Ag4O8
_chemical_formula_sum "Cd2 Ag4 O8"
_cell_length_a 7.26728171
_cell_length_b 7.26728171
_cell_length_c 7.26728171
_cell_angle_alpha 131.12632012
_cell_angle_beta 131.12632012
_cell_angle_gamma 71.61245961
_space_group_name_... |
MoveTowardsAtomAction | 45cb88ba-6c26-453e-a560-00d9133acc5e | mp-698292 | Move the atom at index 37 towards the atom at index 12 by 0.221 angstrom in the cif file. | data_image0
_chemical_formula_structural K2ZrCdH16C8O24
_chemical_formula_sum "K2 Zr1 Cd1 H16 C8 O24"
_cell_length_a 9.23941705
_cell_length_b 9.23941705
_cell_length_c 9.23941705
_cell_angle_alpha 103.72416908000001
_cell_angle_beta 103.72416908000001
_cell_angle_gamma 12... | data_image0
_chemical_formula_structural K2ZrCdH16C8O24
_chemical_formula_sum "K2 Zr1 Cd1 H16 C8 O24"
_cell_length_a 9.23941705
_cell_length_b 9.23941705
_cell_length_c 9.23941705
_cell_angle_alpha 103.72416908000001
_cell_angle_beta 103.72416908000001
_cell_angle_gamma 12... |
MoveTowardsAtomAction | 70ea0a71-f94d-4aee-9349-03d3d746f193 | mp-755682 | Move the atom at index 10 towards the atom at index 11 by 2.671 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe2O6F2
_chemical_formula_sum "Li8 Fe2 O6 F2"
_cell_length_a 5.172149
_cell_length_b 5.2195528
_cell_length_c 8.072422239999998
_cell_angle_alpha 71.25930733000001
_cell_angle_beta 82.89881488999998
_cell_angle_gamma 69.88323606
... | data_image0
_chemical_formula_structural Li8Fe2O6F2
_chemical_formula_sum "Li8 Fe2 O6 F2"
_cell_length_a 5.172149
_cell_length_b 5.2195528
_cell_length_c 8.072422239999998
_cell_angle_alpha 71.25930733000001
_cell_angle_beta 82.89881488999998
_cell_angle_gamma 69.88323606
... |
MoveTowardsAtomAction | 9a6c564a-40a0-4486-9fbf-683e03088922 | mp-761155 | Move the atom at index 24 towards the atom at index 2 by 1.93 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co3Ni3W2O16
_chemical_formula_sum "Li4 Co3 Ni3 W2 O16"
_cell_length_a 5.92442302
_cell_length_b 5.92442302
_cell_length_c 9.743585339999997
_cell_angle_alpha 89.6495781
_cell_angle_beta 89.6495781
_cell_angle_gamma 60.14856860999... | data_image0
_chemical_formula_structural Li4Co3Ni3W2O16
_chemical_formula_sum "Li4 Co3 Ni3 W2 O16"
_cell_length_a 5.92442302
_cell_length_b 5.92442302
_cell_length_c 9.743585339999997
_cell_angle_alpha 89.6495781
_cell_angle_beta 89.6495781
_cell_angle_gamma 60.14856860999... |
MoveTowardsAtomAction | 4ff04e0d-f086-4813-b467-c09507784d72 | mp-1034797 | Move the atom at index 19 towards the atom at index 0 by 1.116 angstrom in the cif file. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 | db6b9db5-e8ed-445e-82c9-e169bfb5cf54 | mp-1033833 | Move the atom at index 10 towards the atom at index 4 by 1.723 angstrom in the cif file. | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... |
MoveTowardsAtomAction | 7aab9157-e2c0-4101-9d70-94c7435d4ee4 | mp-30794 | Move the atom at index 14 towards the atom at index 3 by 1.34 angstrom in the cif file. | data_image0
_chemical_formula_structural Na30Sn8
_chemical_formula_sum "Na30 Sn8"
_cell_length_a 11.2804714
_cell_length_b 11.28047127
_cell_length_c 11.28047112
_cell_angle_alpha 109.47121859
_cell_angle_beta 109.47121835
_cell_angle_gamma 109.47122315000001
_space_group... | data_image0
_chemical_formula_structural Na30Sn8
_chemical_formula_sum "Na30 Sn8"
_cell_length_a 11.2804714
_cell_length_b 11.28047127
_cell_length_c 11.28047112
_cell_angle_alpha 109.47121859
_cell_angle_beta 109.47121835
_cell_angle_gamma 109.47122315000001
_space_group... |
MoveTowardsAtomAction | 14434bd7-e44e-42be-a521-d9d1687db9ac | mp-2219347 | Move the atom at index 3 towards the atom at index 4 by 0.873 angstrom in the cif file. | data_image0
_chemical_formula_structural MgTe4Mo2W2S4
_chemical_formula_sum "Mg1 Te4 Mo2 W2 S4"
_cell_length_a 3.367064
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_cell_angle_gamma 119.995444020000... | data_image0
_chemical_formula_structural MgTe4Mo2W2S4
_chemical_formula_sum "Mg1 Te4 Mo2 W2 S4"
_cell_length_a 3.367064
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_cell_angle_gamma 119.995444020000... |
MoveTowardsAtomAction | b8678a4f-c5e6-4312-bc66-f144806bffaa | mp-1033378 | Move the atom at index 15 towards the atom at index 8 by 0.15 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6CrBiO8
_chemical_formula_sum "Mg6 Cr1 Bi1 O8"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_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 Mg6CrBiO8
_chemical_formula_sum "Mg6 Cr1 Bi1 O8"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 4cf6e50b-c9ad-4bb8-ae8b-621ac644543f | mp-706430 | Move the atom at index 24 towards the atom at index 13 by 1.149 angstrom in the cif file. | data_image0
_chemical_formula_structural H12N4O16
_chemical_formula_sum "H12 N4 O16"
_cell_length_a 6.168374
_cell_length_b 6.302972
_cell_length_c 9.270461
_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 H12N4O16
_chemical_formula_sum "H12 N4 O16"
_cell_length_a 6.168374
_cell_length_b 6.302972
_cell_length_c 9.270461
_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 | 276f2039-1b9b-43c9-b4ce-367cc8480fc8 | mp-1213717 | Move the atom at index 29 towards the atom at index 3 by 2.401 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs8Sb4F20
_chemical_formula_sum "Cs8 Sb4 F20"
_cell_length_a 6.7017
_cell_length_b 8.5046
_cell_length_c 13.056831
_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 Cs8Sb4F20
_chemical_formula_sum "Cs8 Sb4 F20"
_cell_length_a 6.7017
_cell_length_b 8.5046
_cell_length_c 13.056831
_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 | 50e7ae4a-227e-4931-86b7-cf521b123cdf | mp-1227514 | Move the atom at index 6 towards the atom at index 19 by 0.502 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveTowardsAtomAction | 2b4439e3-c59f-479c-bff5-3746ccd858fd | mp-780049 | Move the atom at index 31 towards the atom at index 0 by 2.071 angstrom in the cif file. | data_image0
_chemical_formula_structural Lu2Ta14O38
_chemical_formula_sum "Lu2 Ta14 O38"
_cell_length_a 6.24806164
_cell_length_b 6.2480616399999995
_cell_length_c 20.039688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999617999998
_space_group_nam... | data_image0
_chemical_formula_structural Lu2Ta14O38
_chemical_formula_sum "Lu2 Ta14 O38"
_cell_length_a 6.24806164
_cell_length_b 6.2480616399999995
_cell_length_c 20.039688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999617999998
_space_group_nam... |
MoveTowardsAtomAction | c394dd3d-f128-465a-b22d-3ce3713a25a2 | mp-13514 | Move the atom at index 13 towards the atom at index 19 by 1.212 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4B4O12
_chemical_formula_sum "Nd4 B4 O12"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
_space... | data_image0
_chemical_formula_structural Nd4B4O12
_chemical_formula_sum "Nd4 B4 O12"
_cell_length_a 6.29114009
_cell_length_b 6.5846141
_cell_length_c 6.572748450000001
_cell_angle_alpha 93.73771251
_cell_angle_beta 108.44664408
_cell_angle_gamma 108.27378549999999
_space... |
MoveTowardsAtomAction | 3c4b9428-b60b-44d8-ad5f-f49c44e92171 | mp-735530 | Move the atom at index 3 towards the atom at index 12 by 2.633 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Fe3P6HO22
_chemical_formula_sum "Ba2 Fe3 P6 H1 O22"
_cell_length_a 4.919701
_cell_length_b 8.00249343
_cell_length_c 11.42330261
_cell_angle_alpha 89.27073239
_cell_angle_beta 89.2849342
_cell_angle_gamma 87.13515349000001
_spac... | data_image0
_chemical_formula_structural Ba2Fe3P6HO22
_chemical_formula_sum "Ba2 Fe3 P6 H1 O22"
_cell_length_a 4.919701
_cell_length_b 8.00249343
_cell_length_c 11.42330261
_cell_angle_alpha 89.27073239
_cell_angle_beta 89.2849342
_cell_angle_gamma 87.13515349000001
_spac... |
MoveTowardsAtomAction | 3a566f95-9d7d-4e6f-b439-c36db2ac3077 | mp-559593 | Move the atom at index 19 towards the atom at index 6 by 2.445 angstrom in the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... |
MoveTowardsAtomAction | 18d8515e-bfd5-47dc-9c9c-17b5113fd26f | mp-555541 | Move the atom at index 2 towards the atom at index 0 by 0.957 angstrom in the cif file. | data_image0
_chemical_formula_structural K4C4N8O16
_chemical_formula_sum "K4 C4 N8 O16"
_cell_length_a 7.67341916
_cell_length_b 7.67341916
_cell_length_c 9.15047742
_cell_angle_alpha 75.97483683
_cell_angle_beta 75.97483683
_cell_angle_gamma 61.05566727000001
_space_grou... | data_image0
_chemical_formula_structural K4C4N8O16
_chemical_formula_sum "K4 C4 N8 O16"
_cell_length_a 7.67341916
_cell_length_b 7.67341916
_cell_length_c 9.15047742
_cell_angle_alpha 75.97483683
_cell_angle_beta 75.97483683
_cell_angle_gamma 61.05566727000001
_space_grou... |
MoveTowardsAtomAction | ad3bb76b-8b36-4bbf-b539-b97de1c52ba0 | mp-1044010 | Move the atom at index 16 towards the atom at index 10 by 0.649 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn4Sn4Bi4O20
_chemical_formula_sum "Zn4 Sn4 Bi4 O20"
_cell_length_a 11.157864
_cell_length_b 5.332821
_cell_length_c 8.81112013
_cell_angle_alpha 73.00569277999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Zn4Sn4Bi4O20
_chemical_formula_sum "Zn4 Sn4 Bi4 O20"
_cell_length_a 11.157864
_cell_length_b 5.332821
_cell_length_c 8.81112013
_cell_angle_alpha 73.00569277999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveTowardsAtomAction | e5215aa3-2d73-4fba-a9e1-ffdec2de370c | mp-705551 | Move the atom at index 19 towards the atom at index 15 by 2.501 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe15O16
_chemical_formula_sum "Fe15 O16"
_cell_length_a 6.247103
_cell_length_b 6.26532232
_cell_length_c 8.76823809
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
_cell_angle_gamma 90.08758079
_space_group_name_H... | data_image0
_chemical_formula_structural Fe15O16
_chemical_formula_sum "Fe15 O16"
_cell_length_a 6.247103
_cell_length_b 6.26532232
_cell_length_c 8.76823809
_cell_angle_alpha 90.37687825000002
_cell_angle_beta 90.44855667
_cell_angle_gamma 90.08758079
_space_group_name_H... |
MoveTowardsAtomAction | ac71d7cf-4b4b-45bc-9955-0ba039310a79 | mp-4770 | Move the atom at index 11 towards the atom at index 9 by 2.326 angstrom in the cif file. | data_image0
_chemical_formula_structural Na4S2O8
_chemical_formula_sum "Na4 S2 O8"
_cell_length_a 5.65505031
_cell_length_b 5.65504963
_cell_length_c 6.76083777
_cell_angle_alpha 102.80605339
_cell_angle_beta 102.80604188
_cell_angle_gamma 118.03516548
_space_group_name_H... | data_image0
_chemical_formula_structural Na4S2O8
_chemical_formula_sum "Na4 S2 O8"
_cell_length_a 5.65505031
_cell_length_b 5.65504963
_cell_length_c 6.76083777
_cell_angle_alpha 102.80605339
_cell_angle_beta 102.80604188
_cell_angle_gamma 118.03516548
_space_group_name_H... |
MoveTowardsAtomAction | bb1fb229-7a17-4fe9-8f32-009deacbb7a9 | mp-1207356 | Move the atom at index 2 towards the atom at index 8 by 2.09 angstrom in the cif file. | data_image0
_chemical_formula_structural RbTm3O6
_chemical_formula_sum "Rb1 Tm3 O6"
_cell_length_a 9.51444701
_cell_length_b 9.51444701
_cell_length_c 49.783382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 101.33830283
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural RbTm3O6
_chemical_formula_sum "Rb1 Tm3 O6"
_cell_length_a 9.51444701
_cell_length_b 9.51444701
_cell_length_c 49.783382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 101.33830283
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 5123d751-d629-49cf-acaf-6aefcdb37b40 | mp-22290 | Move the atom at index 13 towards the atom at index 8 by 2.833 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6Si7Ni16
_chemical_formula_sum "Mn6 Si7 Ni16"
_cell_length_a 7.80082259
_cell_length_b 7.800822819999999
_cell_length_c 7.80082177
_cell_angle_alpha 60.00417865
_cell_angle_beta 60.00417477999999
_cell_angle_gamma 60.0041852199999... | data_image0
_chemical_formula_structural Mn6Si7Ni16
_chemical_formula_sum "Mn6 Si7 Ni16"
_cell_length_a 7.80082259
_cell_length_b 7.800822819999999
_cell_length_c 7.80082177
_cell_angle_alpha 60.00417865
_cell_angle_beta 60.00417477999999
_cell_angle_gamma 60.0041852199999... |
MoveTowardsAtomAction | bba1b982-46df-4798-995e-7e9c672d7077 | mp-1304002 | Move the atom at index 2 towards the atom at index 16 by 0.326 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 | fb12f04c-6d8f-4c72-a405-e9876894ec3f | mp-1520897 | Move the atom at index 1 towards the atom at index 8 by 1.134 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2CrBiO6
_chemical_formula_sum "Sr2 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Sr2CrBiO6
_chemical_formula_sum "Sr2 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveTowardsAtomAction | c97d7192-48d3-499b-bae5-584595ede455 | mp-1035887 | Move the atom at index 18 towards the atom at index 25 by 1.831 angstrom in the cif file. | data_image0
_chemical_formula_structural KMg14WO16
_chemical_formula_sum "K1 Mg14 W1 O16"
_cell_length_a 4.394113
_cell_length_b 8.642247
_cell_length_c 8.787907
_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 KMg14WO16
_chemical_formula_sum "K1 Mg14 W1 O16"
_cell_length_a 4.394113
_cell_length_b 8.642247
_cell_length_c 8.787907
_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 | 4d89852b-5abc-47ec-a350-f65c89334b75 | mp-1208371 | Move the atom at index 19 towards the atom at index 12 by 0.465 angstrom in the cif file. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 | b498ff17-5854-4b8f-bbba-9e884e24cff5 | mp-1237973 | Move the atom at index 8 towards the atom at index 7 by 2.343 angstrom in the cif file. | data_image0
_chemical_formula_structural Y2Mg2S6
_chemical_formula_sum "Y2 Mg2 S6"
_cell_length_a 6.92440926
_cell_length_b 6.92440926
_cell_length_c 6.788429890000001
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle_gamma 111.76076144
_space_group_nam... | data_image0
_chemical_formula_structural Y2Mg2S6
_chemical_formula_sum "Y2 Mg2 S6"
_cell_length_a 6.92440926
_cell_length_b 6.92440926
_cell_length_c 6.788429890000001
_cell_angle_alpha 73.7108485
_cell_angle_beta 73.7108485
_cell_angle_gamma 111.76076144
_space_group_nam... |
MoveTowardsAtomAction | b044d81a-a15d-4f69-a1ee-5e65f847c38f | mp-570610 | Move the atom at index 15 towards the atom at index 37 by 0.738 angstrom in the cif file. | data_image0
_chemical_formula_structural Cd13I26
_chemical_formula_sum "Cd13 I26"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cd13I26
_chemical_formula_sum "Cd13 I26"
_cell_length_a 4.28762948
_cell_length_b 4.28762948
_cell_length_c 93.44639304
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000117
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 2f59ef40-2015-4a1c-b8fa-e66e4622e954 | mp-560404 | Move the atom at index 9 towards the atom at index 13 by 0.362 angstrom in the cif file. | data_image0
_chemical_formula_structural In4H4Se4O16
_chemical_formula_sum "In4 H4 Se4 O16"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_group_na... | data_image0
_chemical_formula_structural In4H4Se4O16
_chemical_formula_sum "In4 H4 Se4 O16"
_cell_length_a 5.781556
_cell_length_b 8.18983902
_cell_length_c 8.30235407
_cell_angle_alpha 87.63456667
_cell_angle_beta 79.51510282
_cell_angle_gamma 83.03947911
_space_group_na... |
MoveTowardsAtomAction | 27dc524f-52af-4853-83c1-3d06d498b0dc | mp-728419 | Move the atom at index 16 towards the atom at index 31 by 0.696 angstrom in the cif file. | data_image0
_chemical_formula_structural Cd4C28S12N16
_chemical_formula_sum "Cd4 C28 S12 N16"
_cell_length_a 9.557018
_cell_length_b 10.760586
_cell_length_c 14.051301
_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 Cd4C28S12N16
_chemical_formula_sum "Cd4 C28 S12 N16"
_cell_length_a 9.557018
_cell_length_b 10.760586
_cell_length_c 14.051301
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 00972dd5-2fd2-4cc1-996a-79b51b61d999 | mp-754801 | Move the atom at index 18 towards the atom at index 21 by 2.48 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... |
MoveTowardsAtomAction | 37e656ea-28f3-4296-8eac-a631e7f83a02 | mp-1199329 | Move the atom at index 14 towards the atom at index 4 by 1.954 angstrom in the cif file. | data_image0
_chemical_formula_structural Gd4P4H4C8O24
_chemical_formula_sum "Gd4 P4 H4 C8 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_group_... | data_image0
_chemical_formula_structural Gd4P4H4C8O24
_chemical_formula_sum "Gd4 P4 H4 C8 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_group_... |
MoveTowardsAtomAction | 979e2c7a-96e2-49a4-9bd9-901b10640f1a | mp-756138 | Move the atom at index 19 towards the atom at index 3 by 1.066 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V6Sb2O16
_chemical_formula_sum "Li4 V6 Sb2 O16"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_group_... | data_image0
_chemical_formula_structural Li4V6Sb2O16
_chemical_formula_sum "Li4 V6 Sb2 O16"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_group_... |
MoveTowardsAtomAction | 6b932930-cf92-4c83-b0da-32c9a9cf5aca | mp-616512 | Move the atom at index 9 towards the atom at index 3 by 1.578 angstrom in the cif file. | data_image0
_chemical_formula_structural Y12Co8
_chemical_formula_sum "Y12 Co8"
_cell_length_a 3.966887
_cell_length_b 9.423694
_cell_length_c 12.225549
_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 Y12Co8
_chemical_formula_sum "Y12 Co8"
_cell_length_a 3.966887
_cell_length_b 9.423694
_cell_length_c 12.225549
_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 | 5c1f8022-7441-4570-befd-283ddeb7f14b | mp-24598 | Move the atom at index 35 towards the atom at index 64 by 2.715 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveTowardsAtomAction | f24a56c9-3686-470f-9cad-48ee7aaf82d2 | mp-566278 | Move the atom at index 1 towards the atom at index 2 by 2.264 angstrom in the cif file. | data_image0
_chemical_formula_structural W4O12
_chemical_formula_sum "W4 O12"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_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_num... | data_image0
_chemical_formula_structural W4O12
_chemical_formula_sum "W4 O12"
_cell_length_a 3.884952
_cell_length_b 7.688686
_cell_length_c 7.749755
_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_num... |
MoveTowardsAtomAction | e49d3a63-679d-42a3-a94f-089c633fbd7d | mp-770874 | Move the atom at index 14 towards the atom at index 26 by 0.811 angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
MoveTowardsAtomAction | 2fa9b272-2459-4db9-80b2-f7db6e8e37e4 | mp-2053129 | Move the atom at index 10 towards the atom at index 7 by 1.707 angstrom in the cif file. | data_image0
_chemical_formula_structural Er4As4S4
_chemical_formula_sum "Er4 As4 S4"
_cell_length_a 3.78665465
_cell_length_b 3.81953299
_cell_length_c 16.80727137
_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 Er4As4S4
_chemical_formula_sum "Er4 As4 S4"
_cell_length_a 3.78665465
_cell_length_b 3.81953299
_cell_length_c 16.80727137
_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 | 9549aa81-ef45-43a8-a9b2-52a73af03773 | mp-555420 | Move the atom at index 72 towards the atom at index 94 by 1.049 angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Li8Ti24O56
_chemical_formula_sum "Na8 Li8 Ti24 O56"
_cell_length_a 10.06311714
_cell_length_b 10.06311714
_cell_length_c 11.54493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.43828377
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na8Li8Ti24O56
_chemical_formula_sum "Na8 Li8 Ti24 O56"
_cell_length_a 10.06311714
_cell_length_b 10.06311714
_cell_length_c 11.54493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.43828377
_space_group_name_H-M_... |
MoveTowardsAtomAction | 5e585d64-dd00-48d2-a4c5-ea16df1ec167 | mp-1105068 | Move the atom at index 6 towards the atom at index 5 by 0.539 angstrom in the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... |
MoveTowardsAtomAction | 137c285a-a819-4121-8484-eae64eccb39a | mp-18672 | Move the atom at index 2 towards the atom at index 10 by 2.607 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Dy4Cu6Se10
_chemical_formula_sum "Cs2 Dy4 Cu6 Se10"
_cell_length_a 7.63432858
_cell_length_b 7.63432858
_cell_length_c 17.431245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.53848154999997
_space_group_name... | data_image0
_chemical_formula_structural Cs2Dy4Cu6Se10
_chemical_formula_sum "Cs2 Dy4 Cu6 Se10"
_cell_length_a 7.63432858
_cell_length_b 7.63432858
_cell_length_c 17.431245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.53848154999997
_space_group_name... |
MoveTowardsAtomAction | 5725a2ab-0caa-481f-9614-dd6bb8015c38 | mp-772660 | Move the atom at index 23 towards the atom at index 7 by 2.449 angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4Cr4O16
_chemical_formula_sum "Nb4 Cr4 O16"
_cell_length_a 4.5187362
_cell_length_b 11.61773218
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.998968
_cell_angle_gamma 89.99993829
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb4Cr4O16
_chemical_formula_sum "Nb4 Cr4 O16"
_cell_length_a 4.5187362
_cell_length_b 11.61773218
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.998968
_cell_angle_gamma 89.99993829
_space_group_name_H-... |
MoveTowardsAtomAction | 4ded6c53-27b2-4b68-a561-b3ebfc9d5e9d | mp-1031226 | Move the atom at index 1 towards the atom at index 9 by 0.378 angstrom in the cif file. | data_image0
_chemical_formula_structural RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 71172c76-68cf-46f6-8a06-86818951144f | mp-1212834 | Move the atom at index 3 towards the atom at index 5 by 0.789 angstrom in the cif file. | data_image0
_chemical_formula_structural Gd4Ni4Pb4
_chemical_formula_sum "Gd4 Ni4 Pb4"
_cell_length_a 4.572982
_cell_length_b 7.27882227
_cell_length_c 7.7671560600000005
_cell_angle_alpha 89.95544366999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Gd4Ni4Pb4
_chemical_formula_sum "Gd4 Ni4 Pb4"
_cell_length_a 4.572982
_cell_length_b 7.27882227
_cell_length_c 7.7671560600000005
_cell_angle_alpha 89.95544366999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
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