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 | cfb5ceea-226f-4bff-9be4-9328f82b9df4 | mp-757246 | Move the atom at index 26 towards the atom at index 22 by 0.197 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti6V2O16
_chemical_formula_sum "Li4 Ti6 V2 O16"
_cell_length_a 5.98040853
_cell_length_b 6.07271908
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma 89.68097839
... | data_image0
_chemical_formula_structural Li4Ti6V2O16
_chemical_formula_sum "Li4 Ti6 V2 O16"
_cell_length_a 5.98040853
_cell_length_b 6.07271908
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma 89.68097839
... |
MoveTowardsAtomAction | 74c26a22-823b-4262-ac11-45c2a7e05c07 | mp-1516711 | Move the atom at index 1 towards the atom at index 5 by 2.632 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Sm4Nb4O24
_chemical_formula_sum "Sr8 Sm4 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_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 Sr8Sm4Nb4O24
_chemical_formula_sum "Sr8 Sm4 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | ed83e204-04d0-4b75-958d-95084b5a4551 | mp-1236137 | Move the atom at index 14 towards the atom at index 3 by 2.032 angstrom in the cif file. | data_image0
_chemical_formula_structural LiY4Bi4O12
_chemical_formula_sum "Li1 Y4 Bi4 O12"
_cell_length_a 5.96680956
_cell_length_b 6.0726233800000005
_cell_length_c 9.440687
_cell_angle_alpha 92.39237984999998
_cell_angle_beta 88.64828208
_cell_angle_gamma 94.05135863
_s... | data_image0
_chemical_formula_structural LiY4Bi4O12
_chemical_formula_sum "Li1 Y4 Bi4 O12"
_cell_length_a 5.96680956
_cell_length_b 6.0726233800000005
_cell_length_c 9.440687
_cell_angle_alpha 92.39237984999998
_cell_angle_beta 88.64828208
_cell_angle_gamma 94.05135863
_s... |
MoveTowardsAtomAction | 148611fa-0072-4b13-9710-f1cb9a3410ea | mp-771159 | Move the atom at index 19 towards the atom at index 4 by 1.732 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... |
MoveTowardsAtomAction | 0ae5ed33-7d4e-47c2-ae9d-21e72e2d264a | mp-505712 | Move the atom at index 9 towards the atom at index 1 by 2.997 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se6
_chemical_formula_sum "Cs2 Ho2 Zn2 Se6"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_group_name... | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se6
_chemical_formula_sum "Cs2 Ho2 Zn2 Se6"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_group_name... |
MoveTowardsAtomAction | 919c8393-e4c6-4fcf-b06f-87dde96bb2e5 | mp-1193265 | Move the atom at index 11 towards the atom at index 10 by 1.478 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 | d7f18f49-c494-42c1-a1a8-569227074951 | mp-1191147 | Move the atom at index 16 towards the atom at index 12 by 2.766 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm2Fe12P7
_chemical_formula_sum "Sm2 Fe12 P7"
_cell_length_a 9.02490835
_cell_length_b 9.02490835
_cell_length_c 3.659076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sm2Fe12P7
_chemical_formula_sum "Sm2 Fe12 P7"
_cell_length_a 9.02490835
_cell_length_b 9.02490835
_cell_length_c 3.659076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | 368c6e09-7063-4676-b26a-2199848b4410 | mp-2236954 | Move the atom at index 12 towards the atom at index 2 by 1.076 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 | 92623857-7ba0-42b8-b740-b80f4c5aed08 | mp-1032565 | Move the atom at index 6 towards the atom at index 12 by 0.654 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6ZnBiO8
_chemical_formula_sum "Mg6 Zn1 Bi1 O8"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mg6ZnBiO8
_chemical_formula_sum "Mg6 Zn1 Bi1 O8"
_cell_length_a 8.95553313
_cell_length_b 4.51736221
_cell_length_c 4.51736221
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 212ab821-6037-4fad-92f5-c133487c26c8 | mp-1079659 | Move the atom at index 4 towards the atom at index 2 by 0.36 angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2B4Mo4
_chemical_formula_sum "Ta2 B4 Mo4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_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 Ta2B4Mo4
_chemical_formula_sum "Ta2 B4 Mo4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_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 | e09a45e7-9922-454d-8f0c-0048ee7062b7 | mp-753901 | Move the atom at index 7 towards the atom at index 13 by 2.022 angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Cu2O8
_chemical_formula_sum "Er4 Cu2 O8"
_cell_length_a 6.48362809
_cell_length_b 6.483628090000001
_cell_length_c 5.467002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.09180630999998
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Er4Cu2O8
_chemical_formula_sum "Er4 Cu2 O8"
_cell_length_a 6.48362809
_cell_length_b 6.483628090000001
_cell_length_c 5.467002
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.09180630999998
_space_group_name_H-M_... |
MoveTowardsAtomAction | d4ca4f16-d286-48d6-a091-edde636072f1 | mp-863373 | Move the atom at index 36 towards the atom at index 56 by 1.879 angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Co12P12O48
_chemical_formula_sum "Li12 Co12 P12 O48"
_cell_length_a 7.521903
_cell_length_b 8.49533
_cell_length_c 16.88228373
_cell_angle_alpha 60.10124674000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Li12Co12P12O48
_chemical_formula_sum "Li12 Co12 P12 O48"
_cell_length_a 7.521903
_cell_length_b 8.49533
_cell_length_c 16.88228373
_cell_angle_alpha 60.10124674000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
MoveTowardsAtomAction | 6b344801-7b5b-4d16-9236-f7bf140c6689 | mp-31691 | Move the atom at index 5 towards the atom at index 13 by 1.541 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cr4P8O28
_chemical_formula_sum "Li4 Cr4 P8 O28"
_cell_length_a 7.95490816
_cell_length_b 7.954908499999999
_cell_length_c 10.48992031
_cell_angle_alpha 88.26967111
_cell_angle_beta 91.73033275
_cell_angle_gamma 65.44205188999999
... | data_image0
_chemical_formula_structural Li4Cr4P8O28
_chemical_formula_sum "Li4 Cr4 P8 O28"
_cell_length_a 7.95490816
_cell_length_b 7.954908499999999
_cell_length_c 10.48992031
_cell_angle_alpha 88.26967111
_cell_angle_beta 91.73033275
_cell_angle_gamma 65.44205188999999
... |
MoveTowardsAtomAction | 7d8fd056-4c5d-4627-971c-38dc0b6ef956 | mp-1233765 | Move the atom at index 12 towards the atom at index 9 by 0.161 angstrom in the cif file. | data_image0
_chemical_formula_structural MgH20Br4N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... | data_image0
_chemical_formula_structural MgH20Br4N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... |
MoveTowardsAtomAction | 8d3af644-9d8a-4306-9f6d-4259720345c4 | mp-1104062 | Move the atom at index 10 towards the atom at index 6 by 1.492 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Ga4Se8
_chemical_formula_sum "Sr2 Ga4 Se8"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sr2Ga4Se8
_chemical_formula_sum "Sr2 Ga4 Se8"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_H-M_al... |
MoveTowardsAtomAction | 8d030852-6b18-454f-8b63-0949f9aa91e3 | mp-1223078 | Move the atom at index 6 towards the atom at index 0 by 2.181 angstrom in the cif file. | data_image0
_chemical_formula_structural La4PtO7
_chemical_formula_sum "La4 Pt1 O7"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group_name_... | data_image0
_chemical_formula_structural La4PtO7
_chemical_formula_sum "La4 Pt1 O7"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group_name_... |
MoveTowardsAtomAction | f82720bb-4109-48cf-8046-8f814d82e802 | mp-1079383 | Move the atom at index 2 towards the atom at index 7 by 2.896 angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveTowardsAtomAction | c28792b9-b6b6-4da2-97de-e226e85ef017 | mp-753944 | Move the atom at index 4 towards the atom at index 10 by 2.822 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn6O10F6
_chemical_formula_sum "Li8 Mn6 O10 F6"
_cell_length_a 2.933047
_cell_length_b 15.76265863
_cell_length_c 6.733708979999999
_cell_angle_alpha 90.22832932
_cell_angle_beta 77.42159341
_cell_angle_gamma 90.00017755
_space_... | data_image0
_chemical_formula_structural Li8Mn6O10F6
_chemical_formula_sum "Li8 Mn6 O10 F6"
_cell_length_a 2.933047
_cell_length_b 15.76265863
_cell_length_c 6.733708979999999
_cell_angle_alpha 90.22832932
_cell_angle_beta 77.42159341
_cell_angle_gamma 90.00017755
_space_... |
MoveTowardsAtomAction | 6e0f738c-166d-4725-96d4-d8647fd6ba73 | mp-557540 | Move the atom at index 17 towards the atom at index 22 by 1.599 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Ag4Sb4S16
_chemical_formula_sum "Rb8 Ag4 Sb4 S16"
_cell_length_a 10.992473
_cell_length_b 8.381543
_cell_length_c 13.37265562
_cell_angle_alpha 52.668803270000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Rb8Ag4Sb4S16
_chemical_formula_sum "Rb8 Ag4 Sb4 S16"
_cell_length_a 10.992473
_cell_length_b 8.381543
_cell_length_c 13.37265562
_cell_angle_alpha 52.668803270000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveTowardsAtomAction | f07a7aae-8bce-4d93-8506-d70eeb1cb268 | mp-1239127 | Move the atom at index 16 towards the atom at index 6 by 0.726 angstrom in the cif file. | data_image0
_chemical_formula_structural Hf4Cr4Cu4S16
_chemical_formula_sum "Hf4 Cr4 Cu4 S16"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_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 Hf4Cr4Cu4S16
_chemical_formula_sum "Hf4 Cr4 Cu4 S16"
_cell_length_a 6.993105
_cell_length_b 7.607061
_cell_length_c 10.262212
_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 | 7eaba98d-2f29-4575-b7a2-d7ab39ba2743 | mp-2215902 | Move the atom at index 7 towards the atom at index 12 by 1.555 angstrom in the cif file. | data_image0
_chemical_formula_structural MgCu2Rh4O8
_chemical_formula_sum "Mg1 Cu2 Rh4 O8"
_cell_length_a 6.37190541
_cell_length_b 6.371854860000001
_cell_length_c 6.02917077
_cell_angle_alpha 90.05795307
_cell_angle_beta 118.18941429
_cell_angle_gamma 123.50880287
_spac... | data_image0
_chemical_formula_structural MgCu2Rh4O8
_chemical_formula_sum "Mg1 Cu2 Rh4 O8"
_cell_length_a 6.37190541
_cell_length_b 6.371854860000001
_cell_length_c 6.02917077
_cell_angle_alpha 90.05795307
_cell_angle_beta 118.18941429
_cell_angle_gamma 123.50880287
_spac... |
MoveTowardsAtomAction | 18f9b9bf-b7f3-4c59-a9e8-6425e1ff4ea2 | mp-21286 | Move the atom at index 3 towards the atom at index 4 by 0.711 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Co4Ge4
_chemical_formula_sum "Mn4 Co4 Ge4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn4Co4Ge4
_chemical_formula_sum "Mn4 Co4 Ge4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | dce9ff57-0e73-427f-ad38-55208954a1f0 | mp-770748 | Move the atom at index 34 towards the atom at index 41 by 1.241 angstrom in the cif file. | data_image0
_chemical_formula_structural Gd12Ta4O28
_chemical_formula_sum "Gd12 Ta4 O28"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_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 Gd12Ta4O28
_chemical_formula_sum "Gd12 Ta4 O28"
_cell_length_a 7.571951
_cell_length_b 7.613442
_cell_length_c 10.757026
_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 | 68563e01-a05c-4670-8d0a-ec7340c80588 | mp-1212973 | Move the atom at index 2 towards the atom at index 3 by 1.336 angstrom in the cif file. | data_image0
_chemical_formula_structural Eu3Ti2O7
_chemical_formula_sum "Eu3 Ti2 O7"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.631133560000006
_... | data_image0
_chemical_formula_structural Eu3Ti2O7
_chemical_formula_sum "Eu3 Ti2 O7"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.631133560000006
_... |
MoveTowardsAtomAction | ed1651f5-a2c4-4b8d-8d6f-1a930fff21fc | mp-1181553 | Move the atom at index 1 towards the atom at index 13 by 1.914 angstrom in the cif file. | data_image0
_chemical_formula_structural Dy10Tl6
_chemical_formula_sum "Dy10 Tl6"
_cell_length_a 8.95511876
_cell_length_b 8.95525361
_cell_length_c 6.647105889999999
_cell_angle_alpha 90.00000222
_cell_angle_beta 89.99999846
_cell_angle_gamma 120.00027852
_space_group_na... | data_image0
_chemical_formula_structural Dy10Tl6
_chemical_formula_sum "Dy10 Tl6"
_cell_length_a 8.95511876
_cell_length_b 8.95525361
_cell_length_c 6.647105889999999
_cell_angle_alpha 90.00000222
_cell_angle_beta 89.99999846
_cell_angle_gamma 120.00027852
_space_group_na... |
MoveTowardsAtomAction | 14f6e63e-e9c5-4eae-a4f5-40d8b1afa946 | mp-1193684 | Move the atom at index 4 towards the atom at index 21 by 0.711 angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6Si4O18
_chemical_formula_sum "Fe6 Si4 O18"
_cell_length_a 5.29336253
_cell_length_b 5.2933625300000005
_cell_length_c 14.47968119
_cell_angle_alpha 89.37314443
_cell_angle_beta 89.37314443
_cell_angle_gamma 119.26640457000002
_s... | data_image0
_chemical_formula_structural Fe6Si4O18
_chemical_formula_sum "Fe6 Si4 O18"
_cell_length_a 5.29336253
_cell_length_b 5.2933625300000005
_cell_length_c 14.47968119
_cell_angle_alpha 89.37314443
_cell_angle_beta 89.37314443
_cell_angle_gamma 119.26640457000002
_s... |
MoveTowardsAtomAction | 85b3958a-8cef-4bf9-877a-6902b008676a | mp-23792 | Move the atom at index 15 towards the atom at index 11 by 0.68 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... |
MoveTowardsAtomAction | 500017ba-5430-4f40-adda-9caf9577f800 | mp-613 | Move the atom at index 2 towards the atom at index 4 by 0.36 angstrom in the cif file. | data_image0
_chemical_formula_structural Te4Pd6
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Te4Pd6
_chemical_formula_sum "Te4 Pd6"
_cell_length_a 3.89741014
_cell_length_b 6.672860370000001
_cell_length_c 7.98481739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.97979929
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | 2d7e0bc3-cd43-4126-8ddd-372e8db714c7 | mp-1194067 | Move the atom at index 8 towards the atom at index 22 by 0.18 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2
_chemical_formula_sum "Na2 Ni2 H8 S2 O12 F2"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group_name_... | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2
_chemical_formula_sum "Na2 Ni2 H8 S2 O12 F2"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group_name_... |
MoveTowardsAtomAction | 912bf52c-e827-4e5b-83f6-22852f3a577a | mp-1228692 | Move the atom at index 26 towards the atom at index 31 by 1.299 angstrom in the cif file. | data_image0
_chemical_formula_structural BaCaZr8P12O48
_chemical_formula_sum "Ba1 Ca1 Zr8 P12 O48"
_cell_length_a 8.917607
_cell_length_b 9.36286206
_cell_length_c 12.9291506
_cell_angle_alpha 93.81950518
_cell_angle_beta 90.00062041
_cell_angle_gamma 90.00663963
_space_g... | data_image0
_chemical_formula_structural BaCaZr8P12O48
_chemical_formula_sum "Ba1 Ca1 Zr8 P12 O48"
_cell_length_a 8.917607
_cell_length_b 9.36286206
_cell_length_c 12.9291506
_cell_angle_alpha 93.81950518
_cell_angle_beta 90.00062041
_cell_angle_gamma 90.00663963
_space_g... |
MoveTowardsAtomAction | b49fbd0f-c5b7-4a95-bdab-31b1f39690e0 | mp-2217543 | Move the atom at index 10 towards the atom at index 7 by 1.529 angstrom in the cif file. | data_image0
_chemical_formula_structural MgCoP2O7
_chemical_formula_sum "Mg1 Co1 P2 O7"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962
_spa... | data_image0
_chemical_formula_structural MgCoP2O7
_chemical_formula_sum "Mg1 Co1 P2 O7"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962
_spa... |
MoveTowardsAtomAction | 534478d0-fe30-46af-bea4-301c00917318 | mp-1204580 | Move the atom at index 25 towards the atom at index 15 by 1.603 angstrom in the cif file. | data_image0
_chemical_formula_structural Nd2H12S2N2O20
_chemical_formula_sum "Nd2 H12 S2 N2 O20"
_cell_length_a 6.15457797
_cell_length_b 6.97092337
_cell_length_c 8.92426997
_cell_angle_alpha 90.0
_cell_angle_beta 93.69777155
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Nd2H12S2N2O20
_chemical_formula_sum "Nd2 H12 S2 N2 O20"
_cell_length_a 6.15457797
_cell_length_b 6.97092337
_cell_length_c 8.92426997
_cell_angle_alpha 90.0
_cell_angle_beta 93.69777155
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveTowardsAtomAction | d2f0007f-91a6-4f73-9d2c-e5923be1c11f | mp-1041307 | Move the atom at index 11 towards the atom at index 17 by 2.952 angstrom in the cif file. | data_image0
_chemical_formula_structural Ho2Zn2W4O12
_chemical_formula_sum "Ho2 Zn2 W4 O12"
_cell_length_a 5.507471
_cell_length_b 5.837335
_cell_length_c 7.87867697
_cell_angle_alpha 87.8951239
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ho2Zn2W4O12
_chemical_formula_sum "Ho2 Zn2 W4 O12"
_cell_length_a 5.507471
_cell_length_b 5.837335
_cell_length_c 7.87867697
_cell_angle_alpha 87.8951239
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 53817b8f-31c2-4e56-90c2-2805e711da22 | mp-758242 | Move the atom at index 33 towards the atom at index 3 by 1.503 angstrom in the cif file. | data_image0
_chemical_formula_structural Li2P6W4O24
_chemical_formula_sum "Li2 P6 W4 O24"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.7976288100000... | data_image0
_chemical_formula_structural Li2P6W4O24
_chemical_formula_sum "Li2 P6 W4 O24"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.7976288100000... |
MoveTowardsAtomAction | c4000be9-9749-469f-b4d8-7ccaea87e8a8 | mp-1209592 | Move the atom at index 4 towards the atom at index 24 by 0.947 angstrom in the cif file. | data_image0
_chemical_formula_structural P8O24
_chemical_formula_sum "P8 O24"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural P8O24
_chemical_formula_sum "P8 O24"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_space_... |
MoveTowardsAtomAction | bbd5049d-a543-40bd-811d-34816d787c99 | mp-600520 | Move the atom at index 25 towards the atom at index 11 by 2.767 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Cu2H8C8O16
_chemical_formula_sum "Sr2 Cu2 H8 C8 O16"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr2Cu2H8C8O16
_chemical_formula_sum "Sr2 Cu2 H8 C8 O16"
_cell_length_a 8.964034
_cell_length_b 7.32883
_cell_length_c 7.40385088
_cell_angle_alpha 87.33660625
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 09892463-0eca-434d-8475-eb16e7f4f5ad | mp-768946 | Move the atom at index 2 towards the atom at index 14 by 0.923 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Cr6Co2O16
_chemical_formula_sum "Li8 Cr6 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_gro... | data_image0
_chemical_formula_structural Li8Cr6Co2O16
_chemical_formula_sum "Li8 Cr6 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_gro... |
MoveTowardsAtomAction | b3ff1533-1ae0-42f4-bdb6-73c7ebc51bd6 | mp-1233765 | Move the atom at index 25 towards the atom at index 14 by 1.312 angstrom in the cif file. | data_image0
_chemical_formula_structural MgH20Br4N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... | data_image0
_chemical_formula_structural MgH20Br4N4O4
_chemical_formula_sum "Mg1 H20 Br4 N4 O4"
_cell_length_a 7.12466648
_cell_length_b 7.57468202
_cell_length_c 8.57176225
_cell_angle_alpha 85.52201156000001
_cell_angle_beta 115.92176755
_cell_angle_gamma 97.77234133
_s... |
MoveTowardsAtomAction | 5b7cf5e9-86f8-47f8-96b6-aeca3a5e67ee | mp-1638898 | Move the atom at index 0 towards the atom at index 4 by 2.807 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe2P2H2O10
_chemical_formula_sum "Li4 Fe2 P2 H2 O10"
_cell_length_a 5.43196326
_cell_length_b 5.52898179
_cell_length_c 7.60347552
_cell_angle_alpha 108.45345149000002
_cell_angle_beta 110.28523021999999
_cell_angle_gamma 93.8252... | data_image0
_chemical_formula_structural Li4Fe2P2H2O10
_chemical_formula_sum "Li4 Fe2 P2 H2 O10"
_cell_length_a 5.43196326
_cell_length_b 5.52898179
_cell_length_c 7.60347552
_cell_angle_alpha 108.45345149000002
_cell_angle_beta 110.28523021999999
_cell_angle_gamma 93.8252... |
MoveTowardsAtomAction | da3d05ff-e3f1-4b97-9b8e-fcd48978d707 | mp-1522800 | Move the atom at index 4 towards the atom at index 8 by 0.416 angstrom in the cif file. | data_image0
_chemical_formula_structural CaEuHfWO6
_chemical_formula_sum "Ca1 Eu1 Hf1 W1 O6"
_cell_length_a 5.79275101
_cell_length_b 5.792751009999999
_cell_length_c 5.792751009999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural CaEuHfWO6
_chemical_formula_sum "Ca1 Eu1 Hf1 W1 O6"
_cell_length_a 5.79275101
_cell_length_b 5.792751009999999
_cell_length_c 5.792751009999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveTowardsAtomAction | 1c98609a-c569-47df-a26e-01e54925e016 | mp-696283 | Move the atom at index 23 towards the atom at index 16 by 2.105 angstrom in the cif file. | data_image0
_chemical_formula_structural H8S8N12O2
_chemical_formula_sum "H8 S8 N12 O2"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_group_name... | data_image0
_chemical_formula_structural H8S8N12O2
_chemical_formula_sum "H8 S8 N12 O2"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_group_name... |
MoveTowardsAtomAction | 11e9ec13-879d-4016-abc8-6942da4b86cb | mp-2898998 | Move the atom at index 4 towards the atom at index 12 by 2.337 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Mn4O8
_chemical_formula_sum "Ca2 Mn4 O8"
_cell_length_a 6.76146264
_cell_length_b 6.76146264
_cell_length_c 10.40359285
_cell_angle_alpha 56.1154693
_cell_angle_beta 56.115469299999994
_cell_angle_gamma 24.612645530000012
_space... | data_image0
_chemical_formula_structural Ca2Mn4O8
_chemical_formula_sum "Ca2 Mn4 O8"
_cell_length_a 6.76146264
_cell_length_b 6.76146264
_cell_length_c 10.40359285
_cell_angle_alpha 56.1154693
_cell_angle_beta 56.115469299999994
_cell_angle_gamma 24.612645530000012
_space... |
MoveTowardsAtomAction | e2274355-128b-40ac-b01a-158f49fa59bc | mp-1200470 | Move the atom at index 4 towards the atom at index 32 by 0.31 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Co8Sn26
_chemical_formula_sum "Ca6 Co8 Sn26"
_cell_length_a 9.639199
_cell_length_b 9.639199
_cell_length_c 9.639199
_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 Ca6Co8Sn26
_chemical_formula_sum "Ca6 Co8 Sn26"
_cell_length_a 9.639199
_cell_length_b 9.639199
_cell_length_c 9.639199
_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 | 4f756b54-eaa0-450e-acd0-df9edb80ab0e | mp-1208510 | Move the atom at index 0 towards the atom at index 1 by 0.893 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2YFe3O8
_chemical_formula_sum "Sr2 Y1 Fe3 O8"
_cell_length_a 3.90931
_cell_length_b 3.90931
_cell_length_c 11.948726
_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 Sr2YFe3O8
_chemical_formula_sum "Sr2 Y1 Fe3 O8"
_cell_length_a 3.90931
_cell_length_b 3.90931
_cell_length_c 11.948726
_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 | cd0fb549-0e82-41d5-b67b-e1249d92b1d0 | mp-1195087 | Move the atom at index 9 towards the atom at index 6 by 1.851 angstrom in the cif file. | data_image0
_chemical_formula_structural Tl16Pb4Se12
_chemical_formula_sum "Tl16 Pb4 Se12"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_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 Tl16Pb4Se12
_chemical_formula_sum "Tl16 Pb4 Se12"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | b0fd0f86-acb6-4834-afbb-eb2bf8e1bf19 | mp-5861 | Move the atom at index 9 towards the atom at index 40 by 1.419 angstrom in the cif file. | data_image0
_chemical_formula_structural Tm8Fe56B4
_chemical_formula_sum "Tm8 Fe56 B4"
_cell_length_a 8.709902
_cell_length_b 8.709902
_cell_length_c 11.818414
_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 Tm8Fe56B4
_chemical_formula_sum "Tm8 Fe56 B4"
_cell_length_a 8.709902
_cell_length_b 8.709902
_cell_length_c 11.818414
_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 | c38519a8-1e3d-428e-b0c9-537081e7d2a1 | mp-1199296 | Move the atom at index 0 towards the atom at index 6 by 0.115 angstrom in the cif file. | data_image0
_chemical_formula_structural Gd5P12Ru19
_chemical_formula_sum "Gd5 P12 Ru19"
_cell_length_a 12.47882132
_cell_length_b 12.47876775
_cell_length_c 3.97836817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99985794
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Gd5P12Ru19
_chemical_formula_sum "Gd5 P12 Ru19"
_cell_length_a 12.47882132
_cell_length_b 12.47876775
_cell_length_c 3.97836817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99985794
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | f2a3e10f-abe5-42ce-8716-381ce50dd62a | mp-1213886 | Move the atom at index 21 towards the atom at index 6 by 2.595 angstrom in the cif file. | data_image0
_chemical_formula_structural Ce8Tl8F40
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ce8Tl8F40
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... |
MoveTowardsAtomAction | a7de505c-7fb6-44df-9a96-92cb1c2633eb | mp-1104546 | Move the atom at index 13 towards the atom at index 8 by 0.954 angstrom in the cif file. | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... |
MoveTowardsAtomAction | f943f46e-3b4f-4afe-a557-a606e3c13a3f | mp-1644899 | Move the atom at index 31 towards the atom at index 33 by 1.564 angstrom in the cif file. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... |
MoveTowardsAtomAction | 0028ae7e-4ebe-4b1f-9f87-cc7e64af3663 | mp-1247503 | Move the atom at index 2 towards the atom at index 9 by 1.346 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Cu2N4
_chemical_formula_sum "Mn4 Cu2 N4"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Mn4Cu2N4
_chemical_formula_sum "Mn4 Cu2 N4"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
MoveTowardsAtomAction | aa9cde4e-a501-4eee-9c50-1da77dd0afb6 | mp-1033104 | Move the atom at index 1 towards the atom at index 8 by 1.729 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6AlZnO8
_chemical_formula_sum "Mg6 Al1 Zn1 O8"
_cell_length_a 8.5797983
_cell_length_b 4.30447278
_cell_length_c 4.30447278
_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 Mg6AlZnO8
_chemical_formula_sum "Mg6 Al1 Zn1 O8"
_cell_length_a 8.5797983
_cell_length_b 4.30447278
_cell_length_c 4.30447278
_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 | 0fa44b5e-a3c7-4b51-99ea-74c26216acac | mp-1019708 | Move the atom at index 33 towards the atom at index 28 by 2.963 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O28
_chemical_formula_sum "Cs4 Ba4 Li4 P8 O28"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O28
_chemical_formula_sum "Cs4 Ba4 Li4 P8 O28"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
MoveTowardsAtomAction | 18d9af54-78db-4808-a225-412a81702d70 | mp-780331 | Move the atom at index 3 towards the atom at index 5 by 2.42 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.107436
_cell_length_b 11.530895760000002
_cell_length_c 6.081616399999999
_cell_angle_alpha 90.04130526
_cell_angle_beta 89.99877151
_cell_angle_gamma 89.99512489
... | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.107436
_cell_length_b 11.530895760000002
_cell_length_c 6.081616399999999
_cell_angle_alpha 90.04130526
_cell_angle_beta 89.99877151
_cell_angle_gamma 89.99512489
... |
MoveTowardsAtomAction | 1681b11a-d228-4f38-be44-4f12a91954b4 | mp-540267 | Move the atom at index 4 towards the atom at index 16 by 2.834 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... |
MoveTowardsAtomAction | f92b8e72-e4cc-412a-b828-a4a3524b97c9 | mp-1147737 | Move the atom at index 7 towards the atom at index 10 by 1.847 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... |
MoveTowardsAtomAction | a7fc87b5-77ca-4926-af5b-a2ea64f83f85 | mp-1193573 | Move the atom at index 19 towards the atom at index 16 by 2.952 angstrom in the cif file. | data_image0
_chemical_formula_structural Eu2Ni18Ge8
_chemical_formula_sum "Eu2 Ni18 Ge8"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.121445739999... | data_image0
_chemical_formula_structural Eu2Ni18Ge8
_chemical_formula_sum "Eu2 Ni18 Ge8"
_cell_length_a 8.19732231
_cell_length_b 8.19732231
_cell_length_c 8.19732231
_cell_angle_alpha 121.67561897999998
_cell_angle_beta 121.67561897999998
_cell_angle_gamma 87.121445739999... |
MoveTowardsAtomAction | 29048940-7584-4720-882a-ed8d0f095253 | mp-755181 | Move the atom at index 13 towards the atom at index 12 by 2.205 angstrom in the cif file. | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... |
MoveTowardsAtomAction | f1945a58-6565-4661-b16c-068c69742598 | mp-1103845 | Move the atom at index 1 towards the atom at index 3 by 0.527 angstrom in the cif file. | data_image0
_chemical_formula_structural Co2S2O10
_chemical_formula_sum "Co2 S2 O10"
_cell_length_a 5.24041662
_cell_length_b 5.24041662
_cell_length_c 7.340449699999999
_cell_angle_alpha 108.82113058999998
_cell_angle_beta 108.82113058999998
_cell_angle_gamma 97.5566005
... | data_image0
_chemical_formula_structural Co2S2O10
_chemical_formula_sum "Co2 S2 O10"
_cell_length_a 5.24041662
_cell_length_b 5.24041662
_cell_length_c 7.340449699999999
_cell_angle_alpha 108.82113058999998
_cell_angle_beta 108.82113058999998
_cell_angle_gamma 97.5566005
... |
MoveTowardsAtomAction | 7972e0d6-cd8c-4ee0-9867-53267addb9fc | mp-1216936 | Move the atom at index 3 towards the atom at index 8 by 0.666 angstrom in the cif file. | data_image0
_chemical_formula_structural U4TeSe7
_chemical_formula_sum "U4 Te1 Se7"
_cell_length_a 4.170615
_cell_length_b 7.613506
_cell_length_c 9.15650564
_cell_angle_alpha 89.56521396000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural U4TeSe7
_chemical_formula_sum "U4 Te1 Se7"
_cell_length_a 4.170615
_cell_length_b 7.613506
_cell_length_c 9.15650564
_cell_angle_alpha 89.56521396000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveTowardsAtomAction | d5835fb7-aff8-4fca-956f-55942e0adb91 | mp-734561 | Move the atom at index 21 towards the atom at index 28 by 1.833 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb6P6H8O24
_chemical_formula_sum "Rb6 P6 H8 O24"
_cell_length_a 8.708768
_cell_length_b 9.72170004
_cell_length_c 9.78200371
_cell_angle_alpha 119.44829971
_cell_angle_beta 111.72985164999999
_cell_angle_gamma 86.26054615
_space_gr... | data_image0
_chemical_formula_structural Rb6P6H8O24
_chemical_formula_sum "Rb6 P6 H8 O24"
_cell_length_a 8.708768
_cell_length_b 9.72170004
_cell_length_c 9.78200371
_cell_angle_alpha 119.44829971
_cell_angle_beta 111.72985164999999
_cell_angle_gamma 86.26054615
_space_gr... |
MoveTowardsAtomAction | d09e8905-5c9d-46a4-9c93-07a77f6f59d9 | mp-1110620 | Move the atom at index 7 towards the atom at index 1 by 2.598 angstrom in the cif file. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... |
MoveTowardsAtomAction | 31479525-ca8b-49ee-94f0-7108cb5b446f | mp-695890 | Move the atom at index 2 towards the atom at index 24 by 1.75 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg20Si6H8O36
_chemical_formula_sum "Mg20 Si6 H8 O36"
_cell_length_a 5.163712
_cell_length_b 8.828419
_cell_length_c 14.134205
_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 Mg20Si6H8O36
_chemical_formula_sum "Mg20 Si6 H8 O36"
_cell_length_a 5.163712
_cell_length_b 8.828419
_cell_length_c 14.134205
_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 | e0627c1a-81c0-48c1-8b5b-b915314ef5f1 | mp-2228948 | Move the atom at index 2 towards the atom at index 3 by 2.165 angstrom in the cif file. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... |
MoveTowardsAtomAction | f2ee2254-90eb-4a6a-9c74-d8ac3ecc4d72 | mp-1045731 | Move the atom at index 72 towards the atom at index 71 by 0.777 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... |
MoveTowardsAtomAction | ed263a92-0b64-48d2-9f35-10d73809994d | mp-800838 | Move the atom at index 21 towards the atom at index 39 by 0.302 angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2Al2P4H30O30
_chemical_formula_sum "Mn2 Al2 P4 H30 O30"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.03570302
... | data_image0
_chemical_formula_structural Mn2Al2P4H30O30
_chemical_formula_sum "Mn2 Al2 P4 H30 O30"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.03570302
... |
MoveTowardsAtomAction | 14fe7267-b70f-4f44-9637-c4dd88061634 | mp-556061 | Move the atom at index 42 towards the atom at index 41 by 2.862 angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Sb8F44
_chemical_formula_sum "Cs4 Sb8 F44"
_cell_length_a 14.12716114
_cell_length_b 7.66997476
_cell_length_c 9.43926264
_cell_angle_alpha 65.52848727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cs4Sb8F44
_chemical_formula_sum "Cs4 Sb8 F44"
_cell_length_a 14.12716114
_cell_length_b 7.66997476
_cell_length_c 9.43926264
_cell_angle_alpha 65.52848727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveTowardsAtomAction | f8de3488-5ffe-4173-8ffb-38156ac0c8d2 | mp-1042925 | Move the atom at index 26 towards the atom at index 7 by 1.292 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4V4As8O28
_chemical_formula_sum "Ca4 V4 As8 O28"
_cell_length_a 8.578659
_cell_length_b 8.136143
_cell_length_c 10.65287533
_cell_angle_alpha 60.72981673999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ca4V4As8O28
_chemical_formula_sum "Ca4 V4 As8 O28"
_cell_length_a 8.578659
_cell_length_b 8.136143
_cell_length_c 10.65287533
_cell_angle_alpha 60.72981673999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveTowardsAtomAction | f942ff56-0362-45a9-bd9f-b188a2dd80d5 | mp-1207874 | Move the atom at index 2 towards the atom at index 8 by 0.328 angstrom in the cif file. | data_image0
_chemical_formula_structural Y6Si7Ni16
_chemical_formula_sum "Y6 Si7 Ni16"
_cell_length_a 8.3055221
_cell_length_b 8.3055221
_cell_length_c 8.3055221
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... | data_image0
_chemical_formula_structural Y6Si7Ni16
_chemical_formula_sum "Y6 Si7 Ni16"
_cell_length_a 8.3055221
_cell_length_b 8.3055221
_cell_length_c 8.3055221
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... |
MoveTowardsAtomAction | b09c0270-bbea-4cf2-936b-5195ad33421b | mp-17777 | Move the atom at index 2 towards the atom at index 33 by 1.756 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr10As6O24F2
_chemical_formula_sum "Sr10 As6 O24 F2"
_cell_length_a 10.16641641
_cell_length_b 10.16641641
_cell_length_c 7.49607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000270000001
_space_group_name_H... | data_image0
_chemical_formula_structural Sr10As6O24F2
_chemical_formula_sum "Sr10 As6 O24 F2"
_cell_length_a 10.16641641
_cell_length_b 10.16641641
_cell_length_c 7.49607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000270000001
_space_group_name_H... |
MoveTowardsAtomAction | b7c5bed0-2fea-4889-860b-9dc68188c597 | mp-697253 | Move the atom at index 25 towards the atom at index 21 by 1.605 angstrom in the cif file. | data_image0
_chemical_formula_structural SiH12C2N6F6
_chemical_formula_sum "Si1 H12 C2 N6 F6"
_cell_length_a 7.34302716
_cell_length_b 7.34302716
_cell_length_c 6.25315057
_cell_angle_alpha 69.1722045
_cell_angle_beta 69.1722045
_cell_angle_gamma 59.76569175
_space_group_... | data_image0
_chemical_formula_structural SiH12C2N6F6
_chemical_formula_sum "Si1 H12 C2 N6 F6"
_cell_length_a 7.34302716
_cell_length_b 7.34302716
_cell_length_c 6.25315057
_cell_angle_alpha 69.1722045
_cell_angle_beta 69.1722045
_cell_angle_gamma 59.76569175
_space_group_... |
MoveTowardsAtomAction | b3458af3-1c3c-4e9f-87ef-8f309998ac2d | mp-16491 | Move the atom at index 6 towards the atom at index 0 by 0.141 angstrom in the cif file. | data_image0
_chemical_formula_structural SrAl9Co2
_chemical_formula_sum "Sr1 Al9 Co2"
_cell_length_a 7.84298531
_cell_length_b 7.84298407
_cell_length_c 3.89742083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000106999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural SrAl9Co2
_chemical_formula_sum "Sr1 Al9 Co2"
_cell_length_a 7.84298531
_cell_length_b 7.84298407
_cell_length_c 3.89742083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000106999998
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 159eaada-09b5-422c-874b-551ec1bc388e | mp-1194512 | Move the atom at index 6 towards the atom at index 1 by 2.449 angstrom in the cif file. | data_image0
_chemical_formula_structural V4Cu6O18
_chemical_formula_sum "V4 Cu6 O18"
_cell_length_a 6.556707
_cell_length_b 7.60968
_cell_length_c 7.78715794
_cell_angle_alpha 86.45493427
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural V4Cu6O18
_chemical_formula_sum "V4 Cu6 O18"
_cell_length_a 6.556707
_cell_length_b 7.60968
_cell_length_c 7.78715794
_cell_angle_alpha 86.45493427
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveTowardsAtomAction | 5d27ebee-ec8e-464e-932c-a88f3e33c360 | mp-1196678 | Move the atom at index 3 towards the atom at index 19 by 2.301 angstrom in the cif file. | data_image0
_chemical_formula_structural In4Ag4P8H8O32
_chemical_formula_sum "In4 Ag4 P8 H8 O32"
_cell_length_a 6.71893036
_cell_length_b 6.77223216
_cell_length_c 14.998627
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.62467366
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural In4Ag4P8H8O32
_chemical_formula_sum "In4 Ag4 P8 H8 O32"
_cell_length_a 6.71893036
_cell_length_b 6.77223216
_cell_length_c 14.998627
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.62467366
_space_group_name_H-M_a... |
MoveTowardsAtomAction | 035033c1-c4c7-4c31-a2aa-c6a23d113f1c | mp-23963 | Move the atom at index 9 towards the atom at index 11 by 0.442 angstrom in the cif file. | data_image0
_chemical_formula_structural H4I4O12
_chemical_formula_sum "H4 I4 O12"
_cell_length_a 5.716437
_cell_length_b 5.890396
_cell_length_c 8.00416
_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 H4I4O12
_chemical_formula_sum "H4 I4 O12"
_cell_length_a 5.716437
_cell_length_b 5.890396
_cell_length_c 8.00416
_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 | a75ce1b0-0176-4fbe-be25-0875ecbfb64c | mp-1228061 | Move the atom at index 2 towards the atom at index 4 by 1.654 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveTowardsAtomAction | 6871fc75-468d-4f39-9c29-aa8d5bf3831e | mp-1342975 | Move the atom at index 21 towards the atom at index 2 by 1.811 angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Ni8O16
_chemical_formula_sum "Ca4 Ni8 O16"
_cell_length_a 4.95341487
_cell_length_b 5.823023299999999
_cell_length_c 10.85513397
_cell_angle_alpha 94.38458175999999
_cell_angle_beta 90.01604898
_cell_angle_gamma 89.99700022
_spa... | data_image0
_chemical_formula_structural Ca4Ni8O16
_chemical_formula_sum "Ca4 Ni8 O16"
_cell_length_a 4.95341487
_cell_length_b 5.823023299999999
_cell_length_c 10.85513397
_cell_angle_alpha 94.38458175999999
_cell_angle_beta 90.01604898
_cell_angle_gamma 89.99700022
_spa... |
MoveTowardsAtomAction | d9403c0c-5cb9-4eef-a8df-3bc8a6ab935c | mp-1028276 | Move the atom at index 15 towards the atom at index 14 by 0.991 angstrom in the cif file. | data_image0
_chemical_formula_structural KMg14Sn
_chemical_formula_sum "K1 Mg14 Sn1"
_cell_length_a 6.48083808
_cell_length_b 6.48083754
_cell_length_c 10.86105586
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000276
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg14Sn
_chemical_formula_sum "K1 Mg14 Sn1"
_cell_length_a 6.48083808
_cell_length_b 6.48083754
_cell_length_c 10.86105586
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000276
_space_group_name_H-M_alt "P ... |
MoveTowardsAtomAction | 47f5ff4d-0fda-44f4-a239-8dd7810cd990 | mp-1238837 | Move the atom at index 24 towards the atom at index 46 by 0.591 angstrom in the cif file. | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... |
MoveTowardsAtomAction | 59a4af23-e283-4661-aa5b-93bce0737979 | mp-561248 | Move the atom at index 30 towards the atom at index 22 by 1.279 angstrom in the cif file. | data_image0
_chemical_formula_structural Sm8Cu8Te8S8
_chemical_formula_sum "Sm8 Cu8 Te8 S8"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_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 Sm8Cu8Te8S8
_chemical_formula_sum "Sm8 Cu8 Te8 S8"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_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 | 83269056-0bf1-4edd-91b4-c8e464491500 | mp-7492 | Move the atom at index 3 towards the atom at index 5 by 0.513 angstrom in the cif file. | data_image0
_chemical_formula_structural La2B2O6
_chemical_formula_sum "La2 B2 O6"
_cell_length_a 4.17942406
_cell_length_b 5.08865142
_cell_length_c 6.314355319999999
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2B2O6
_chemical_formula_sum "La2 B2 O6"
_cell_length_a 4.17942406
_cell_length_b 5.08865142
_cell_length_c 6.314355319999999
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 8cffe080-ca83-498c-a5cf-8c8105d1ba93 | mp-767328 | Move the atom at index 35 towards the atom at index 28 by 1.41 angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Fe5Si7O24
_chemical_formula_sum "Li5 Fe5 Si7 O24"
_cell_length_a 7.864131
_cell_length_b 7.94624588
_cell_length_c 9.50522826
_cell_angle_alpha 89.03556867999998
_cell_angle_beta 89.68223595
_cell_angle_gamma 89.50975027000001
_... | data_image0
_chemical_formula_structural Li5Fe5Si7O24
_chemical_formula_sum "Li5 Fe5 Si7 O24"
_cell_length_a 7.864131
_cell_length_b 7.94624588
_cell_length_c 9.50522826
_cell_angle_alpha 89.03556867999998
_cell_angle_beta 89.68223595
_cell_angle_gamma 89.50975027000001
_... |
MoveTowardsAtomAction | 504b9230-2c31-4231-aedb-239bf695df7e | mp-1147737 | Move the atom at index 13 towards the atom at index 8 by 1.98 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... |
MoveTowardsAtomAction | 27c48e26-26a8-4bff-aea4-82c90a157279 | mp-1046667 | Move the atom at index 4 towards the atom at index 2 by 2.101 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Co2P2O10
_chemical_formula_sum "Mg2 Co2 P2 O10"
_cell_length_a 5.289674
_cell_length_b 5.34162801
_cell_length_c 6.813073880000001
_cell_angle_alpha 104.21338557
_cell_angle_beta 103.98050196
_cell_angle_gamma 102.46780101999998
... | data_image0
_chemical_formula_structural Mg2Co2P2O10
_chemical_formula_sum "Mg2 Co2 P2 O10"
_cell_length_a 5.289674
_cell_length_b 5.34162801
_cell_length_c 6.813073880000001
_cell_angle_alpha 104.21338557
_cell_angle_beta 103.98050196
_cell_angle_gamma 102.46780101999998
... |
MoveTowardsAtomAction | 17fc7f0c-164d-407f-b81f-4af92a3c37b3 | mp-1198574 | Move the atom at index 40 towards the atom at index 50 by 1.689 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 | c3e49e9a-b185-4d9c-b5b2-130d336aefc9 | mp-2646935 | Move the atom at index 2 towards the atom at index 16 by 0.86 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Gd2Ru2O12
_chemical_formula_sum "Ba4 Gd2 Ru2 O12"
_cell_length_a 6.01122416
_cell_length_b 6.001117
_cell_length_c 8.486485860000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.01897810999999
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Ba4Gd2Ru2O12
_chemical_formula_sum "Ba4 Gd2 Ru2 O12"
_cell_length_a 6.01122416
_cell_length_b 6.001117
_cell_length_c 8.486485860000002
_cell_angle_alpha 90.0
_cell_angle_beta 90.01897810999999
_cell_angle_gamma 90.0
_space_group_n... |
MoveTowardsAtomAction | 49d395e8-d352-41e3-8ca2-a6fa40ad14b6 | mp-568136 | Move the atom at index 2 towards the atom at index 14 by 0.25 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 | c4d38f3d-71cf-4037-8da6-d61938a49eec | mp-541140 | Move the atom at index 7 towards the atom at index 10 by 2.96 angstrom in the cif file. | data_image0
_chemical_formula_structural Tl12Fe8S16
_chemical_formula_sum "Tl12 Fe8 S16"
_cell_length_a 7.482301
_cell_length_b 10.642815
_cell_length_c 11.309137
_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 Tl12Fe8S16
_chemical_formula_sum "Tl12 Fe8 S16"
_cell_length_a 7.482301
_cell_length_b 10.642815
_cell_length_c 11.309137
_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 | e9c407c4-22ca-410a-9844-fb78ca62ad53 | mp-1211422 | Move the atom at index 5 towards the atom at index 6 by 2.2 angstrom in the cif file. | data_image0
_chemical_formula_structural K2Pt2Br6N2
_chemical_formula_sum "K2 Pt2 Br6 N2"
_cell_length_a 9.58838848
_cell_length_b 9.58838848
_cell_length_c 9.787549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 152.24681613
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural K2Pt2Br6N2
_chemical_formula_sum "K2 Pt2 Br6 N2"
_cell_length_a 9.58838848
_cell_length_b 9.58838848
_cell_length_c 9.787549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 152.24681613
_space_group_name_H-M_alt "... |
MoveTowardsAtomAction | 5232d974-e715-4c02-a413-a0c55f0a2326 | mp-1046883 | Move the atom at index 4 towards the atom at index 8 by 0.767 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Bi4O8
_chemical_formula_sum "Mg2 Bi4 O8"
_cell_length_a 6.83391127
_cell_length_b 6.83391127
_cell_length_c 6.83391127
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Mg2Bi4O8
_chemical_formula_sum "Mg2 Bi4 O8"
_cell_length_a 6.83391127
_cell_length_b 6.83391127
_cell_length_c 6.83391127
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... |
MoveTowardsAtomAction | 86555586-2f96-46f7-a82a-9a214d9d1ed4 | mp-1197135 | Move the atom at index 25 towards the atom at index 30 by 1.71 angstrom in the cif file. | data_image0
_chemical_formula_structural La2N6O26
_chemical_formula_sum "La2 N6 O26"
_cell_length_a 11.044924
_cell_length_b 6.615585
_cell_length_c 6.69261613
_cell_angle_alpha 82.91353791
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural La2N6O26
_chemical_formula_sum "La2 N6 O26"
_cell_length_a 11.044924
_cell_length_b 6.615585
_cell_length_c 6.69261613
_cell_angle_alpha 82.91353791
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveTowardsAtomAction | 4bacf87c-7597-47db-8aa1-f3eb927cdacf | mp-1222894 | Move the atom at index 0 towards the atom at index 10 by 0.512 angstrom in the cif file. | data_image0
_chemical_formula_structural LaNd3Ga4O12
_chemical_formula_sum "La1 Nd3 Ga4 O12"
_cell_length_a 7.82341
_cell_length_b 5.485925
_cell_length_c 5.59864177
_cell_angle_alpha 89.93353099000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural LaNd3Ga4O12
_chemical_formula_sum "La1 Nd3 Ga4 O12"
_cell_length_a 7.82341
_cell_length_b 5.485925
_cell_length_c 5.59864177
_cell_angle_alpha 89.93353099000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | c66ecd2a-54bd-46db-a8c9-5b65055fe62c | mp-756993 | Move the atom at index 11 towards the atom at index 13 by 2.433 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... |
MoveTowardsAtomAction | a5609f4a-f52a-403c-8370-7068d9090de5 | mp-1032153 | Move the atom at index 5 towards the atom at index 12 by 1.191 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6CoCuO8
_chemical_formula_sum "Mg6 Co1 Cu1 O8"
_cell_length_a 8.61077705
_cell_length_b 4.20526714
_cell_length_c 4.20526714
_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 Mg6CoCuO8
_chemical_formula_sum "Mg6 Co1 Cu1 O8"
_cell_length_a 8.61077705
_cell_length_b 4.20526714
_cell_length_c 4.20526714
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveTowardsAtomAction | 60d735eb-0564-4656-875e-d82e341820c4 | mp-1195727 | Move the atom at index 35 towards the atom at index 20 by 1.3 angstrom in the cif file. | data_image0
_chemical_formula_structural K8Ca2U2Si8O28
_chemical_formula_sum "K8 Ca2 U2 Si8 O28"
_cell_length_a 9.39128534
_cell_length_b 9.39128534
_cell_length_c 8.34630883
_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 K8Ca2U2Si8O28
_chemical_formula_sum "K8 Ca2 U2 Si8 O28"
_cell_length_a 9.39128534
_cell_length_b 9.39128534
_cell_length_c 8.34630883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 6fa9ed6f-2ce1-43d2-903c-05578ee43cad | mp-780778 | Move the atom at index 24 towards the atom at index 62 by 1.453 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn14P16O56
_chemical_formula_sum "Li4 Mn14 P16 O56"
_cell_length_a 6.67202827
_cell_length_b 6.67202827
_cell_length_c 24.49121
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.39535415999998
_space_group_name_H... | data_image0
_chemical_formula_structural Li4Mn14P16O56
_chemical_formula_sum "Li4 Mn14 P16 O56"
_cell_length_a 6.67202827
_cell_length_b 6.67202827
_cell_length_c 24.49121
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.39535415999998
_space_group_name_H... |
MoveTowardsAtomAction | 181e1edf-2980-4708-9dac-e428890fdbff | mp-1358572 | Move the atom at index 1 towards the atom at index 14 by 0.497 angstrom in the cif file. | data_image0
_chemical_formula_structural Cr12O24
_chemical_formula_sum "Cr12 O24"
_cell_length_a 5.9435968
_cell_length_b 5.94991424
_cell_length_c 17.67472717
_cell_angle_alpha 59.62416718
_cell_angle_beta 59.74294971
_cell_angle_gamma 59.995245370000006
_space_group_nam... | data_image0
_chemical_formula_structural Cr12O24
_chemical_formula_sum "Cr12 O24"
_cell_length_a 5.9435968
_cell_length_b 5.94991424
_cell_length_c 17.67472717
_cell_angle_alpha 59.62416718
_cell_angle_beta 59.74294971
_cell_angle_gamma 59.995245370000006
_space_group_nam... |
MoveTowardsAtomAction | 2362dcc3-f692-4c35-a2d4-10e0e8b45e72 | mp-9563 | 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 Li12Sb6
_chemical_formula_sum "Li12 Sb6"
_cell_length_a 7.95140499
_cell_length_b 7.9514049899999995
_cell_length_c 6.568351
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000822000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li12Sb6
_chemical_formula_sum "Li12 Sb6"
_cell_length_a 7.95140499
_cell_length_b 7.9514049899999995
_cell_length_c 6.568351
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000822000001
_space_group_name_H-M_al... |
MoveTowardsAtomAction | 6f0fd9b8-d51d-469c-a1db-5950d56f4b18 | mp-1201107 | Move the atom at index 21 towards the atom at index 65 by 0.102 angstrom in the cif file. | data_image0
_chemical_formula_structural Zn2B20H52O16
_chemical_formula_sum "Zn2 B20 H52 O16"
_cell_length_a 6.908729
_cell_length_b 7.43949478
_cell_length_c 18.47887034
_cell_angle_alpha 80.44130898999998
_cell_angle_beta 79.22597710000001
_cell_angle_gamma 62.3332663499... | data_image0
_chemical_formula_structural Zn2B20H52O16
_chemical_formula_sum "Zn2 B20 H52 O16"
_cell_length_a 6.908729
_cell_length_b 7.43949478
_cell_length_c 18.47887034
_cell_angle_alpha 80.44130898999998
_cell_angle_beta 79.22597710000001
_cell_angle_gamma 62.3332663499... |
MoveTowardsAtomAction | 39d043d8-c6a3-4db2-bd24-abef4fba0f29 | mp-758878 | Move the atom at index 9 towards the atom at index 0 by 1.844 angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... |
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