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 |
|---|---|---|---|---|---|
MoveAtomAction | 33d996cb-5708-4c36-b8f3-aae84e214485 | mp-757246 | Move the atom at index 15 by [ 1.499 -1.262 0.32 ] 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
... |
MoveAtomAction | 8902e244-942b-4d75-bab6-6a8b9829b3bd | mp-1516711 | Move the atom at index 4 by [0.449 0.995 1.063] 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 ... |
MoveAtomAction | 8ad4a1fa-383a-49fd-87ed-e71b6f5db1bf | mp-1236137 | Move the atom at index 18 by [-2.462 0.08 3.712] 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... |
MoveAtomAction | 94af393a-c810-4fe8-a1cb-4fe7dd462dbf | mp-771159 | Move the atom at index 0 by [-0.359 -2.389 -1.268] 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... |
MoveAtomAction | cea17b50-f16d-4f5a-bfb4-1899073d9a2a | mp-505712 | Move the atom at index 9 by [-0.086 1.137 -2.035] 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... |
MoveAtomAction | 4967c57d-5520-4d86-9520-ec9e4f434c36 | mp-1193265 | Move the atom at index 11 by [ 0.93 2.35 -1.771] 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"
... |
MoveAtomAction | 56a5add4-8028-40df-b27c-c1cb4ff2b249 | mp-1191147 | Move the atom at index 17 by [-2.92 -2.019 -0.795] 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... |
MoveAtomAction | 99f0f267-0f0e-40af-a88b-5639a8ea5b66 | mp-2236954 | Move the atom at index 3 by [ 0.181 1.28 -3.054] 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... |
MoveAtomAction | 9697635c-18be-4465-895c-b6f78c6615bc | mp-1032565 | Move the atom at index 3 by [-1.109 0.386 1.223] 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"
_... |
MoveAtomAction | bca22cf5-279c-4220-9cd8-39f4a4d091e3 | mp-1079659 | Move the atom at index 4 by [ 2.312 -1.609 -2.145] 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... |
MoveAtomAction | 51e22b85-e7d9-414e-aaa0-c9370c852bcc | mp-753901 | Move the atom at index 3 by [ 0.523 -4.465 1.784] 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_... |
MoveAtomAction | 1503b70c-b783-44a2-9467-86a3cbfbd8c8 | mp-863373 | Move the atom at index 72 by [2.791 4.253 0.613] 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... |
MoveAtomAction | e76a939e-a5eb-401e-aeae-c11cf31336b9 | mp-31691 | Move the atom at index 17 by [-2.069 -2.935 -0.417] 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
... |
MoveAtomAction | df1df3fd-404c-423d-870f-fc1ad1c35162 | mp-1233765 | Move the atom at index 25 by [-4.47 3.216 -1.068] 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... |
MoveAtomAction | 2083af75-aecd-43ee-b03b-8b785e9c51b2 | mp-1104062 | Move the atom at index 5 by [ 1.843 -2.56 1.695] 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... |
MoveAtomAction | be6d6148-7fbc-414c-bc70-ea4002d680cb | mp-1223078 | Move the atom at index 11 by [0.563 0.848 4.798] 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_... |
MoveAtomAction | b2781cb2-ea25-452c-bdc7-b942e16e714f | mp-1079383 | Move the atom at index 9 by [-0.227 -2.511 -0.223] 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... |
MoveAtomAction | 87117567-40dd-44f4-9fe0-f86d47a76080 | mp-753944 | Move the atom at index 9 by [-1.919 -0.602 0.308] 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_... |
MoveAtomAction | 554a2efa-6fa1-4046-9dd1-c5449be21b04 | mp-557540 | Move the atom at index 20 by [-3.067 -0.84 2.12 ] 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-... |
MoveAtomAction | c0791d65-debd-4ef5-ba7f-b410dd9474d5 | mp-1239127 | Move the atom at index 1 by [ 0.145 -3.821 -2.589] 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... |
MoveAtomAction | 6058ce78-d2e1-42ea-8f46-102e97759dd1 | mp-2215902 | Move the atom at index 6 by [ 2.623 -3.294 0.594] 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... |
MoveAtomAction | 4247a767-0da5-49f9-9b98-37cab5b910ba | mp-21286 | Move the atom at index 2 by [-1.414 1.841 1.248] 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 ... |
MoveAtomAction | 11258893-a634-4a43-a188-0a74fbff13f2 | mp-770748 | Move the atom at index 10 by [-0.286 4.628 -0.177] 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_... |
MoveAtomAction | bb11ed18-9fe3-4d81-82b6-c4483094af9a | mp-1212973 | Move the atom at index 8 by [-2.422 1.213 -2.419] 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
_... |
MoveAtomAction | 8328d3e5-fb53-4911-8b83-aa13be08e77d | mp-1181553 | Move the atom at index 9 by [0.433 0.059 3.585] 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... |
MoveAtomAction | 9e6b7ca0-b3ce-4c16-aecd-2c97d79d7c9d | mp-1193684 | Move the atom at index 5 by [ 0.77 -2.233 5.354] 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... |
MoveAtomAction | 053b4cf8-5945-4dcf-ac56-4a15a53af694 | mp-23792 | Move the atom at index 23 by [ 0.283 0.253 -2.099] 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
_... |
MoveAtomAction | a8c66755-20b8-4a40-a57f-10135c4e4379 | mp-613 | Move the atom at index 4 by [ 2.156 -2.524 -0.068] 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... |
MoveAtomAction | 4755911a-4edf-44fc-9208-f5966e8684b3 | mp-1194067 | Move the atom at index 24 by [-3.858 -0.198 -1.19 ] 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_... |
MoveAtomAction | a7ab2b52-80f3-407c-b86a-c435a3093fb4 | mp-1228692 | Move the atom at index 0 by [ 3.57 5.432 -2.664] 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... |
MoveAtomAction | 85e4de2c-a791-41bd-a499-10f2f436beaf | mp-2217543 | Move the atom at index 6 by [-1.083 -0.712 0.34 ] 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... |
MoveAtomAction | 05edefda-06a6-4a0e-b2e3-b57097ebde8c | mp-1204580 | Move the atom at index 12 by [ 3.878 -2.645 -0.446] 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_... |
MoveAtomAction | ddfd9ec5-6aa9-422b-b1cb-e5b199b886c3 | mp-1041307 | Move the atom at index 2 by [ 3.263 1.685 -1.782] 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 ... |
MoveAtomAction | 03824c1c-1924-4ea2-be7a-07a2510aca58 | mp-758242 | Move the atom at index 27 by [ 0.205 -0.579 -2.867] 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... |
MoveAtomAction | 9a5145df-338a-4e18-920b-36ac86aa3ae6 | mp-1209592 | Move the atom at index 3 by [ 1.705 -1.181 -4.059] 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_... |
MoveAtomAction | 0ecd36df-4657-434f-860d-351a83f59a86 | mp-600520 | Move the atom at index 3 by [ 1.532 -0.106 5.652] 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 ... |
MoveAtomAction | fee9c25c-14f7-43d3-8535-32f4e2931ea2 | mp-768946 | Move the atom at index 29 by [0.312 1. 0.786] 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... |
MoveAtomAction | 8e49e4f9-e9d8-43f4-aea2-e907c4c65140 | mp-1233765 | Move the atom at index 18 by [-0.182 0.927 0.952] 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... |
MoveAtomAction | 7df10584-64a0-45bd-9959-955bc93faceb | mp-1638898 | Move the atom at index 19 by [ 0.277 -2.183 4.171] 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... |
MoveAtomAction | e1552700-c05c-4722-9118-7c8f12b1c5cf | mp-1522800 | Move the atom at index 5 by [-0.166 0.3 0.681] 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 ... |
MoveAtomAction | 1221b8a7-486b-4f93-ba84-aa88e6968f3a | mp-696283 | Move the atom at index 4 by [-3.911 -0.505 -0.088] 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... |
MoveAtomAction | 41e1c361-3026-40ed-96b4-29d679c096cc | mp-2898998 | Move the atom at index 1 by [-0.811 0.642 -0.662] 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... |
MoveAtomAction | 81d301b4-daf3-4221-b1dd-e1e856160a2b | mp-1200470 | Move the atom at index 0 by [ 2.149 0.167 -0.247] 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... |
MoveAtomAction | c3d110a4-3f94-4452-8666-af769a33c496 | mp-1208510 | Move the atom at index 6 by [-0.784 -2.219 -1.637] 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... |
MoveAtomAction | e9a79569-23b4-46d2-a343-7941a65ac2b9 | mp-1195087 | Move the atom at index 14 by [-0.412 0.189 -0.32 ] 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"... |
MoveAtomAction | 339288a7-95a6-4f3b-861c-668be9eccd63 | mp-5861 | Move the atom at index 24 by [1.28 2.46 3.031] 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... |
MoveAtomAction | 05ad948b-eb28-4a81-8714-46d043524fd2 | mp-1199296 | Move the atom at index 27 by [-0.001 -0.55 -0.054] 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 ... |
MoveAtomAction | 93636acf-c98a-4a59-9cc4-b1855678c203 | mp-1213886 | Move the atom at index 18 by [1.793 0.492 2.304] 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... |
MoveAtomAction | a1071a65-b2fb-49ff-94be-114d7d49bb6a | mp-1104546 | Move the atom at index 3 by [-1.463 5.834 -0.088] 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... |
MoveAtomAction | 1bb3a372-37b1-43c4-baaa-65e22e27950f | mp-1644899 | Move the atom at index 36 by [-2.471 -0.687 0.839] 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... |
MoveAtomAction | fe7af4b4-ffcc-4ddf-8f70-ca3e702561bd | mp-1247503 | Move the atom at index 5 by [-1.35 1.916 -4.421] 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... |
MoveAtomAction | 9678549c-1ac0-4a27-a5fa-7cac85dbd772 | mp-1033104 | Move the atom at index 5 by [-1.478 -0.536 0.422] 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... |
MoveAtomAction | 939ca7f0-697e-49d6-9a62-d5acf52f087d | mp-1019708 | Move the atom at index 31 by [ 1.636 -2.134 -0.968] 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... |
MoveAtomAction | 452fb006-be5b-48d2-85aa-de2b950fd40c | mp-780331 | Move the atom at index 2 by [-4.6 2.299 0.376] 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
... |
MoveAtomAction | 9807c272-9f04-49cd-a193-5619003fb528 | mp-540267 | Move the atom at index 19 by [-2.705 0.68 -2.298] 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... |
MoveAtomAction | f276d24a-6eaf-4d94-bdde-f3d23e8eda10 | mp-1147737 | Move the atom at index 7 by [ 2.446 -1.885 -1.658] 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... |
MoveAtomAction | ab62ce34-3157-4881-873f-1ba006ef3855 | mp-1193573 | Move the atom at index 20 by [ 2.912 -0.288 0.499] 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... |
MoveAtomAction | d73fd77b-d674-4da8-8f87-f88fbb0f0bb6 | mp-755181 | Move the atom at index 12 by [ 3.031 -0.959 -0.308] 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_... |
MoveAtomAction | 196c0aad-b470-437e-8ec8-38c3fe3796bb | mp-1103845 | Move the atom at index 6 by [1.403 1.173 0.322] 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
... |
MoveAtomAction | 5b732447-fac2-4f8b-8882-9344eecfcc87 | mp-1216936 | Move the atom at index 6 by [-3.795 -1.034 1.674] 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... |
MoveAtomAction | e305c94b-4444-4f51-be72-6d4846a1bbf1 | mp-734561 | Move the atom at index 32 by [-0.442 -0.501 -0.527] 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... |
MoveAtomAction | 76d8fe78-a3dd-4202-8dde-28f335154eac | mp-1110620 | Move the atom at index 6 by [1.981 1.418 0.163] 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... |
MoveAtomAction | d19223be-fb09-4eb6-9716-cafc381bffde | mp-695890 | Move the atom at index 44 by [0.123 2.295 2.315] 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... |
MoveAtomAction | fc2bd414-7c90-4739-b6f6-7b167881e07b | mp-2228948 | Move the atom at index 5 by [-0.251 -0.432 -2.739] 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... |
MoveAtomAction | fe733622-1ed9-4e26-937e-892b4b272e01 | mp-1045731 | Move the atom at index 76 by [-2.613 2.14 0.265] 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 ... |
MoveAtomAction | de11eef5-ceea-4c1b-bc65-d7b1abb82be2 | mp-800838 | Move the atom at index 44 by [ 1.49 -0.023 2.611] 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
... |
MoveAtomAction | 0ba1caef-f1e4-4c01-9e06-6f500e629041 | mp-556061 | Move the atom at index 55 by [-1.395 -2.018 1.872] 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... |
MoveAtomAction | a22b53fb-1493-4c6c-a460-b1749dfe8265 | mp-1042925 | Move the atom at index 37 by [ 0.668 0.306 -0.658] 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... |
MoveAtomAction | 650ccf95-3ce6-4523-9fa4-1d91ff4b71ac | mp-1207874 | Move the atom at index 15 by [-3.579 1.519 -2.195] 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... |
MoveAtomAction | 3987162e-1680-4a68-a235-ebf9b092f176 | mp-17777 | Move the atom at index 1 by [0.507 1.328 0.383] 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... |
MoveAtomAction | 5266893d-d849-418c-b23a-a121fbbf1cca | mp-697253 | Move the atom at index 5 by [1.31 2.486 2.085] 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_... |
MoveAtomAction | ad76cfa8-ba81-4a02-b8f9-bcd0269e6a50 | mp-16491 | Move the atom at index 3 by [-0.845 3.135 -4.207] 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 ... |
MoveAtomAction | 0d5f32ee-50a9-4856-b431-4a58268da0ea | mp-1194512 | Move the atom at index 22 by [-0.945 2.407 0.125] 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... |
MoveAtomAction | f1e6a0ea-83d3-4c0e-8078-0b1bfb9ca9eb | mp-1196678 | Move the atom at index 16 by [-0.005 -1.504 1.195] 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... |
MoveAtomAction | 4ff54707-9a22-45ce-8617-7e5f291af60b | mp-23963 | Move the atom at index 18 by [ 1.795 4.62 -1.289] 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... |
MoveAtomAction | e39eb121-997e-4bbc-9609-9d4d97f4e565 | mp-1228061 | Move the atom at index 4 by [-2.491 -2.552 -3.697] 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... |
MoveAtomAction | 1f754089-00c3-4619-9054-1bdffafe70b0 | mp-1342975 | Move the atom at index 23 by [-0.625 3.624 2.686] 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... |
MoveAtomAction | 450e05d8-e1d2-49d2-8d2d-e4ce3dccf961 | mp-1028276 | Move the atom at index 14 by [ 3.691 -2.284 -2.623] 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 ... |
MoveAtomAction | 813f331a-df8b-46c6-85b8-6d8714d761ff | mp-1238837 | Move the atom at index 28 by [ 1.16 -1.76 0.538] 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... |
MoveAtomAction | 5858c36a-cb88-41ec-ac51-c73c60cb7166 | mp-561248 | Move the atom at index 5 by [ 0.915 -1.255 -2.527] 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... |
MoveAtomAction | b282e210-6f46-4408-9192-bc9e23a12872 | mp-7492 | Move the atom at index 6 by [-3.224 -0.305 -0.208] 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 ... |
MoveAtomAction | abba5b0a-496d-4d26-a1fa-679eb5a4ae75 | mp-767328 | Move the atom at index 1 by [ 2.05 -1.113 1.69 ] 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
_... |
MoveAtomAction | 1228e6f1-8cbb-4115-aaa5-40b49d185614 | mp-1147737 | Move the atom at index 5 by [-5.199 -0.581 2.568] 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... |
MoveAtomAction | 97715b71-f910-4795-82d3-c92af9d089f3 | mp-1046667 | Move the atom at index 7 by [-2.762 0.543 -0.573] 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
... |
MoveAtomAction | 94f61509-f727-411b-89e5-8142ff729059 | mp-1198574 | Move the atom at index 64 by [-0.215 3.663 -0.938] 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 ... |
MoveAtomAction | d8a8d5e4-df54-4dc8-be19-500c078ca919 | mp-2646935 | Move the atom at index 2 by [-1.228 -1.427 1.655] 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... |
MoveAtomAction | 2046c159-aa44-4a35-a054-d874fc5af7dc | mp-568136 | Move the atom at index 11 by [ 1.544 -2.072 2.841] 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... |
MoveAtomAction | d625c8a6-cdf0-4708-b1d9-7fee58321a82 | mp-541140 | Move the atom at index 13 by [-0.762 1.754 1.102] 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... |
MoveAtomAction | 6904afa3-4cd6-4939-ac41-6222d32fd54e | mp-1211422 | Move the atom at index 8 by [ 1.561 0.236 -2.359] 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 "... |
MoveAtomAction | cc998cf3-9dc3-40b3-bd24-c054f1e64f47 | mp-1046883 | Move the atom at index 5 by [-4.891 -2.428 -1.553] 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
_... |
MoveAtomAction | 423b9f03-01cb-4a3c-984e-c4b107391e09 | mp-1197135 | Move the atom at index 10 by [-2.249 0.232 -1.667] 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... |
MoveAtomAction | c4c0c2ff-b00b-4ff0-8c51-4e6afd10bdfd | mp-1222894 | Move the atom at index 8 by [-3.192 -0.22 -0.02 ] 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... |
MoveAtomAction | c741c180-b2b1-4439-bbbf-7b142c1ba841 | mp-756993 | Move the atom at index 20 by [-0.038 -1.045 1.741] 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... |
MoveAtomAction | 69e124eb-e553-438d-929d-6f3df2a1c887 | mp-1032153 | Move the atom at index 8 by [-1.541 -2.946 1.4 ] 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"
_... |
MoveAtomAction | 5a37a809-df3d-41ea-b57e-f402d0dfe520 | mp-1195727 | Move the atom at index 0 by [-0.729 -1.005 -2.478] 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 ... |
MoveAtomAction | 941c569b-f7a4-4b92-b416-4020bd1eade5 | mp-780778 | Move the atom at index 45 by [ 0.925 3.49 -1.643] 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... |
MoveAtomAction | e88e4ea6-b208-443b-94e7-9c34243640ca | mp-1358572 | Move the atom at index 15 by [-2.665 -4.19 -0.018] 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... |
MoveAtomAction | 269c593f-bf53-41c1-be11-f4ac07c9cb8a | mp-9563 | Move the atom at index 2 by [ 0.206 -0.305 1.799] 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... |
MoveAtomAction | 9e68e517-5f17-4572-8b5b-291d0e0674cc | mp-1201107 | Move the atom at index 83 by [ 1.557 -0.627 0.738] 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... |
MoveAtomAction | 19382a19-b8d8-49d8-89e4-4616b5433f27 | mp-758878 | Move the atom at index 11 by [-1.093 -2.569 -0.291] 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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