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 | 047a96a9-3a5b-4518-a8d6-d26876da3b83 | mp-1233053 | Move the atom at index 4 by [1.727 0.449 0.377] angstrom in the cif file. | data_image0
_chemical_formula_structural MgV8O8F8
_chemical_formula_sum "Mg1 V8 O8 F8"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_grou... | data_image0
_chemical_formula_structural MgV8O8F8
_chemical_formula_sum "Mg1 V8 O8 F8"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_grou... |
MoveAtomAction | b5764095-07cd-4a78-ab05-55eb11f026a8 | mp-3887 | Move the atom at index 30 by [-0.954 2.413 3.856] angstrom in the cif file. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... |
MoveAtomAction | 04d46077-3e56-4cb7-bce6-38623b1a3bee | mp-652961 | Move the atom at index 17 by [ 2.563 -1.997 2.056] angstrom in the cif file. | data_image0
_chemical_formula_structural La6Ga2Ge10O32
_chemical_formula_sum "La6 Ga2 Ge10 O32"
_cell_length_a 4.888958
_cell_length_b 8.21302788
_cell_length_c 15.866032
_cell_angle_alpha 90.74481896
_cell_angle_beta 94.27823965
_cell_angle_gamma 89.96125415
_space_group... | data_image0
_chemical_formula_structural La6Ga2Ge10O32
_chemical_formula_sum "La6 Ga2 Ge10 O32"
_cell_length_a 4.888958
_cell_length_b 8.21302788
_cell_length_c 15.866032
_cell_angle_alpha 90.74481896
_cell_angle_beta 94.27823965
_cell_angle_gamma 89.96125415
_space_group... |
MoveAtomAction | b79a264e-3468-47fc-b372-68d82206dd63 | mp-630927 | Move the atom at index 2 by [4.355 7.872 0.799] angstrom in the cif file. | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... |
MoveAtomAction | e2fb00a8-bbc8-472c-9e4f-891e57f753e2 | mp-625941 | Move the atom at index 11 by [-2.748 -2.972 -0.035] angstrom in the cif file. | data_image0
_chemical_formula_structural TeH6O6
_chemical_formula_sum "Te1 H6 O6"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... | data_image0
_chemical_formula_structural TeH6O6
_chemical_formula_sum "Te1 H6 O6"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... |
MoveAtomAction | 89257b8d-624f-419c-9e86-ac943b753b30 | mp-754697 | Move the atom at index 1 by [-3.114 -2.923 0.352] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co4P4O16
_chemical_formula_sum "Li4 Co4 P4 O16"
_cell_length_a 4.54832761
_cell_length_b 5.168608659999999
_cell_length_c 14.8595624
_cell_angle_alpha 94.92115909
_cell_angle_beta 93.81129762
_cell_angle_gamma 74.86495942
_space... | data_image0
_chemical_formula_structural Li4Co4P4O16
_chemical_formula_sum "Li4 Co4 P4 O16"
_cell_length_a 4.54832761
_cell_length_b 5.168608659999999
_cell_length_c 14.8595624
_cell_angle_alpha 94.92115909
_cell_angle_beta 93.81129762
_cell_angle_gamma 74.86495942
_space... |
MoveAtomAction | 3062691a-3a4f-4e22-a405-eeea373e90e2 | mp-1113179 | Move the atom at index 3 by [ 0.588 -2.376 -1.553] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2HgBiF6
_chemical_formula_sum "Cs2 Hg1 Bi1 F6"
_cell_length_a 6.92489611
_cell_length_b 6.92489611
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Cs2HgBiF6
_chemical_formula_sum "Cs2 Hg1 Bi1 F6"
_cell_length_a 6.92489611
_cell_length_b 6.92489611
_cell_length_c 6.92489611
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveAtomAction | b906ba9d-c90a-414f-845a-8c7e24f6fc59 | mp-1234758 | Move the atom at index 14 by [ 0.331 1.043 -0.912] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4MgMn4H16Cl12O8
_chemical_formula_sum "Cs4 Mg1 Mn4 H16 Cl12 O8"
_cell_length_a 8.05932716
_cell_length_b 9.12067176
_cell_length_c 11.780563170000002
_cell_angle_alpha 91.71989576999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... | data_image0
_chemical_formula_structural Cs4MgMn4H16Cl12O8
_chemical_formula_sum "Cs4 Mg1 Mn4 H16 Cl12 O8"
_cell_length_a 8.05932716
_cell_length_b 9.12067176
_cell_length_c 11.780563170000002
_cell_angle_alpha 91.71989576999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
MoveAtomAction | 55eb05ae-acc2-4bbd-9306-69e33244300d | mp-1247343 | Move the atom at index 23 by [-2.956 -0.865 1.187] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... |
MoveAtomAction | 9a07dba7-4fb3-46a9-abd3-64bc903323cb | mp-1028304 | Move the atom at index 0 by [2.606 1.657 0.32 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14NbV
_chemical_formula_sum "Mg14 Nb1 V1"
_cell_length_a 6.33545752
_cell_length_b 6.18791402
_cell_length_c 10.08272657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.23257109000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14NbV
_chemical_formula_sum "Mg14 Nb1 V1"
_cell_length_a 6.33545752
_cell_length_b 6.18791402
_cell_length_c 10.08272657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.23257109000001
_space_group_name_H-M_alt ... |
MoveAtomAction | 5b6583d3-5218-4fad-8f6b-5392ca82245e | mp-680301 | Move the atom at index 11 by [ 1.416 -0.028 2.008] angstrom in the cif file. | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... |
MoveAtomAction | 51a64b26-09e5-4940-8791-81b8520e62b1 | mp-777845 | Move the atom at index 11 by [ 1.523 -2.014 -3.512] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6O5F7
_chemical_formula_sum "Fe6 O5 F7"
_cell_length_a 5.666152
_cell_length_b 5.705574750000001
_cell_length_c 7.40923659
_cell_angle_alpha 72.75917785
_cell_angle_beta 71.99228371
_cell_angle_gamma 73.37660293
_space_group_name... | data_image0
_chemical_formula_structural Fe6O5F7
_chemical_formula_sum "Fe6 O5 F7"
_cell_length_a 5.666152
_cell_length_b 5.705574750000001
_cell_length_c 7.40923659
_cell_angle_alpha 72.75917785
_cell_angle_beta 71.99228371
_cell_angle_gamma 73.37660293
_space_group_name... |
MoveAtomAction | 5824f4cf-01ff-48d5-9f78-f2ff3ff55c68 | mp-1106129 | Move the atom at index 4 by [ 0.898 -1.432 -0.209] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi4Te2Br2O9
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Bi4Te2Br2O9
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveAtomAction | 467efebc-02f7-4133-bb40-a69b5238fdce | mp-558497 | Move the atom at index 25 by [-3.047 2.753 0.525] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4P12O36
_chemical_formula_sum "Cr4 P12 O36"
_cell_length_a 6.5169054
_cell_length_b 13.29537631
_cell_length_c 8.40114427
_cell_angle_alpha 83.22808304
_cell_angle_beta 112.82234582999999
_cell_angle_gamma 89.99988923999999
_spac... | data_image0
_chemical_formula_structural Cr4P12O36
_chemical_formula_sum "Cr4 P12 O36"
_cell_length_a 6.5169054
_cell_length_b 13.29537631
_cell_length_c 8.40114427
_cell_angle_alpha 83.22808304
_cell_angle_beta 112.82234582999999
_cell_angle_gamma 89.99988923999999
_spac... |
MoveAtomAction | 4930095b-b596-4737-9246-7ee7b53a5185 | mp-866339 | Move the atom at index 19 by [ 1. 0.981 -0.274] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd4P8O24
_chemical_formula_sum "Cd4 P8 O24"
_cell_length_a 7.57599934
_cell_length_b 7.575999340000001
_cell_length_c 10.44956844
_cell_angle_alpha 65.96801028
_cell_angle_beta 65.96801028
_cell_angle_gamma 69.68253712999999
_space... | data_image0
_chemical_formula_structural Cd4P8O24
_chemical_formula_sum "Cd4 P8 O24"
_cell_length_a 7.57599934
_cell_length_b 7.575999340000001
_cell_length_c 10.44956844
_cell_angle_alpha 65.96801028
_cell_angle_beta 65.96801028
_cell_angle_gamma 69.68253712999999
_space... |
MoveAtomAction | 90acab99-01c4-4092-80c5-9ec6e7c5fc56 | mp-1647971 | Move the atom at index 19 by [ 2.406 -2.014 4.242] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V2P8H8O28
_chemical_formula_sum "Li2 V2 P8 H8 O28"
_cell_length_a 7.32070403
_cell_length_b 9.72382835
_cell_length_c 8.3510766
_cell_angle_alpha 69.39754332
_cell_angle_beta 102.11270466
_cell_angle_gamma 76.94636353
_space_gro... | data_image0
_chemical_formula_structural Li2V2P8H8O28
_chemical_formula_sum "Li2 V2 P8 H8 O28"
_cell_length_a 7.32070403
_cell_length_b 9.72382835
_cell_length_c 8.3510766
_cell_angle_alpha 69.39754332
_cell_angle_beta 102.11270466
_cell_angle_gamma 76.94636353
_space_gro... |
MoveAtomAction | 5b77a90f-8064-410b-b461-b0e6bf2ed8b1 | mp-1028023 | Move the atom at index 4 by [ 1.948 -0.58 -2.12 ] angstrom in the cif file. | data_image0
_chemical_formula_structural YMg14W
_chemical_formula_sum "Y1 Mg14 W1"
_cell_length_a 6.39875587
_cell_length_b 6.39875534
_cell_length_c 10.17357779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural YMg14W
_chemical_formula_sum "Y1 Mg14 W1"
_cell_length_a 6.39875587
_cell_length_b 6.39875534
_cell_length_c 10.17357779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt "P 1"... |
MoveAtomAction | cfefd376-3094-4b5e-af99-a2a3a2eeb6d2 | mp-680301 | Move the atom at index 29 by [-1.857 3.111 -1.224] angstrom in the cif file. | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... |
MoveAtomAction | 62554a7c-a45d-4a39-b1b7-15ae977932d1 | mp-1247343 | Move the atom at index 10 by [ 2.04 -2.143 -2.919] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... |
MoveAtomAction | 6477a1ab-27d7-42b6-895e-0018344e615f | mp-1221251 | Move the atom at index 11 by [-1.015 -1.135 1.466] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4NiAg2S8N5O12
_chemical_formula_sum "Na4 Ni1 Ag2 S8 N5 O12"
_cell_length_a 10.28224903
_cell_length_b 10.282249029999997
_cell_length_c 10.28224903
_cell_angle_alpha 94.8151889
_cell_angle_beta 94.8151889
_cell_angle_gamma 146.316... | data_image0
_chemical_formula_structural Na4NiAg2S8N5O12
_chemical_formula_sum "Na4 Ni1 Ag2 S8 N5 O12"
_cell_length_a 10.28224903
_cell_length_b 10.282249029999997
_cell_length_c 10.28224903
_cell_angle_alpha 94.8151889
_cell_angle_beta 94.8151889
_cell_angle_gamma 146.316... |
MoveAtomAction | c8019680-3681-47ad-aefd-5b3c24590b9c | mp-768784 | Move the atom at index 58 by [-2.521 -4.339 -0.601] angstrom in the cif file. | data_image0
_chemical_formula_structural Li24Mn5Cr7O36
_chemical_formula_sum "Li24 Mn5 Cr7 O36"
_cell_length_a 5.004966
_cell_length_b 9.74726665
_cell_length_c 13.310921080000002
_cell_angle_alpha 97.17720346
_cell_angle_beta 100.57243927
_cell_angle_gamma 94.482967350000... | data_image0
_chemical_formula_structural Li24Mn5Cr7O36
_chemical_formula_sum "Li24 Mn5 Cr7 O36"
_cell_length_a 5.004966
_cell_length_b 9.74726665
_cell_length_c 13.310921080000002
_cell_angle_alpha 97.17720346
_cell_angle_beta 100.57243927
_cell_angle_gamma 94.482967350000... |
MoveAtomAction | 3f0518f9-07ef-441b-8df2-98beb609f360 | mp-1209619 | Move the atom at index 3 by [-2.089 -1.774 -1.681] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... |
MoveAtomAction | 436f8943-806e-42b7-bf62-953ebed1234a | mp-770612 | Move the atom at index 59 by [ 1.835 -0.894 0.053] angstrom in the cif file. | data_image0
_chemical_formula_structural Li16Cr4H32S4O28
_chemical_formula_sum "Li16 Cr4 H32 S4 O28"
_cell_length_a 13.15412
_cell_length_b 5.357776
_cell_length_c 10.54289254
_cell_angle_alpha 74.92902081
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li16Cr4H32S4O28
_chemical_formula_sum "Li16 Cr4 H32 S4 O28"
_cell_length_a 13.15412
_cell_length_b 5.357776
_cell_length_c 10.54289254
_cell_angle_alpha 74.92902081
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveAtomAction | e2c69575-8597-4427-8253-d60c46d8da78 | mp-1006615 | Move the atom at index 16 by [ 1.256 -0.958 1.007] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Cu4N24Cl20
_chemical_formula_sum "Cr4 Cu4 N24 Cl20"
_cell_length_a 10.13556
_cell_length_b 10.13556
_cell_length_c 10.13556
_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 Cr4Cu4N24Cl20
_chemical_formula_sum "Cr4 Cu4 N24 Cl20"
_cell_length_a 10.13556
_cell_length_b 10.13556
_cell_length_c 10.13556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | 5ef6014f-cdf2-4331-b073-653dbe1fc3b8 | mp-3653 | Move the atom at index 14 by [-0.836 -0.853 -0.033] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Sb4O12
_chemical_formula_sum "Mg2 Sb4 O12"
_cell_length_a 4.66240552
_cell_length_b 4.66240552
_cell_length_c 9.26369198
_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 Mg2Sb4O12
_chemical_formula_sum "Mg2 Sb4 O12"
_cell_length_a 4.66240552
_cell_length_b 4.66240552
_cell_length_c 9.26369198
_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 | 7c5d625e-91e2-4b79-8c34-d0a0c1c996df | mp-571384 | Move the atom at index 0 by [ 1.051 0.981 -3.37 ] angstrom in the cif file. | data_image0
_chemical_formula_structural KMnAg3C6N6
_chemical_formula_sum "K1 Mn1 Ag3 C6 N6"
_cell_length_a 6.97062583
_cell_length_b 6.9706258299999995
_cell_length_c 8.160555
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999839
_space_group_name_H... | data_image0
_chemical_formula_structural KMnAg3C6N6
_chemical_formula_sum "K1 Mn1 Ag3 C6 N6"
_cell_length_a 6.97062583
_cell_length_b 6.9706258299999995
_cell_length_c 8.160555
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999839
_space_group_name_H... |
MoveAtomAction | 62890133-75bc-4084-a0bc-a09eb50f673e | mp-1101293 | Move the atom at index 7 by [-2.714 3.106 -1.148] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti3VNi2P6O24
_chemical_formula_sum "Ti3 V1 Ni2 P6 O24"
_cell_length_a 8.52010519
_cell_length_b 8.52010519
_cell_length_c 8.52010481
_cell_angle_alpha 60.95679372
_cell_angle_beta 60.95679372
_cell_angle_gamma 60.9567941
_space_gro... | data_image0
_chemical_formula_structural Ti3VNi2P6O24
_chemical_formula_sum "Ti3 V1 Ni2 P6 O24"
_cell_length_a 8.52010519
_cell_length_b 8.52010519
_cell_length_c 8.52010481
_cell_angle_alpha 60.95679372
_cell_angle_beta 60.95679372
_cell_angle_gamma 60.9567941
_space_gro... |
MoveAtomAction | 24f94f4a-5a76-4be0-89b3-7034ec889678 | mp-1226365 | Move the atom at index 7 by [-1.857 -2.07 0.99 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Cu3NiF10
_chemical_formula_sum "Cs2 Cu3 Ni1 F10"
_cell_length_a 6.86190667
_cell_length_b 6.794607259999999
_cell_length_c 7.232406020000001
_cell_angle_alpha 62.46383703
_cell_angle_beta 62.08695256
_cell_angle_gamma 66.02061028... | data_image0
_chemical_formula_structural Cs2Cu3NiF10
_chemical_formula_sum "Cs2 Cu3 Ni1 F10"
_cell_length_a 6.86190667
_cell_length_b 6.794607259999999
_cell_length_c 7.232406020000001
_cell_angle_alpha 62.46383703
_cell_angle_beta 62.08695256
_cell_angle_gamma 66.02061028... |
MoveAtomAction | b2232b13-6796-4da4-a22f-e67634c02008 | mp-1247343 | Move the atom at index 20 by [ 1.275 -1.67 0.563] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... | data_image0
_chemical_formula_structural Ca10Ti4N12
_chemical_formula_sum "Ca10 Ti4 N12"
_cell_length_a 6.10657579
_cell_length_b 6.55391325
_cell_length_c 12.8961882
_cell_angle_alpha 90.00000041000001
_cell_angle_beta 101.44650745
_cell_angle_gamma 122.45435244
_space_g... |
MoveAtomAction | 30f6a0c4-7135-43c2-a916-9102500f3efd | mp-779515 | Move the atom at index 14 by [-2.968 -4.495 -3.887] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Bi4C8S2O32
_chemical_formula_sum "Na8 Bi4 C8 S2 O32"
_cell_length_a 10.61164822
_cell_length_b 10.52422481
_cell_length_c 10.19810692
_cell_angle_alpha 61.582151870000004
_cell_angle_beta 60.72171207
_cell_angle_gamma 57.69613606... | data_image0
_chemical_formula_structural Na8Bi4C8S2O32
_chemical_formula_sum "Na8 Bi4 C8 S2 O32"
_cell_length_a 10.61164822
_cell_length_b 10.52422481
_cell_length_c 10.19810692
_cell_angle_alpha 61.582151870000004
_cell_angle_beta 60.72171207
_cell_angle_gamma 57.69613606... |
MoveAtomAction | 5bae0f91-7ca2-48d8-9855-c27a85d4753f | mp-627632 | Move the atom at index 46 by [ 2.78 -2.647 -1.489] angstrom in the cif file. | data_image0
_chemical_formula_structural Si16H8O36
_chemical_formula_sum "Si16 H8 O36"
_cell_length_a 7.61883303
_cell_length_b 7.618833030000001
_cell_length_c 15.73186293
_cell_angle_alpha 76.02641733
_cell_angle_beta 76.02641733
_cell_angle_gamma 89.99807501000001
_spa... | data_image0
_chemical_formula_structural Si16H8O36
_chemical_formula_sum "Si16 H8 O36"
_cell_length_a 7.61883303
_cell_length_b 7.618833030000001
_cell_length_c 15.73186293
_cell_angle_alpha 76.02641733
_cell_angle_beta 76.02641733
_cell_angle_gamma 89.99807501000001
_spa... |
MoveAtomAction | 9c6552c7-3d4c-44e3-ad00-9da99ac9b74d | mp-1220089 | Move the atom at index 3 by [ 1.302 -0.136 -2.128] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni4Ge3As9
_chemical_formula_sum "Ni4 Ge3 As9"
_cell_length_a 7.2328248
_cell_length_b 7.2328248
_cell_length_c 8.28778353
_cell_angle_alpha 55.02923720999999
_cell_angle_beta 55.02923720999999
_cell_angle_gamma 71.21250094
_space_g... | data_image0
_chemical_formula_structural Ni4Ge3As9
_chemical_formula_sum "Ni4 Ge3 As9"
_cell_length_a 7.2328248
_cell_length_b 7.2328248
_cell_length_c 8.28778353
_cell_angle_alpha 55.02923720999999
_cell_angle_beta 55.02923720999999
_cell_angle_gamma 71.21250094
_space_g... |
MoveAtomAction | a9d83cd3-431d-4d90-8956-11580b292f13 | mp-558350 | Move the atom at index 45 by [-1.11 -4.032 2.246] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn16Te8Br16O24
_chemical_formula_sum "Zn16 Te8 Br16 O24"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_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 Zn16Te8Br16O24
_chemical_formula_sum "Zn16 Te8 Br16 O24"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 042a15d7-1d43-4fe7-9889-7f5af39f6e46 | mp-31502 | Move the atom at index 6 by [ 1.456 -1.807 -0.954] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc2Cd14
_chemical_formula_sum "Sc2 Cd14"
_cell_length_a 6.23775799
_cell_length_b 6.23775693
_cell_length_c 9.31748608
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.08722032999998
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sc2Cd14
_chemical_formula_sum "Sc2 Cd14"
_cell_length_a 6.23775799
_cell_length_b 6.23775693
_cell_length_c 9.31748608
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.08722032999998
_space_group_name_H-M_alt "... |
MoveAtomAction | cabb00be-bedb-472e-8a2b-99dd63d7a757 | mp-1102412 | Move the atom at index 1 by [0.163 1.462 2.963] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4O8
_chemical_formula_sum "Cr4 O8"
_cell_length_a 4.26593859
_cell_length_b 4.87969859
_cell_length_c 5.36925859
_cell_angle_alpha 90.0002688
_cell_angle_beta 90.0000897
_cell_angle_gamma 90.0042059
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Cr4O8
_chemical_formula_sum "Cr4 O8"
_cell_length_a 4.26593859
_cell_length_b 4.87969859
_cell_length_c 5.36925859
_cell_angle_alpha 90.0002688
_cell_angle_beta 90.0000897
_cell_angle_gamma 90.0042059
_space_group_name_H-M_alt "... |
MoveAtomAction | 07451c61-266a-4b76-9214-28ade6df8384 | mp-1214552 | Move the atom at index 53 by [-1.201 -0.698 1.007] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Cu6Si40
_chemical_formula_sum "Ba8 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... | data_image0
_chemical_formula_structural Ba8Cu6Si40
_chemical_formula_sum "Ba8 Cu6 Si40"
_cell_length_a 10.34362496
_cell_length_b 10.34362754
_cell_length_c 10.34364734
_cell_angle_alpha 89.99996754
_cell_angle_beta 89.99998226999999
_cell_angle_gamma 89.99998272000002
_... |
MoveAtomAction | 67d8670d-5a1a-4238-b854-24048cd40934 | mp-1223668 | Move the atom at index 7 by [ 2.443 0.325 -2.182] angstrom in the cif file. | data_image0
_chemical_formula_structural KMnSn3O8
_chemical_formula_sum "K1 Mn1 Sn3 O8"
_cell_length_a 7.554677
_cell_length_b 7.554677
_cell_length_c 10.45240758
_cell_angle_alpha 47.099600049999985
_cell_angle_beta 47.099600049999985
_cell_angle_gamma 24.819459619999993
... | data_image0
_chemical_formula_structural KMnSn3O8
_chemical_formula_sum "K1 Mn1 Sn3 O8"
_cell_length_a 7.554677
_cell_length_b 7.554677
_cell_length_c 10.45240758
_cell_angle_alpha 47.099600049999985
_cell_angle_beta 47.099600049999985
_cell_angle_gamma 24.819459619999993
... |
MoveAtomAction | 86e1b366-21aa-4601-bf33-9efaa837541e | mp-18010 | Move the atom at index 12 by [-3.672 -1.329 0.745] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Pd6Se16
_chemical_formula_sum "Ta4 Pd6 Se16"
_cell_length_a 3.58290865
_cell_length_b 11.12606605
_cell_length_c 15.47467255
_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 Ta4Pd6Se16
_chemical_formula_sum "Ta4 Pd6 Se16"
_cell_length_a 3.58290865
_cell_length_b 11.12606605
_cell_length_c 15.47467255
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 2bb27f28-b715-4b76-a65e-f6133eb661c4 | mp-1519716 | Move the atom at index 4 by [ 1.701 -2.924 4.683] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4Mg4Bi8O24
_chemical_formula_sum "Pr4 Mg4 Bi8 O24"
_cell_length_a 8.43650062
_cell_length_b 8.43650062
_cell_length_c 8.43650062
_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 Pr4Mg4Bi8O24
_chemical_formula_sum "Pr4 Mg4 Bi8 O24"
_cell_length_a 8.43650062
_cell_length_b 8.43650062
_cell_length_c 8.43650062
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 390b4862-b02f-4467-bf3d-51379e057101 | mp-20083 | Move the atom at index 7 by [ 2.45 -0.433 1.294] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 | 224724f8-0f93-4de5-851c-c86e7505c83f | mp-772223 | Move the atom at index 35 by [-0.703 -0.519 1.8 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Fe4B8O24
_chemical_formula_sum "Na12 Fe4 B8 O24"
_cell_length_a 9.571733
_cell_length_b 5.551744
_cell_length_c 11.52601236
_cell_angle_alpha 65.20747392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na12Fe4B8O24
_chemical_formula_sum "Na12 Fe4 B8 O24"
_cell_length_a 9.571733
_cell_length_b 5.551744
_cell_length_c 11.52601236
_cell_angle_alpha 65.20747392
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 4524d150-8ff1-47ab-9619-f87e22b3907f | mp-1026412 | Move the atom at index 10 by [ 2.288 -2.231 -0.319] angstrom in the cif file. | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... |
MoveAtomAction | 772230da-7620-4316-80b8-2ab5f43898ad | mp-762529 | Move the atom at index 7 by [ 5.515 0.234 -0.807] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe5O10
_chemical_formula_sum "Li2 Fe5 O10"
_cell_length_a 5.15872651
_cell_length_b 5.141084059999999
_cell_length_c 7.86355912
_cell_angle_alpha 109.15005001
_cell_angle_beta 100.73781788
_cell_angle_gamma 101.34705274
_space_g... | data_image0
_chemical_formula_structural Li2Fe5O10
_chemical_formula_sum "Li2 Fe5 O10"
_cell_length_a 5.15872651
_cell_length_b 5.141084059999999
_cell_length_c 7.86355912
_cell_angle_alpha 109.15005001
_cell_angle_beta 100.73781788
_cell_angle_gamma 101.34705274
_space_g... |
MoveAtomAction | 08b9d74e-a778-4460-99b5-1916c17c01ee | mp-1042942 | Move the atom at index 18 by [-2.559 -3.891 -0.419] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2Zn2Ge4O12
_chemical_formula_sum "Ti2 Zn2 Ge4 O12"
_cell_length_a 6.94537194
_cell_length_b 6.94537194
_cell_length_c 5.055276
_cell_angle_alpha 79.96098557
_cell_angle_beta 79.96098557
_cell_angle_gamma 79.32597214
_space_group_... | data_image0
_chemical_formula_structural Ti2Zn2Ge4O12
_chemical_formula_sum "Ti2 Zn2 Ge4 O12"
_cell_length_a 6.94537194
_cell_length_b 6.94537194
_cell_length_c 5.055276
_cell_angle_alpha 79.96098557
_cell_angle_beta 79.96098557
_cell_angle_gamma 79.32597214
_space_group_... |
MoveAtomAction | fd3465f3-2254-4b2e-a321-11d9733e707b | mp-2228739 | Move the atom at index 8 by [-2.758 1.365 -0.48 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2YMgCo3O8
_chemical_formula_sum "Ba2 Y1 Mg1 Co3 O8"
_cell_length_a 3.82677614
_cell_length_b 3.99076499
_cell_length_c 14.982411789999999
_cell_angle_alpha 90.00004725000001
_cell_angle_beta 89.99997689
_cell_angle_gamma 90.000028... | data_image0
_chemical_formula_structural Ba2YMgCo3O8
_chemical_formula_sum "Ba2 Y1 Mg1 Co3 O8"
_cell_length_a 3.82677614
_cell_length_b 3.99076499
_cell_length_c 14.982411789999999
_cell_angle_alpha 90.00004725000001
_cell_angle_beta 89.99997689
_cell_angle_gamma 90.000028... |
MoveAtomAction | 7c82623f-34ee-4b1c-b537-784f4abece71 | mp-1235631 | Move the atom at index 12 by [0.182 0.05 3.146] angstrom in the cif file. | data_image0
_chemical_formula_structural BaSrLiNdTlCu2O7
_chemical_formula_sum "Ba1 Sr1 Li1 Nd1 Tl1 Cu2 O7"
_cell_length_a 3.894985
_cell_length_b 4.02463695
_cell_length_c 13.05510099
_cell_angle_alpha 86.16013427
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... | data_image0
_chemical_formula_structural BaSrLiNdTlCu2O7
_chemical_formula_sum "Ba1 Sr1 Li1 Nd1 Tl1 Cu2 O7"
_cell_length_a 3.894985
_cell_length_b 4.02463695
_cell_length_c 13.05510099
_cell_angle_alpha 86.16013427
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
MoveAtomAction | 938ddb72-8bca-4380-95a3-a56b99286d81 | mp-778500 | Move the atom at index 61 by [-1.732 1.348 -2.12 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li10Ti2Mn18O40
_chemical_formula_sum "Li10 Ti2 Mn18 O40"
_cell_length_a 5.87694826
_cell_length_b 6.05119558
_cell_length_c 24.44071306
_cell_angle_alpha 89.18143844
_cell_angle_beta 95.5440936
_cell_angle_gamma 120.15124847000001
... | data_image0
_chemical_formula_structural Li10Ti2Mn18O40
_chemical_formula_sum "Li10 Ti2 Mn18 O40"
_cell_length_a 5.87694826
_cell_length_b 6.05119558
_cell_length_c 24.44071306
_cell_angle_alpha 89.18143844
_cell_angle_beta 95.5440936
_cell_angle_gamma 120.15124847000001
... |
MoveAtomAction | a2ea47fa-7a9b-45e1-8f30-77001294fa1e | mp-1246200 | Move the atom at index 29 by [3.422 3.592 3.298] angstrom in the cif file. | data_image0
_chemical_formula_structural Os8Pb12N16
_chemical_formula_sum "Os8 Pb12 N16"
_cell_length_a 6.51957304
_cell_length_b 10.46974712
_cell_length_c 10.31904487
_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 Os8Pb12N16
_chemical_formula_sum "Os8 Pb12 N16"
_cell_length_a 6.51957304
_cell_length_b 10.46974712
_cell_length_c 10.31904487
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | fff81e13-7b73-4fbe-85ad-9dfba9e9edd7 | mp-1216954 | Move the atom at index 14 by [-2.549 -2.043 1.194] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... |
MoveAtomAction | 4f33ccca-5373-4642-96d1-c6276edb963a | mp-1214127 | Move the atom at index 43 by [-1.209 0.505 1.991] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Al4Si12H20O42
_chemical_formula_sum "Ca2 Al4 Si12 H20 O42"
_cell_length_a 17.578746
_cell_length_b 7.363444
_cell_length_c 7.521039390000001
_cell_angle_alpha 74.61427817
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... | data_image0
_chemical_formula_structural Ca2Al4Si12H20O42
_chemical_formula_sum "Ca2 Al4 Si12 H20 O42"
_cell_length_a 17.578746
_cell_length_b 7.363444
_cell_length_c 7.521039390000001
_cell_angle_alpha 74.61427817
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
MoveAtomAction | bc4fe2dc-152d-4b4a-b32d-c4f9757f61a1 | mp-770718 | Move the atom at index 33 by [-0.182 0.659 -0.013] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4I8O24
_chemical_formula_sum "Mg4 I8 O24"
_cell_length_a 5.390324
_cell_length_b 5.70446
_cell_length_c 17.26379
_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 Mg4I8O24
_chemical_formula_sum "Mg4 I8 O24"
_cell_length_a 5.390324
_cell_length_b 5.70446
_cell_length_c 17.26379
_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 | e676597f-0e5e-403e-a80b-10b716319d9e | mp-3824 | Move the atom at index 7 by [-1.054 -1.971 3.788] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta9Ni2S6
_chemical_formula_sum "Ta9 Ni2 S6"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ta9Ni2S6
_chemical_formula_sum "Ta9 Ni2 S6"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | 9b7a5e1c-b290-44c5-a056-94ccd476ed19 | mp-9511 | Move the atom at index 7 by [ 2.778 2.009 -1.023] angstrom in the cif file. | data_image0
_chemical_formula_structural K4As2Au2S8
_chemical_formula_sum "K4 As2 Au2 S8"
_cell_length_a 6.93280871
_cell_length_b 6.61767417
_cell_length_c 9.58799398
_cell_angle_alpha 87.05264167
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4As2Au2S8
_chemical_formula_sum "K4 As2 Au2 S8"
_cell_length_a 6.93280871
_cell_length_b 6.61767417
_cell_length_c 9.58799398
_cell_angle_alpha 87.05264167
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | f52e09f8-3555-4b54-a2b7-98056a118b90 | mp-555792 | Move the atom at index 10 by [ 2.772 0.611 -0.552] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Os4O12
_chemical_formula_sum "Na2 Os4 O12"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Na2Os4O12
_chemical_formula_sum "Na2 Os4 O12"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveAtomAction | 16c176f5-a924-4812-9db4-cf2dc68e0bcf | mp-767746 | Move the atom at index 16 by [-1.052 0.976 -0.709] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Mn2Fe3O16
_chemical_formula_sum "Li12 Mn2 Fe3 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581400000... | data_image0
_chemical_formula_structural Li12Mn2Fe3O16
_chemical_formula_sum "Li12 Mn2 Fe3 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581400000... |
MoveAtomAction | 61d574cf-280e-4c27-891d-aaab767fc1ab | mp-2230290 | Move the atom at index 12 by [ 1.165 -0.228 -1.209] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn6O6F6
_chemical_formula_sum "Mg1 Mn6 O6 F6"
_cell_length_a 5.08737613
_cell_length_b 7.79122316
_cell_length_c 5.93357442
_cell_angle_alpha 95.73871861
_cell_angle_beta 98.28131012
_cell_angle_gamma 89.99867143000002
_space_gro... | data_image0
_chemical_formula_structural MgMn6O6F6
_chemical_formula_sum "Mg1 Mn6 O6 F6"
_cell_length_a 5.08737613
_cell_length_b 7.79122316
_cell_length_c 5.93357442
_cell_angle_alpha 95.73871861
_cell_angle_beta 98.28131012
_cell_angle_gamma 89.99867143000002
_space_gro... |
MoveAtomAction | f8b64855-5a3a-49e8-a239-e15ae9acc1e0 | mp-1223717 | Move the atom at index 25 by [ 1.211 -4.256 -0.178] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... |
MoveAtomAction | 260af45c-e6b0-4b39-a552-e7092d2056da | mp-31908 | Move the atom at index 16 by [ 2.46 -2.177 -0.146] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6Nb12O22
_chemical_formula_sum "Mn6 Nb12 O22"
_cell_length_a 6.12120682
_cell_length_b 15.31649322
_cell_length_c 6.121207320000001
_cell_angle_alpha 90.0000366
_cell_angle_beta 120.00004614999999
_cell_angle_gamma 89.999912449999... | data_image0
_chemical_formula_structural Mn6Nb12O22
_chemical_formula_sum "Mn6 Nb12 O22"
_cell_length_a 6.12120682
_cell_length_b 15.31649322
_cell_length_c 6.121207320000001
_cell_angle_alpha 90.0000366
_cell_angle_beta 120.00004614999999
_cell_angle_gamma 89.999912449999... |
MoveAtomAction | 38374ac0-9e40-41af-80ab-297203176f5c | mp-1177762 | Move the atom at index 13 by [ 0.695 2.231 -1.054] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V2Fe2P4O16F4
_chemical_formula_sum "Li4 V2 Fe2 P4 O16 F4"
_cell_length_a 6.976435
_cell_length_b 7.4203115099999994
_cell_length_c 7.9871230099999995
_cell_angle_alpha 90.85495306000001
_cell_angle_beta 91.61388218
_cell_angle_gamma... | data_image0
_chemical_formula_structural Li4V2Fe2P4O16F4
_chemical_formula_sum "Li4 V2 Fe2 P4 O16 F4"
_cell_length_a 6.976435
_cell_length_b 7.4203115099999994
_cell_length_c 7.9871230099999995
_cell_angle_alpha 90.85495306000001
_cell_angle_beta 91.61388218
_cell_angle_gamma... |
MoveAtomAction | dd3c1d90-4a20-4c4e-9208-0de21a98fb33 | mp-618177 | Move the atom at index 0 by [-0.191 0.614 -3.349] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Zn4Cl16
_chemical_formula_sum "K8 Zn4 Cl16"
_cell_length_a 7.1589231
_cell_length_b 8.87527911
_cell_length_c 12.57361805
_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 K8Zn4Cl16
_chemical_formula_sum "K8 Zn4 Cl16"
_cell_length_a 7.1589231
_cell_length_b 8.87527911
_cell_length_c 12.57361805
_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 | d9dfed06-9e6c-4958-a9d3-21dd649db085 | mp-1214678 | Move the atom at index 5 by [-3.127 -0.057 0.619] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2H12C12Br4O16
_chemical_formula_sum "Ca2 H12 C12 Br4 O16"
_cell_length_a 10.19776015
_cell_length_b 10.197760150000002
_cell_length_c 6.68699536
_cell_angle_alpha 81.39273033
_cell_angle_beta 81.39273033
_cell_angle_gamma 113.7215... | data_image0
_chemical_formula_structural Ca2H12C12Br4O16
_chemical_formula_sum "Ca2 H12 C12 Br4 O16"
_cell_length_a 10.19776015
_cell_length_b 10.197760150000002
_cell_length_c 6.68699536
_cell_angle_alpha 81.39273033
_cell_angle_beta 81.39273033
_cell_angle_gamma 113.7215... |
MoveAtomAction | 6a2e32f6-f26f-431f-9e28-ea4fed762829 | mp-2232781 | Move the atom at index 7 by [-0.461 -1.927 3.619] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... |
MoveAtomAction | 51e6e903-2e78-4655-b979-b3e5500156a5 | mp-754324 | Move the atom at index 2 by [ 1.045 -1.381 0.698] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V3CrO8
_chemical_formula_sum "Li4 V3 Cr1 O8"
_cell_length_a 5.1846374
_cell_length_b 5.94699905
_cell_length_c 5.94836902
_cell_angle_alpha 119.98527032
_cell_angle_beta 90.01292192
_cell_angle_gamma 73.34443582
_space_group_nam... | data_image0
_chemical_formula_structural Li4V3CrO8
_chemical_formula_sum "Li4 V3 Cr1 O8"
_cell_length_a 5.1846374
_cell_length_b 5.94699905
_cell_length_c 5.94836902
_cell_angle_alpha 119.98527032
_cell_angle_beta 90.01292192
_cell_angle_gamma 73.34443582
_space_group_nam... |
MoveAtomAction | 9fcea52b-2db7-4079-85e4-00aae04757d2 | mp-557634 | Move the atom at index 23 by [-6.363 -2.552 0.151] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... |
MoveAtomAction | 9526682e-872f-4694-b0fc-fdfddb919fb5 | mp-768442 | Move the atom at index 33 by [ 3.078 -2.108 1.298] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn4B8O20
_chemical_formula_sum "Li4 Mn4 B8 O20"
_cell_length_a 9.305121
_cell_length_b 6.053043
_cell_length_c 6.89281067
_cell_angle_alpha 75.55919999000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li4Mn4B8O20
_chemical_formula_sum "Li4 Mn4 B8 O20"
_cell_length_a 9.305121
_cell_length_b 6.053043
_cell_length_c 6.89281067
_cell_angle_alpha 75.55919999000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAtomAction | 3696544e-02af-420d-9f3d-2bf8bdf7e6e0 | mp-1245478 | Move the atom at index 3 by [3.389 0.881 1.378] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Fe8N12
_chemical_formula_sum "Cr4 Fe8 N12"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group_name_... | data_image0
_chemical_formula_structural Cr4Fe8N12
_chemical_formula_sum "Cr4 Fe8 N12"
_cell_length_a 5.03270613
_cell_length_b 8.67560755
_cell_length_c 9.92142101
_cell_angle_alpha 90.00000061
_cell_angle_beta 94.19564493
_cell_angle_gamma 149.5331525
_space_group_name_... |
MoveAtomAction | 7ddecae3-c830-4e4d-bfe0-ea0a3be2703b | mp-1223259 | Move the atom at index 3 by [ 1.94 0.056 -0.897] angstrom in the cif file. | data_image0
_chemical_formula_structural La2CoNiO6
_chemical_formula_sum "La2 Co1 Ni1 O6"
_cell_length_a 5.4274163
_cell_length_b 5.4274163
_cell_length_c 5.42741624
_cell_angle_alpha 61.602393410000005
_cell_angle_beta 61.60239340999999
_cell_angle_gamma 61.60238939
_spa... | data_image0
_chemical_formula_structural La2CoNiO6
_chemical_formula_sum "La2 Co1 Ni1 O6"
_cell_length_a 5.4274163
_cell_length_b 5.4274163
_cell_length_c 5.42741624
_cell_angle_alpha 61.602393410000005
_cell_angle_beta 61.60239340999999
_cell_angle_gamma 61.60238939
_spa... |
MoveAtomAction | dd0c15eb-ae1e-4410-8a67-065a8042cd8f | mp-29853 | Move the atom at index 6 by [ 1.598 0.404 -2.012] angstrom in the cif file. | data_image0
_chemical_formula_structural Hg8C8N16
_chemical_formula_sum "Hg8 C8 N16"
_cell_length_a 6.922238
_cell_length_b 7.269546
_cell_length_c 10.654594
_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 Hg8C8N16
_chemical_formula_sum "Hg8 C8 N16"
_cell_length_a 6.922238
_cell_length_b 7.269546
_cell_length_c 10.654594
_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 | 52483d72-7daf-4d3c-b791-c387cba89a1d | mp-1188256 | Move the atom at index 4 by [ 0.594 -0.196 -0.826] angstrom in the cif file. | data_image0
_chemical_formula_structural U4Ni4Se12
_chemical_formula_sum "U4 Ni4 Se12"
_cell_length_a 6.255074
_cell_length_b 7.38731
_cell_length_c 8.8402
_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 U4Ni4Se12
_chemical_formula_sum "U4 Ni4 Se12"
_cell_length_a 6.255074
_cell_length_b 7.38731
_cell_length_c 8.8402
_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 | 0e37cb70-6ec3-4699-a975-11bb25638a1c | mp-1209004 | Move the atom at index 20 by [-2.6 -1.449 -0.901] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se10
_chemical_formula_sum "Sc4 Tl2 Cu6 Se10"
_cell_length_a 7.44609395
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.97807307000002
_space_gro... | data_image0
_chemical_formula_structural Sc4Tl2Cu6Se10
_chemical_formula_sum "Sc4 Tl2 Cu6 Se10"
_cell_length_a 7.44609395
_cell_length_b 7.446093949999999
_cell_length_c 16.384875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.97807307000002
_space_gro... |
MoveAtomAction | 0858de60-71c9-4ab7-bb6d-20eebdee7fbd | mp-569221 | Move the atom at index 14 by [-2.778 -1.126 3.818] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm2C12N18
_chemical_formula_sum "Sm2 C12 N18"
_cell_length_a 7.10072599
_cell_length_b 7.10072599
_cell_length_c 10.592717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.80041197
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sm2C12N18
_chemical_formula_sum "Sm2 C12 N18"
_cell_length_a 7.10072599
_cell_length_b 7.10072599
_cell_length_c 10.592717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.80041197
_space_group_name_H-M_alt "P ... |
MoveAtomAction | f9e0761c-b44a-4bed-a805-6b83466d98fe | mp-1193989 | Move the atom at index 0 by [ 4.634 -1.962 -3.485] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Tb8S16
_chemical_formula_sum "Sr4 Tb8 S16"
_cell_length_a 4.00512644
_cell_length_b 12.04160878
_cell_length_c 14.38451258
_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 Sr4Tb8S16
_chemical_formula_sum "Sr4 Tb8 S16"
_cell_length_a 4.00512644
_cell_length_b 12.04160878
_cell_length_c 14.38451258
_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 | ed55905e-01f8-492a-a76e-e51fc882a6d0 | mp-1191504 | Move the atom at index 2 by [-2.183 -1.687 -1.47 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe2S4N2O16
_chemical_formula_sum "Fe2 S4 N2 O16"
_cell_length_a 4.89555972
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Fe2S4N2O16
_chemical_formula_sum "Fe2 S4 N2 O16"
_cell_length_a 4.89555972
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-M_alt "... |
MoveAtomAction | 2652eabe-8c2f-4be0-9d01-a43601fe43e2 | mp-2647063 | Move the atom at index 5 by [-1.272 0.171 1.717] angstrom in the cif file. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 6.02991438
_cell_length_b 10.484943
_cell_length_c 6.698872009999999
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 6.02991438
_cell_length_b 10.484943
_cell_length_c 6.698872009999999
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveAtomAction | 89b40e2e-2009-4c65-a915-495da1b1618b | mp-697575 | Move the atom at index 1 by [ 1.387 -4.62 0.138] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_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 Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_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 | f542a171-9e30-4e8e-b6c5-4533e750f8a7 | mp-1221254 | Move the atom at index 16 by [ 1.685 -0.488 -2.916] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3LiFe4Si8O24
_chemical_formula_sum "Na3 Li1 Fe4 Si8 O24"
_cell_length_a 8.865361
_cell_length_b 5.363603
_cell_length_c 9.595583719999999
_cell_angle_alpha 76.10847183
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Na3LiFe4Si8O24
_chemical_formula_sum "Na3 Li1 Fe4 Si8 O24"
_cell_length_a 8.865361
_cell_length_b 5.363603
_cell_length_c 9.595583719999999
_cell_angle_alpha 76.10847183
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
MoveAtomAction | b730505a-ef32-4a29-ab25-3d41383731dd | mp-1518063 | Move the atom at index 6 by [-1.612 -1.878 -0.377] angstrom in the cif file. | data_image0
_chemical_formula_structural SrCeEuNiO6
_chemical_formula_sum "Sr1 Ce1 Eu1 Ni1 O6"
_cell_length_a 5.75872947
_cell_length_b 5.75872947
_cell_length_c 5.75872947
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural SrCeEuNiO6
_chemical_formula_sum "Sr1 Ce1 Eu1 Ni1 O6"
_cell_length_a 5.75872947
_cell_length_b 5.75872947
_cell_length_c 5.75872947
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
MoveAtomAction | e1812ab6-fdb6-461e-8f39-b2fb31d60990 | mp-18672 | Move the atom at index 0 by [-2.956 0.091 -1.615] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Dy4Cu6Se10
_chemical_formula_sum "Cs2 Dy4 Cu6 Se10"
_cell_length_a 7.63432858
_cell_length_b 7.63432858
_cell_length_c 17.431245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.53848154999997
_space_group_name... | data_image0
_chemical_formula_structural Cs2Dy4Cu6Se10
_chemical_formula_sum "Cs2 Dy4 Cu6 Se10"
_cell_length_a 7.63432858
_cell_length_b 7.63432858
_cell_length_c 17.431245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.53848154999997
_space_group_name... |
MoveAtomAction | 44d8462f-b050-4c79-b699-2ac445be0dd3 | mp-1099676 | Move the atom at index 22 by [-1.795 0.812 -0.623] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Sr4CoCu7O24
_chemical_formula_sum "Ba4 Sr4 Co1 Cu7 O24"
_cell_length_a 7.91666219
_cell_length_b 7.91666219
_cell_length_c 7.92090246
_cell_angle_alpha 89.93417752
_cell_angle_beta 89.93417752
_cell_angle_gamma 90.00985648
_spac... | data_image0
_chemical_formula_structural Ba4Sr4CoCu7O24
_chemical_formula_sum "Ba4 Sr4 Co1 Cu7 O24"
_cell_length_a 7.91666219
_cell_length_b 7.91666219
_cell_length_c 7.92090246
_cell_angle_alpha 89.93417752
_cell_angle_beta 89.93417752
_cell_angle_gamma 90.00985648
_spac... |
MoveAtomAction | 77e791f2-1e8b-4925-aa35-12462ab5a900 | mp-674849 | Move the atom at index 0 by [ 0.524 -0.03 -1.263] angstrom in the cif file. | data_image0
_chemical_formula_structural Tl2Bi2F8
_chemical_formula_sum "Tl2 Bi2 F8"
_cell_length_a 3.70604173
_cell_length_b 8.34217287
_cell_length_c 6.30028742
_cell_angle_alpha 97.25011112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Tl2Bi2F8
_chemical_formula_sum "Tl2 Bi2 F8"
_cell_length_a 3.70604173
_cell_length_b 8.34217287
_cell_length_c 6.30028742
_cell_angle_alpha 97.25011112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveAtomAction | cc26d3d8-b428-4eb0-b508-5654e6b229b3 | mp-2231186 | Move the atom at index 5 by [-1.126 -1.136 0.872] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2MgMo2P2Cl2O10
_chemical_formula_sum "Rb2 Mg1 Mo2 P2 Cl2 O10"
_cell_length_a 6.67572734
_cell_length_b 6.67572734
_cell_length_c 7.605368190000001
_cell_angle_alpha 97.32842016
_cell_angle_beta 82.67157984
_cell_angle_gamma 87.974... | data_image0
_chemical_formula_structural Rb2MgMo2P2Cl2O10
_chemical_formula_sum "Rb2 Mg1 Mo2 P2 Cl2 O10"
_cell_length_a 6.67572734
_cell_length_b 6.67572734
_cell_length_c 7.605368190000001
_cell_angle_alpha 97.32842016
_cell_angle_beta 82.67157984
_cell_angle_gamma 87.974... |
MoveAtomAction | ed6c9a18-ba43-4a1b-aa0c-54fa85070a90 | mp-1188654 | Move the atom at index 14 by [ 1.588 -2.21 1.636] angstrom in the cif file. | data_image0
_chemical_formula_structural W4N4Cl12
_chemical_formula_sum "W4 N4 Cl12"
_cell_length_a 8.12441992
_cell_length_b 8.26346325
_cell_length_c 9.19329053
_cell_angle_alpha 97.92750325
_cell_angle_beta 107.37182531999999
_cell_angle_gamma 110.76745427000002
_space... | data_image0
_chemical_formula_structural W4N4Cl12
_chemical_formula_sum "W4 N4 Cl12"
_cell_length_a 8.12441992
_cell_length_b 8.26346325
_cell_length_c 9.19329053
_cell_angle_alpha 97.92750325
_cell_angle_beta 107.37182531999999
_cell_angle_gamma 110.76745427000002
_space... |
MoveAtomAction | 2ebf06ea-138d-409e-93db-ea13ce3130fb | mp-1220278 | Move the atom at index 21 by [-3.006 5.297 0.712] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Fe4Co12B3C
_chemical_formula_sum "Nd4 Fe4 Co12 B3 C1"
_cell_length_a 5.11753671
_cell_length_b 5.11753671
_cell_length_c 13.469371
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000916999998
_space_group_na... | data_image0
_chemical_formula_structural Nd4Fe4Co12B3C
_chemical_formula_sum "Nd4 Fe4 Co12 B3 C1"
_cell_length_a 5.11753671
_cell_length_b 5.11753671
_cell_length_c 13.469371
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000916999998
_space_group_na... |
MoveAtomAction | fb2688f4-30c4-4d7c-ba35-2b7abbc5c8d7 | mp-1196561 | Move the atom at index 85 by [-2.893 -1.228 -2.559] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti42Re50
_chemical_formula_sum "Ti42 Re50"
_cell_length_a 8.453088
_cell_length_b 14.76805591
_cell_length_c 14.76805543
_cell_angle_alpha 116.44860863999999
_cell_angle_beta 100.99928139
_cell_angle_gamma 100.99928102
_space_group... | data_image0
_chemical_formula_structural Ti42Re50
_chemical_formula_sum "Ti42 Re50"
_cell_length_a 8.453088
_cell_length_b 14.76805591
_cell_length_c 14.76805543
_cell_angle_alpha 116.44860863999999
_cell_angle_beta 100.99928139
_cell_angle_gamma 100.99928102
_space_group... |
MoveAtomAction | fa2696f4-fffd-415f-9d99-0da6fe5ad19c | mp-1190979 | Move the atom at index 2 by [ 0.169 3.204 -1.172] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc16Ir8
_chemical_formula_sum "Sc16 Ir8"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Sc16Ir8
_chemical_formula_sum "Sc16 Ir8"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_spac... |
MoveAtomAction | aff3eefd-d384-49c9-89f4-b65e46cb4c6a | mp-2231797 | Move the atom at index 18 by [1.603 0.73 0.324] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe2Co4O12
_chemical_formula_sum "Mg1 Fe2 Co4 O12"
_cell_length_a 5.00219592
_cell_length_b 5.006155779999999
_cell_length_c 9.93334793
_cell_angle_alpha 82.67082552
_cell_angle_beta 86.75204574000001
_cell_angle_gamma 60.085190819... | data_image0
_chemical_formula_structural MgFe2Co4O12
_chemical_formula_sum "Mg1 Fe2 Co4 O12"
_cell_length_a 5.00219592
_cell_length_b 5.006155779999999
_cell_length_c 9.93334793
_cell_angle_alpha 82.67082552
_cell_angle_beta 86.75204574000001
_cell_angle_gamma 60.085190819... |
MoveAtomAction | f10a733f-7aaa-437a-af53-f558fb7f9d8f | mp-780492 | Move the atom at index 20 by [-2.887 0.165 0.894] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4VP6H8O22
_chemical_formula_sum "Li4 V1 P6 H8 O22"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 8.50755926
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cell_angle_gamma 85.81388336000002
_... | data_image0
_chemical_formula_structural Li4VP6H8O22
_chemical_formula_sum "Li4 V1 P6 H8 O22"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 8.50755926
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cell_angle_gamma 85.81388336000002
_... |
MoveAtomAction | 339f74f7-4a83-4c8f-b263-6b2ca7573bbb | mp-1217308 | Move the atom at index 23 by [-0.724 -0.647 0.053] angstrom in the cif file. | data_image0
_chemical_formula_structural Tl2P6N4O24
_chemical_formula_sum "Tl2 P6 N4 O24"
_cell_length_a 11.73209994
_cell_length_b 11.73209994
_cell_length_c 11.732099939999998
_cell_angle_alpha 140.19938611
_cell_angle_beta 140.19938610999998
_cell_angle_gamma 57.5506841... | data_image0
_chemical_formula_structural Tl2P6N4O24
_chemical_formula_sum "Tl2 P6 N4 O24"
_cell_length_a 11.73209994
_cell_length_b 11.73209994
_cell_length_c 11.732099939999998
_cell_angle_alpha 140.19938611
_cell_angle_beta 140.19938610999998
_cell_angle_gamma 57.5506841... |
MoveAtomAction | 0cd6d923-6e74-4445-8443-feeee8ae87b5 | mp-690554 | Move the atom at index 24 by [-3.582 2.738 -0.38 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr5La5CuNi4O20
_chemical_formula_sum "Sr5 La5 Cu1 Ni4 O20"
_cell_length_a 19.32603118
_cell_length_b 8.65338858
_cell_length_c 6.85316372
_cell_angle_alpha 112.30009056
_cell_angle_beta 106.43825166999999
_cell_angle_gamma 26.524981... | data_image0
_chemical_formula_structural Sr5La5CuNi4O20
_chemical_formula_sum "Sr5 La5 Cu1 Ni4 O20"
_cell_length_a 19.32603118
_cell_length_b 8.65338858
_cell_length_c 6.85316372
_cell_angle_alpha 112.30009056
_cell_angle_beta 106.43825166999999
_cell_angle_gamma 26.524981... |
MoveAtomAction | 44f5a221-cfe6-4567-a5ef-3d70daca7083 | mp-753310 | Move the atom at index 1 by [-2.142 -2.074 1.589] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Cr3CuO8
_chemical_formula_sum "Li2 Cr3 Cu1 O8"
_cell_length_a 5.90868671
_cell_length_b 5.90868671
_cell_length_c 5.9086867
_cell_angle_alpha 59.47817554000001
_cell_angle_beta 59.47817554000001
_cell_angle_gamma 59.4781801200000... | data_image0
_chemical_formula_structural Li2Cr3CuO8
_chemical_formula_sum "Li2 Cr3 Cu1 O8"
_cell_length_a 5.90868671
_cell_length_b 5.90868671
_cell_length_c 5.9086867
_cell_angle_alpha 59.47817554000001
_cell_angle_beta 59.47817554000001
_cell_angle_gamma 59.4781801200000... |
MoveAtomAction | 7808754c-35da-4282-a2bd-2333b0cd61ee | mp-777904 | Move the atom at index 19 by [ 0.431 -1.34 -1.27 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti6Cr2O16
_chemical_formula_sum "Li4 Ti6 Cr2 O16"
_cell_length_a 5.89554411
_cell_length_b 5.8955441099999994
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000123
_space_group_name_... | data_image0
_chemical_formula_structural Li4Ti6Cr2O16
_chemical_formula_sum "Li4 Ti6 Cr2 O16"
_cell_length_a 5.89554411
_cell_length_b 5.8955441099999994
_cell_length_c 9.646889
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000123
_space_group_name_... |
MoveAtomAction | 4c636c52-1e13-48ed-8635-42960c3e6280 | mp-1196758 | Move the atom at index 31 by [-1.56 0.415 1.958] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Cd4B12O24
_chemical_formula_sum "K4 Cd4 B12 O24"
_cell_length_a 7.56052219
_cell_length_b 7.560522190000001
_cell_length_c 12.41404401
_cell_angle_alpha 82.29743995999999
_cell_angle_beta 82.29743995999999
_cell_angle_gamma 123.18... | data_image0
_chemical_formula_structural K4Cd4B12O24
_chemical_formula_sum "K4 Cd4 B12 O24"
_cell_length_a 7.56052219
_cell_length_b 7.560522190000001
_cell_length_c 12.41404401
_cell_angle_alpha 82.29743995999999
_cell_angle_beta 82.29743995999999
_cell_angle_gamma 123.18... |
MoveAtomAction | 34afa75b-523a-46c8-8c68-0815bf5301ed | mp-1045681 | Move the atom at index 19 by [ 0.183 -2.4 4.163] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... |
MoveAtomAction | 10e728f7-e293-4e7b-9450-aa65f66a8cb9 | mp-1176929 | Move the atom at index 24 by [-1.949 3.609 1.808] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227000000... | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227000000... |
MoveAtomAction | 11f7a289-c35d-410e-b51a-fde5e8c94c04 | mp-31180 | Move the atom at index 7 by [ 1.086 -2.953 0.191] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy2Al8Ni2
_chemical_formula_sum "Dy2 Al8 Ni2"
_cell_length_a 4.04611252
_cell_length_b 6.54957622
_cell_length_c 7.92753761
_cell_angle_alpha 90.0
_cell_angle_beta 104.78503715
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Dy2Al8Ni2
_chemical_formula_sum "Dy2 Al8 Ni2"
_cell_length_a 4.04611252
_cell_length_b 6.54957622
_cell_length_c 7.92753761
_cell_angle_alpha 90.0
_cell_angle_beta 104.78503715
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveAtomAction | 2aef6d73-cbfd-4580-a20e-c17f7ebb4598 | mp-510056 | Move the atom at index 9 by [-2.258 -0.451 0.701] angstrom in the cif file. | data_image0
_chemical_formula_structural CaV4Cu3O12
_chemical_formula_sum "Ca1 V4 Cu3 O12"
_cell_length_a 6.41600809
_cell_length_b 6.41600809
_cell_length_c 6.41600809
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural CaV4Cu3O12
_chemical_formula_sum "Ca1 V4 Cu3 O12"
_cell_length_a 6.41600809
_cell_length_b 6.41600809
_cell_length_c 6.41600809
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... |
MoveAtomAction | 8a479d42-de4c-462c-9d53-5e7384c2be6d | mp-774255 | Move the atom at index 23 by [2.758 2.375 1.114] angstrom in the cif file. | data_image0
_chemical_formula_structural K6Cr2P2C2O14
_chemical_formula_sum "K6 Cr2 P2 C2 O14"
_cell_length_a 9.94343236
_cell_length_b 6.807099
_cell_length_c 5.733245119999999
_cell_angle_alpha 89.99848373
_cell_angle_beta 88.62955287
_cell_angle_gamma 90.00328154
_spac... | data_image0
_chemical_formula_structural K6Cr2P2C2O14
_chemical_formula_sum "K6 Cr2 P2 C2 O14"
_cell_length_a 9.94343236
_cell_length_b 6.807099
_cell_length_c 5.733245119999999
_cell_angle_alpha 89.99848373
_cell_angle_beta 88.62955287
_cell_angle_gamma 90.00328154
_spac... |
MoveAtomAction | e938663f-d8f5-4c12-b3d2-29fda8ef868f | mp-11609 | Move the atom at index 0 by [-1.417 -2.476 0.597] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | 7edcc75f-97d4-489a-946b-636a9ffd5aca | mp-680722 | Move the atom at index 31 by [1.631 1.602 0.411] angstrom in the cif file. | data_image0
_chemical_formula_structural As4Pb28Cl8O34
_chemical_formula_sum "As4 Pb28 Cl8 O34"
_cell_length_a 13.19017083
_cell_length_b 13.19017083
_cell_length_c 11.50358125
_cell_angle_alpha 76.55109875
_cell_angle_beta 76.55109875
_cell_angle_gamma 121.34357819000002
... | data_image0
_chemical_formula_structural As4Pb28Cl8O34
_chemical_formula_sum "As4 Pb28 Cl8 O34"
_cell_length_a 13.19017083
_cell_length_b 13.19017083
_cell_length_c 11.50358125
_cell_angle_alpha 76.55109875
_cell_angle_beta 76.55109875
_cell_angle_gamma 121.34357819000002
... |
MoveAtomAction | 40dc558a-b5a6-49d9-8f9e-a6a61d451ae8 | mp-10834 | Move the atom at index 3 by [-0.195 0.857 -0.945] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Nd4Cu2S8
_chemical_formula_sum "Rb2 Nd4 Cu2 S8"
_cell_length_a 7.34774261
_cell_length_b 7.34774261
_cell_length_c 14.03353693
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.70587414
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Rb2Nd4Cu2S8
_chemical_formula_sum "Rb2 Nd4 Cu2 S8"
_cell_length_a 7.34774261
_cell_length_b 7.34774261
_cell_length_c 14.03353693
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.70587414
_space_group_name_H-M_alt... |
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