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 |
|---|---|---|---|---|---|
MoveSelectedAtomsAction | b839043e-cb91-404c-94e1-d38f49c00395 | mp-1233053 | Move atoms at indices [3, 15, 17, 19, 6, 8, 22, 21, 14, 13, 5, 12, 11, 10, 16, 2, 4, 23, 18, 0, 20, 1] by [-2.615 1.845 -1.759] 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... |
MoveSelectedAtomsAction | ac40e08c-9bb3-4f6a-aa62-9b2206bb849f | mp-3887 | Move atoms at indices [37, 19, 29, 36, 40, 9, 28, 14, 2, 1, 12, 30, 23, 7, 33, 11, 39, 46, 13, 45, 17, 42, 20, 38, 41, 43, 24, 15, 34, 6, 22, 26, 31] by [-4.644 -0.405 -0.22 ] 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... |
MoveSelectedAtomsAction | 0607f964-8989-40ee-8f01-03af0c65b776 | mp-652961 | Move atoms at indices [31, 9, 5, 2, 42, 26, 40, 39, 14] by [2.143 0.246 1.458] 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... |
MoveSelectedAtomsAction | 1893e9fd-1166-493a-8af8-184ccb6416b7 | mp-630927 | Move atoms at indices [0, 1] by [-1.975 -1.118 -0.006] 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... |
MoveSelectedAtomsAction | 4ee54e7e-816d-446d-953c-cb0d458eacc6 | mp-625941 | Move atoms at indices [1, 6, 7, 8, 9, 12, 3, 4, 0, 10, 2, 11, 5] by [2.274 0.243 0.769] 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... |
MoveSelectedAtomsAction | d1e1f991-ffa8-4c6b-a4cb-258aeb42b4ac | mp-754697 | Move atoms at indices [5, 14, 25] by [ 1.102 -3.95 0.13 ] 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... |
MoveSelectedAtomsAction | 52d61c12-c9c7-4639-a91e-39600d78f32f | mp-1113179 | Move atoms at indices [6, 4, 5, 2, 9] by [3.083 1.32 0.293] 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... |
MoveSelectedAtomsAction | f84f189a-387c-40a1-a92f-db8b7056e4fc | mp-1234758 | Move atoms at indices [38, 32, 6, 18, 4, 23, 10, 37, 3, 2, 29, 1, 19, 43, 36, 44, 12, 33, 22, 27, 30, 25, 20, 31, 0, 24, 28, 40, 41, 39, 21, 16, 17, 15, 8, 14, 11, 34, 5, 9] by [ 1.663 -1.151 -0.478] 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... |
MoveSelectedAtomsAction | 3b6d74e5-7490-45de-ab30-e5506b518424 | mp-1247343 | Move atoms at indices [14, 20, 13, 1, 18, 0, 11, 9, 3, 12, 5, 10, 4, 15, 21, 7, 17] by [ 1.209 -1.731 0.854] 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... |
MoveSelectedAtomsAction | 986b782f-3c4b-4b3d-9a58-8f9eaff23457 | mp-1028304 | Move atoms at indices [14] by [-0.451 -0.185 -0.811] 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 ... |
MoveSelectedAtomsAction | ce636e55-c808-4620-ac0a-c1993d802e4d | mp-680301 | Move atoms at indices [49, 9, 48, 18, 58, 2, 31, 28, 36, 57, 35, 43, 10, 41, 59, 34, 39, 40, 3, 45, 19, 53] by [-1.136 1.977 1.103] 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... |
MoveSelectedAtomsAction | 1db5122d-63bf-4f4b-949b-e74b2d3e0f87 | mp-777845 | Move atoms at indices [5, 13, 7, 12, 6, 9, 16, 4, 15, 10, 2, 0, 8, 11, 1, 14] by [-2.329 0.168 -1.624] 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... |
MoveSelectedAtomsAction | 085d01e4-cc41-498e-8a94-c137e291506f | mp-1106129 | Move atoms at indices [10, 16, 13, 14, 5, 15, 1, 9, 6, 7] by [-0.729 0.788 1.467] 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... |
MoveSelectedAtomsAction | 8847b007-227b-4859-baca-298743a1a8a2 | mp-558497 | Move atoms at indices [45, 30, 17, 14, 31, 48, 44, 29, 50, 39, 21, 40] by [ 0.918 -0.665 -1.646] 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... |
MoveSelectedAtomsAction | 1c067213-34a7-4452-bc02-22e12bdf1172 | mp-866339 | Move atoms at indices [5, 32, 13, 0, 18, 34, 27, 8, 26, 17, 23, 3, 4, 12, 24, 28, 19, 20, 31, 14, 2, 10, 6, 11, 15] by [ 1.92 -0.801 -0.685] 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... |
MoveSelectedAtomsAction | f4a65945-e229-4e32-a4c7-16d9a09c2e3d | mp-1647971 | Move atoms at indices [13, 5, 21, 8, 22, 32, 24, 46, 15, 2, 9, 11, 28] by [-0.502 2.683 4.328] 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... |
MoveSelectedAtomsAction | d0722ab3-37d5-4385-b046-1ec1c763911c | mp-1028023 | Move atoms at indices [13, 9, 14, 11, 5, 2, 6, 8] by [ 2.016 -0.307 -1.367] 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"... |
MoveSelectedAtomsAction | e8cd121e-74a8-418a-8e27-ad386cd29bac | mp-680301 | Move atoms at indices [56, 40, 43, 29, 53, 49, 3, 10, 23, 34, 30, 32, 46, 5, 1, 55, 47, 50, 13, 27, 45, 25, 14, 52, 12, 22, 6, 31, 39, 41, 33] by [-0.649 -1.671 -2.148] 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... |
MoveSelectedAtomsAction | 9112a1d4-3745-4523-8877-313e606600f5 | mp-1247343 | Move atoms at indices [22, 14] by [-2.247 -0.555 0.72 ] 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... |
MoveSelectedAtomsAction | cf161d90-cf90-4488-96c4-12810a30c10d | mp-1221251 | Move atoms at indices [25, 0, 4, 1, 11] by [-0.254 1.899 0.785] 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... |
MoveSelectedAtomsAction | 448a0fb2-3c94-4554-a9db-c2116b91cee7 | mp-768784 | Move atoms at indices [3, 4, 55, 23, 48, 16, 46, 71, 47, 40, 70, 64, 19, 52, 67, 34, 69, 36, 62, 1, 42, 24, 68, 66, 56, 38, 65, 59, 6, 63, 9, 7, 43, 58, 35, 53, 30, 25, 51, 18, 60, 22, 5, 39, 26, 57, 50, 20, 2, 37, 44] by [ 0.145 -5.642 -1.213] 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... |
MoveSelectedAtomsAction | 8f49a850-a91b-43c1-bcfd-9791803d4c9f | mp-1209619 | Move atoms at indices [2, 5, 9, 7, 0, 4] by [-0.451 3.031 1.098] 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_... |
MoveSelectedAtomsAction | f665dd65-a27b-4ef7-b099-9979afef64fe | mp-770612 | Move atoms at indices [35, 81, 13, 21, 50, 77, 62, 78, 49, 76, 29, 4, 0, 34, 55, 37, 63, 66, 45, 24, 8, 58, 51, 64, 54, 65, 56, 22, 48, 38, 14, 79, 59, 18, 10, 11, 43, 2, 3, 42, 52, 23, 41, 69, 33, 39, 36, 15, 82, 60, 27, 5, 57, 7, 31, 72, 83, 53, 61, 46, 20, 30, 75, 12, 6, 9, 44, 16, 28, 68, 26, 19, 74, 73, 40, 17, 67... | 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... |
MoveSelectedAtomsAction | a4420970-1c51-46b7-987d-2f4efd8f616b | mp-1006615 | Move atoms at indices [30, 42, 9] by [3.44 1.37 0.089] 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"
_... |
MoveSelectedAtomsAction | 11ea7341-41e2-4d4c-be55-0b38ac1ea1f9 | mp-3653 | Move atoms at indices [15, 5, 8, 7, 16, 4, 17, 1, 10, 9, 11, 6, 14, 12, 13, 0] by [-2.567 0.814 -3.107] 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... |
MoveSelectedAtomsAction | 7eecb881-d72e-41a5-89d5-cf8c745bc231 | mp-571384 | Move atoms at indices [3, 9, 4, 12] by [0.31 2.998 1.516] 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... |
MoveSelectedAtomsAction | 3f242b2f-e305-4c45-aeea-643ae7133da3 | mp-1101293 | Move atoms at indices [11, 32, 20, 23, 26, 2, 28, 15, 4, 22] by [ 2.847 0.972 -1.297] 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... |
MoveSelectedAtomsAction | 8ffd24be-c6e0-418a-8858-288a4f6e257c | mp-1226365 | Move atoms at indices [9, 10, 3] by [-0.195 -1.451 0.268] 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... |
MoveSelectedAtomsAction | a29b1e9c-dfd4-4080-9d00-46fbbd2d9fe3 | mp-1247343 | Move atoms at indices [9, 22, 3, 24, 21, 5, 8] by [ 0.389 -2.726 -1.124] 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... |
MoveSelectedAtomsAction | 17029fa7-83de-4a4b-bfdf-77c42835bba4 | mp-779515 | Move atoms at indices [26, 25] by [-1.390e-01 2.137e+00 1.000e-03] 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... |
MoveSelectedAtomsAction | e05a335f-c733-4d75-be87-92159e9cc79c | mp-627632 | Move atoms at indices [0] by [-2.331 0.809 1.243] 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... |
MoveSelectedAtomsAction | b44edd35-6f17-41fe-8550-3b6e871161c7 | mp-1220089 | Move atoms at indices [11, 8, 5, 2, 10, 12, 9, 7, 3, 0, 1, 15, 6, 14, 13] by [-2.493 4.413 1.696] 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... |
MoveSelectedAtomsAction | 8fca291c-3eb3-4cab-b184-93cad774eae3 | mp-558350 | Move atoms at indices [38, 54, 41, 42, 2, 12, 55, 37, 36, 22, 34, 25, 26, 45, 52, 44, 23, 35, 4, 29, 15, 0, 8, 7, 16, 61, 31, 6, 58, 33, 27, 47, 9, 14, 59, 63, 43, 13, 48, 3, 56, 53, 51, 60, 18, 10] by [ 1.257 -2.482 2.234] 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 ... |
MoveSelectedAtomsAction | 2c2e6677-37de-4795-8f6b-42283addc065 | mp-31502 | Move atoms at indices [1, 6, 13, 12] by [ 1.534 0.893 -1.434] 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 "... |
MoveSelectedAtomsAction | cd6a0be2-0be4-4bfe-a710-8c9e34c688f2 | mp-1102412 | Move atoms at indices [6, 3, 4, 10, 0, 8, 2, 7] by [-1.923 -1.247 3.082] 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 "... |
MoveSelectedAtomsAction | 950a467a-67a3-4d46-8c84-ba9feab610e6 | mp-1214552 | Move atoms at indices [14, 5, 41, 47, 4, 1, 13, 17, 42, 33, 37, 20, 30, 27, 26, 9, 2, 53, 28, 45, 29, 0] by [-0.044 -0.588 -1.238] 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
_... |
MoveSelectedAtomsAction | 6c673f03-ce1f-41f7-bba4-b8fd7c731c54 | mp-1223668 | Move atoms at indices [1, 3, 6, 7, 9, 11, 12, 10, 0, 4, 2, 5, 8] by [-0.315 0.257 1.864] 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
... |
MoveSelectedAtomsAction | 010a276f-7570-4c50-ae6d-ded70689a79d | mp-18010 | Move atoms at indices [1, 2, 21, 5, 18, 22, 0, 13, 8, 15, 9, 23, 7, 4, 24, 19, 16, 3, 14, 25, 12, 17] by [ 0.893 -0.4 1.803] 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"
... |
MoveSelectedAtomsAction | 42767b5f-659b-4fa9-a2da-aa35529e610a | mp-1519716 | Move atoms at indices [34, 9, 2, 25, 27, 16, 32, 12, 21, 20, 18, 23] by [-0.537 -0.365 0.987] 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 ... |
MoveSelectedAtomsAction | 6f1a647d-5a24-4afd-ac8f-1c2da7df9613 | mp-20083 | Move atoms at indices [7, 2, 5, 10, 9, 6, 1, 4, 8] by [0.642 3.33 2.213] 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... |
MoveSelectedAtomsAction | aff1f355-e72b-4988-a4ed-bdb945adae4d | mp-772223 | Move atoms at indices [45, 16, 12, 22, 46, 9, 19] by [-0.126 2.42 2.935] 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 ... |
MoveSelectedAtomsAction | b1813073-89b1-44ef-8819-0ea7122cf8c7 | mp-1026412 | Move atoms at indices [10, 7, 0, 4, 15, 3, 9, 12, 1, 8, 2] by [-0.256 1.146 -1.002] 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... |
MoveSelectedAtomsAction | b709b30e-6599-496e-b7bb-387d4c4890b0 | mp-762529 | Move atoms at indices [4, 13] by [ 0.36 0.385 -0.904] 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... |
MoveSelectedAtomsAction | b637d098-ef36-4c44-9984-a4b85ea3938e | mp-1042942 | Move atoms at indices [12, 0, 11, 4] by [-1.78 2.802 0.357] 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_... |
MoveSelectedAtomsAction | 1a62be88-3e7f-4e4a-bfa0-fcf206df9898 | mp-2228739 | Move atoms at indices [6, 10, 1, 5, 4, 14, 11, 12, 0, 3, 13, 8, 9] by [ 3.707 -1.181 -2.155] 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... |
MoveSelectedAtomsAction | a8604b86-72fb-40fd-94a3-ffbaae61c4d2 | mp-1235631 | Move atoms at indices [0, 3, 7, 1, 5, 8, 9, 10] by [-1.553 -1.43 2.808] 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... |
MoveSelectedAtomsAction | 9a3d846f-ecf3-4792-861e-93ea51748455 | mp-778500 | Move atoms at indices [51, 65, 3, 47, 8, 52, 7, 67, 64, 15, 1, 42, 19, 56, 10, 11, 31, 26, 53, 38, 34, 23, 68, 35, 45, 5, 16, 13, 32, 62] by [ 2.555 -4.911 -3.286] 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
... |
MoveSelectedAtomsAction | adcb2598-7104-46ab-98ab-b45a1d9f7b69 | mp-1246200 | Move atoms at indices [20, 11, 19, 24, 4, 28, 22, 31, 12, 23, 15, 13, 30, 21, 16, 7, 3] by [ 0.41 1.725 -0.071] 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"
... |
MoveSelectedAtomsAction | 9bfc1b37-4b20-45d6-b3e2-c84cc6fe91e7 | mp-1216954 | Move atoms at indices [4, 5, 10, 14, 7, 8, 12, 17] by [ 1.368 -1.649 1.744] 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... |
MoveSelectedAtomsAction | 2668ad01-a3a6-406d-b8d4-88c7760ea4fa | mp-1214127 | Move atoms at indices [9, 37, 30, 51, 39, 68, 48, 34, 54, 53, 5, 58, 66, 6, 15, 50, 77, 3, 19, 60, 56, 76, 63, 2, 64, 11, 61, 24, 26, 33, 47, 71, 73, 12, 79, 40, 17, 70, 69, 18, 44, 0, 32, 55, 67, 38, 78, 57, 65, 29, 62, 4] by [-0.472 -0.341 -0.485] 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... |
MoveSelectedAtomsAction | 4b6e7da6-a587-4cf9-8096-41280df32e66 | mp-770718 | Move atoms at indices [7, 22, 11, 25, 18, 28, 32, 17, 29, 20, 12, 21, 14, 6, 13, 35, 27, 5, 10, 34, 8, 2, 15, 19, 16, 0] by [-1.758 -4.405 2.711] 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_... |
MoveSelectedAtomsAction | 494be088-d370-4b23-8536-1aa6cfaf58fe | mp-3824 | Move atoms at indices [12, 14, 10, 4, 5, 9, 3, 7] by [ 3.257 0.88 -1.296] 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... |
MoveSelectedAtomsAction | cfc07b3b-daad-498e-8769-cf60f1376329 | mp-9511 | Move atoms at indices [11, 12, 9, 15, 5, 4, 0, 3, 7, 13, 6, 2, 10, 8, 1] by [-0.543 3.11 -0.808] 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 ... |
MoveSelectedAtomsAction | 988776ac-32e8-4d64-976e-9e6ab651ac7d | mp-555792 | Move atoms at indices [14, 12, 15, 2, 13, 11, 17, 1, 5, 16, 6, 10, 8, 4, 9, 3] by [-2.156 1.728 1.821] 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
... |
MoveSelectedAtomsAction | cb45d6f5-3830-4359-a7d0-5bb0ecbf8960 | mp-767746 | Move atoms at indices [6, 14, 24, 3, 30, 12, 7, 17, 28, 27, 25, 23, 19, 5, 26, 2, 4, 20, 11, 0, 16, 8, 1, 9, 22, 32, 15, 29, 13, 10] by [1.476 2.504 0.252] 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... |
MoveSelectedAtomsAction | 6dd4e7c8-fdf9-4565-90cd-8ec6c2e84722 | mp-2230290 | Move atoms at indices [16, 10, 3, 9, 4, 13, 12, 15] by [ 0.498 1.42 -6.124] 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... |
MoveSelectedAtomsAction | 53a28d62-ff1d-4d28-a142-5234bcfd6af2 | mp-1223717 | Move atoms at indices [38, 13, 36, 27, 17, 19, 16, 11, 28, 0, 31, 32, 3, 15, 23, 10, 39, 2, 12, 34, 26, 4, 30, 6, 7, 29, 20, 37, 8, 40, 21, 14, 18, 25, 41] by [ 0.838 0.84 -1.224] 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... |
MoveSelectedAtomsAction | ded3c217-83bc-4061-adbe-b19759870491 | mp-31908 | Move atoms at indices [34, 13, 12, 4, 38, 3, 24, 8, 16, 39, 27, 21, 5, 7, 0] by [ 2.297 0.729 -6.75 ] 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... |
MoveSelectedAtomsAction | 43fe8f8f-cc03-4a7d-b8aa-bb1be38b0ba1 | mp-1177762 | Move atoms at indices [21, 20, 8, 3, 17, 2, 11, 5, 31, 29, 15, 9, 26, 13, 19, 18, 24, 25, 16, 30, 0, 14] by [-0.851 0.402 6.921] 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... |
MoveSelectedAtomsAction | ade2634c-42d8-4f4c-876c-20e781515f28 | mp-618177 | Move atoms at indices [6, 4, 15, 20, 27, 12, 16, 2, 19, 3, 17, 18, 0, 10, 1, 23, 11, 5, 22, 9, 8, 13, 24, 25, 14, 7, 26] by [ 1.422 -0.383 4.113] 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... |
MoveSelectedAtomsAction | 2b3c7ac6-8257-48ea-ab3f-d40cc918fa9b | mp-1214678 | Move atoms at indices [13, 9, 27, 31, 43, 33, 24, 28, 42, 0, 17, 21, 1, 44, 5, 19, 32, 23, 20, 25, 3, 16, 41, 8, 12, 4, 35, 34, 38, 14, 29, 36, 2, 37, 7, 45, 39] by [ 0.851 -5.147 1.9 ] 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... |
MoveSelectedAtomsAction | 7c43986b-141f-489e-9404-b2a3fb96d63a | mp-2232781 | Move atoms at indices [10, 0, 14, 15, 9, 16] by [-0.351 1.863 0.889] 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... |
MoveSelectedAtomsAction | 411b6a9c-4521-457d-8e18-826d735f44d7 | mp-754324 | Move atoms at indices [14, 4, 11, 8, 2, 7, 12, 13, 15, 10, 5, 6, 1, 0, 3] by [-0.504 0.259 -4.162] 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... |
MoveSelectedAtomsAction | 136f5431-7972-4645-9d11-21921dba94f5 | mp-557634 | Move atoms at indices [24, 32, 5, 30, 11, 1, 9, 21, 29, 13, 31, 27, 33, 28, 4, 20] by [-0.973 -0.655 -1.942] 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_... |
MoveSelectedAtomsAction | ea39a93e-300e-4bed-afdc-44ac8c4d95a4 | mp-768442 | Move atoms at indices [22, 4, 32, 0, 34, 19, 5, 1, 16, 14] by [ 2.739 0.265 -0.545] 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... |
MoveSelectedAtomsAction | c443e3bc-9617-4cb3-aa65-dd78a742373c | mp-1245478 | Move atoms at indices [11, 23, 4, 19, 14, 17, 21, 22, 0, 8, 15, 10, 3, 16, 18, 9, 2, 12] by [ 2.371 -2.685 -4.551] 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_... |
MoveSelectedAtomsAction | 9a904928-0ddc-4ce4-a64e-d8655d2d648e | mp-1223259 | Move atoms at indices [4, 8, 9, 6, 7, 2, 5, 0] by [-0.718 0.399 -0.144] 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... |
MoveSelectedAtomsAction | 5d79dbbd-6182-4cc8-a4d8-3bebcced675b | mp-29853 | Move atoms at indices [25, 17, 20, 30] by [-1.202 -0.392 1.691] 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... |
MoveSelectedAtomsAction | d9b4a474-0ff8-468e-834d-cfc748873e04 | mp-1188256 | Move atoms at indices [13, 5, 10, 6, 4, 11, 2, 1, 17, 15, 14, 19, 3, 7, 0, 12, 16, 8, 18, 9] by [-1.799 0.2 0.501] 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_... |
MoveSelectedAtomsAction | 3859f370-b6a9-4192-b4f9-454d5ab4e6bd | mp-1209004 | Move atoms at indices [19, 10, 15, 18, 0, 21, 12, 2, 3, 7, 6, 14, 13, 17, 1, 16, 20, 4] by [ 1.964 -0.561 -1.001] 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... |
MoveSelectedAtomsAction | c64ffb8d-e0f6-42b0-b224-9cff1a9c309f | mp-569221 | Move atoms at indices [12, 15, 20, 4, 13, 1, 11, 2, 24, 17, 27, 0, 14, 18, 28, 3, 25, 6, 5, 22] by [-0.753 -0.769 -0.737] 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 ... |
MoveSelectedAtomsAction | 979524ee-5a3c-4274-a427-5616917a19ac | mp-1193989 | Move atoms at indices [4, 14, 25, 16, 21, 0, 24, 6] by [0.697 3.95 2.184] 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... |
MoveSelectedAtomsAction | 5f8b8e39-275f-444e-a5bc-adb32d259e7c | mp-1191504 | Move atoms at indices [17, 4, 8, 1, 7, 10, 3, 6, 23] by [ 1.096 -0.144 0.596] 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 "... |
MoveSelectedAtomsAction | 87173c1d-0378-4d7d-b491-b727d42b165c | mp-2647063 | Move atoms at indices [1, 15] by [ 0.844 -1.448 -0.062] 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... |
MoveSelectedAtomsAction | 58a01f70-4793-47bc-96f4-619da1627605 | mp-697575 | Move atoms at indices [22, 4, 27, 8] by [-0.174 1.73 2.338] 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... |
MoveSelectedAtomsAction | 6c20d76a-94fd-4bc7-94fd-b1016fac0296 | mp-1221254 | Move atoms at indices [19, 28, 1, 9, 39, 33, 3, 31, 37, 20, 36, 16, 12, 10, 26, 4, 5, 25, 6, 35, 21, 24, 8, 29, 38, 27, 15, 17, 7, 34, 14, 23, 0] by [ 3.23 -0.599 2.719] 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... |
MoveSelectedAtomsAction | 2371d58d-4cc0-4c1b-8b1f-4ce8fa675f9c | mp-1518063 | Move atoms at indices [4, 9, 1, 3, 6, 0, 7] by [-3.907 0.392 -3.231] 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... |
MoveSelectedAtomsAction | f3e10725-fd99-4205-b119-fbe7d8ea1564 | mp-18672 | Move atoms at indices [2, 17, 13, 7, 6, 18, 3, 1, 12, 5, 15, 10, 11, 21] by [-1.445 -3.815 -3.536] 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... |
MoveSelectedAtomsAction | 77258613-386a-41f6-9888-df263d0864ee | mp-1099676 | Move atoms at indices [32, 4, 34, 36, 16, 21, 37, 20, 30, 2, 5, 29, 13] by [ 1.903 -0.215 -4.13 ] 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... |
MoveSelectedAtomsAction | b9b84123-e541-4e87-a24d-a4df06d0d15d | mp-674849 | Move atoms at indices [2, 1, 6, 4, 10, 0, 8, 7] by [ 4.917 0.394 -1.993] 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"... |
MoveSelectedAtomsAction | cc5c765a-f43f-4ea6-9b8c-b2a684d13909 | mp-2231186 | Move atoms at indices [13, 3, 9, 17, 10, 4, 7, 11, 12, 6, 0, 15] by [ 1.46 -1.942 -2.738] 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... |
MoveSelectedAtomsAction | f21473ba-fd05-45ea-b4b7-5eeb0273af06 | mp-1188654 | Move atoms at indices [11, 8, 2, 1, 3] by [-1.51 2.091 1.156] 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... |
MoveSelectedAtomsAction | 370ff707-90c4-4b2a-a2aa-d46eb627a7cb | mp-1220278 | Move atoms at indices [8, 2, 16, 0, 18, 23, 11, 9, 14, 3, 10, 19, 6, 12, 22, 13, 4, 15, 17, 1, 21, 7, 20] by [-0.533 0.967 0.58 ] 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... |
MoveSelectedAtomsAction | 3095114c-0745-4254-8fc7-56ec70eb3bb5 | mp-1196561 | Move atoms at indices [76, 55, 7, 90] by [-0.182 -2.333 5.462] 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... |
MoveSelectedAtomsAction | 291ceb0b-fded-4eff-a3a5-e7a6ea639718 | mp-1190979 | Move atoms at indices [3] by [3.819 1.45 0.258] 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... |
MoveSelectedAtomsAction | 46915cbf-b08c-4c95-87b4-5f3ed96db090 | mp-2231797 | Move atoms at indices [17, 16, 18, 12, 6, 1] by [-2.256 -1.047 -2.31 ] 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... |
MoveSelectedAtomsAction | 3aacc647-94a2-4390-a42f-f4249f02fe25 | mp-780492 | Move atoms at indices [6, 39, 24, 12, 8, 18, 27, 36, 25, 30, 38, 5, 0, 15, 16, 28, 17, 3, 1, 32, 22, 20, 29, 34, 9, 13] by [ 0.963 -1.064 -2.951] 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
_... |
MoveSelectedAtomsAction | f656011c-8636-4857-8453-409a78cb27f1 | mp-1217308 | Move atoms at indices [7, 18, 22, 27, 29, 0, 26, 2, 33, 12, 20, 13, 5, 14, 9, 1, 17, 11, 35, 4, 30, 19, 25, 34, 6, 10, 21, 32, 31, 28, 15] by [ 2.646 -2.143 -0.515] 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... |
MoveSelectedAtomsAction | 4f749a6c-a331-4c14-8250-712e847e6eaa | mp-690554 | Move atoms at indices [6, 11, 12, 10, 2, 1, 13, 31, 4, 23, 0, 20, 8, 24, 33, 19, 14, 5, 17, 28, 22, 15, 16, 27] by [-0.494 -0.897 -0.434] 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... |
MoveSelectedAtomsAction | 6029651a-833d-425b-97f5-2b14307a7e21 | mp-753310 | Move atoms at indices [2, 0, 10] by [0.336 3.014 1.344] 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... |
MoveSelectedAtomsAction | 7240fe48-84c3-4d01-9df9-e5d3777b5122 | mp-777904 | Move atoms at indices [18, 4, 19, 25, 16, 26, 21, 11, 27, 14, 2, 12, 1, 20, 13, 0] by [-0.352 -1.813 -1.515] 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_... |
MoveSelectedAtomsAction | e96aae9c-0e37-4912-98e8-1967439846d3 | mp-1196758 | Move atoms at indices [8, 25, 11, 21, 7, 19, 12, 43, 36, 42, 14, 13, 4, 40, 3, 31, 24, 29, 10, 22, 1, 27, 33, 0, 17, 6, 9, 23, 39] by [-2.024 1.555 0.734] 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... |
MoveSelectedAtomsAction | 87268862-ffb5-406a-9ab0-ea7144cccaa6 | mp-1045681 | Move atoms at indices [42, 25, 44, 80, 15, 78, 89, 48, 19] by [-2.086 -1.807 1.508] 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... |
MoveSelectedAtomsAction | 602423fd-6e13-4780-a2f0-c0db57bd845c | mp-1176929 | Move atoms at indices [58, 85, 67, 90, 44, 1, 87, 36, 82, 33, 48, 23, 61, 57, 40, 75] by [ 1.292 -2.6 -0.92 ] 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... |
MoveSelectedAtomsAction | 241e565f-6c99-4fc6-843e-920fe786a374 | mp-31180 | Move atoms at indices [6, 11, 3, 4, 5] by [ 2.944 -0.111 -0.412] 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... |
MoveSelectedAtomsAction | d6332d51-3d31-454d-a1a2-59230b6ad07b | mp-510056 | Move atoms at indices [7, 12] by [ 2.541 5.824 -6.347] 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... |
MoveSelectedAtomsAction | 07d5d985-428f-40f4-93e4-9f95d078b767 | mp-774255 | Move atoms at indices [14, 1, 3, 11, 20, 15, 8, 6] by [-0.118 0.966 1.157] 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... |
MoveSelectedAtomsAction | fe8a95f3-84bc-42de-8e7a-cd4f96123a8b | mp-11609 | Move atoms at indices [5] by [ 1.891 -0.71 -0.087] 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... |
MoveSelectedAtomsAction | 1f03ced5-a64f-4750-9aaf-6954fbf3ab92 | mp-680722 | Move atoms at indices [19, 17, 47, 64, 13, 39, 14, 55, 53, 29, 46, 68, 70, 66, 28, 22, 4, 10, 65, 42, 52, 33, 59, 40, 24, 67, 27, 69, 51, 34, 12, 2, 61, 6, 30, 5, 56, 54, 58, 31, 11, 26, 8, 7, 71, 20, 35, 43, 45, 32, 73, 21, 37, 0, 1, 72, 25, 38, 50, 3, 9, 63, 49, 41, 16, 57, 36, 23, 18, 48, 60, 62] by [-1.705 -5.121 ... | 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
... |
MoveSelectedAtomsAction | b2253cd4-2bd1-4481-b029-2df0e389582b | mp-10834 | Move atoms at indices [8, 6, 14, 11] by [-3.341 0.815 2.398] 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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