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 | 13547133-4b4c-4d90-8bd6-1754edc86be9 | mp-1038196 | Move atoms at indices [1, 26, 14, 9, 46, 5, 53, 51, 55, 39, 38, 31, 27, 33, 43, 57, 52, 34, 58, 21, 61, 16, 6, 62, 35, 63, 18, 60, 3, 30, 56, 49, 32, 10, 25, 2, 59, 7, 12, 4, 44, 47, 37, 54, 48, 41, 13, 11, 22] by [-2.002 0.298 -2.014] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg30NbAlO32
_chemical_formula_sum "Mg30 Nb1 Al1 O32"
_cell_length_a 8.580637
_cell_length_b 8.580637
_cell_length_c 8.583799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mg30NbAlO32
_chemical_formula_sum "Mg30 Nb1 Al1 O32"
_cell_length_a 8.580637
_cell_length_b 8.580637
_cell_length_c 8.583799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | acdd6336-6a9f-472d-8e43-35dff3f760de | mp-1188929 | Move atoms at indices [2, 19, 1, 17, 18, 9, 4, 0, 12, 13, 11, 7, 14, 3, 16, 10, 5, 6, 15] by [ 1.198 -0.675 -1.94 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2Nb6S12
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_... | data_image0
_chemical_formula_structural Ti2Nb6S12
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_... |
MoveSelectedAtomsAction | 61cac75c-710d-42ef-ba2e-8182dcfe2c59 | mp-979979 | Move atoms at indices [18, 8, 11, 5, 16, 19, 12, 14, 0, 13, 17, 6] by [1.873 1.877 1.712] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm6Sb8Au6
_chemical_formula_sum "Sm6 Sb8 Au6"
_cell_length_a 8.66406727
_cell_length_b 8.66406727
_cell_length_c 8.66406727
_cell_angle_alpha 109.47119828
_cell_angle_beta 109.47119828
_cell_angle_gamma 109.47119828
_space_group_na... | data_image0
_chemical_formula_structural Sm6Sb8Au6
_chemical_formula_sum "Sm6 Sb8 Au6"
_cell_length_a 8.66406727
_cell_length_b 8.66406727
_cell_length_c 8.66406727
_cell_angle_alpha 109.47119828
_cell_angle_beta 109.47119828
_cell_angle_gamma 109.47119828
_space_group_na... |
MoveSelectedAtomsAction | 7133a813-c9c0-4fde-909a-0fa133c7bb7e | mp-757411 | Move atoms at indices [5, 29] by [-1.033 -0.053 -0.336] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co4P8O28
_chemical_formula_sum "Li8 Co4 P8 O28"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_group_... | data_image0
_chemical_formula_structural Li8Co4P8O28
_chemical_formula_sum "Li8 Co4 P8 O28"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_group_... |
MoveSelectedAtomsAction | 0840b44b-05a9-4b27-88e8-7437e990c2d6 | mp-2227274 | Move atoms at indices [5, 6, 10, 2, 3] by [-0.535 -0.753 -2.001] angstrom in the cif file. | data_image0
_chemical_formula_structural MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... | data_image0
_chemical_formula_structural MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... |
MoveSelectedAtomsAction | a78bf58b-82e5-4e5e-abf1-70ab4919940c | mp-558525 | Move atoms at indices [27, 30, 45, 75, 64, 38, 63, 55, 71, 23, 2, 18, 31, 57, 37, 10, 39, 49, 58, 74, 26, 22, 51, 48, 14, 47, 61, 12, 21, 24, 60, 65, 11, 72, 44, 35, 19, 40, 33, 6, 7, 68, 25] by [-0.586 -1.206 0.484] angstrom in the cif file. | data_image0
_chemical_formula_structural V16Fe8O52
_chemical_formula_sum "V16 Fe8 O52"
_cell_length_a 9.41919459
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural V16Fe8O52
_chemical_formula_sum "V16 Fe8 O52"
_cell_length_a 9.41919459
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 8ddb1e43-03ad-4f97-8ce4-d7c65c688018 | mp-2503 | Move atoms at indices [14, 9, 11, 19, 12, 5, 15, 13, 21, 20, 18, 0, 16, 2, 7, 1, 4, 6, 3] by [-0.333 -0.733 -0.312] angstrom in the cif file. | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... |
MoveSelectedAtomsAction | e99505ad-881c-48b3-a277-758c61977d47 | mp-1213264 | Move atoms at indices [6] by [-1.413 0.662 -0.855] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Nd2Te8
_chemical_formula_sum "Cs2 Nd2 Te8"
_cell_length_a 8.09809799
_cell_length_b 8.09809799
_cell_length_c 12.352567
_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 Cs2Nd2Te8
_chemical_formula_sum "Cs2 Nd2 Te8"
_cell_length_a 8.09809799
_cell_length_b 8.09809799
_cell_length_c 12.352567
_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 | 9aa43bd7-d466-4ecc-a363-5a3252c9373b | mp-771174 | Move atoms at indices [27, 12, 20, 7, 2, 16, 9, 8, 4, 1, 5, 34, 26, 23, 32, 11, 31, 33, 28] by [-2.421 -1.617 -2.075] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8B8O20
_chemical_formula_sum "Ba8 B8 O20"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba8B8O20
_chemical_formula_sum "Ba8 B8 O20"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 5c93688e-19d6-4a35-8f81-dec4fdcbd933 | mp-1175691 | Move atoms at indices [4, 27, 24, 28, 2, 25, 14, 19, 21, 10, 12, 20, 17, 8, 3, 6, 23, 5, 11, 22, 18, 29, 1, 13, 7, 26, 9, 30, 16, 0, 31] by [ 1.059 1.509 -0.498] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... |
MoveSelectedAtomsAction | 7fc936ff-b4c8-408a-b987-b0fe32823988 | mp-1029037 | Move atoms at indices [1, 10, 6, 4, 8] by [-0.682 3.038 1.056] angstrom in the cif file. | data_image0
_chemical_formula_structural MoW3Se2S6
_chemical_formula_sum "Mo1 W3 Se2 S6"
_cell_length_a 3.21988457
_cell_length_b 3.21988457
_cell_length_c 36.406804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001172
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural MoW3Se2S6
_chemical_formula_sum "Mo1 W3 Se2 S6"
_cell_length_a 3.21988457
_cell_length_b 3.21988457
_cell_length_c 36.406804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001172
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 58368dfc-08a0-422b-abcc-1d532b9a3ba6 | mp-2215121 | Move atoms at indices [5, 12, 6, 10, 0, 4, 7, 9, 1, 8, 3] by [-0.968 -0.09 2.509] angstrom in the cif file. | data_image0
_chemical_formula_structural Co4NiO8
_chemical_formula_sum "Co4 Ni1 O8"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83364116000... | data_image0
_chemical_formula_structural Co4NiO8
_chemical_formula_sum "Co4 Ni1 O8"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83364116000... |
MoveSelectedAtomsAction | 9da4b211-78a7-4260-b985-a40a4038dd8f | mp-704542 | Move atoms at indices [51, 58, 81, 75, 40, 5, 89, 29, 52, 70, 41, 10, 28, 92, 20, 53, 54, 21] by [ 2.365 -0.022 3.033] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge4W8C40Br8O40
_chemical_formula_sum "Ge4 W8 C40 Br8 O40"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge4W8C40Br8O40
_chemical_formula_sum "Ge4 W8 C40 Br8 O40"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | affccb5b-cb5f-418f-9944-9d50c04427f4 | mp-1208448 | Move atoms at indices [15, 8, 7, 6, 13, 16, 14, 11] by [ 0.584 -2.976 -0.532] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4Ga12Ag
_chemical_formula_sum "Tb4 Ga12 Ag1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_space_g... | data_image0
_chemical_formula_structural Tb4Ga12Ag
_chemical_formula_sum "Tb4 Ga12 Ag1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_space_g... |
MoveSelectedAtomsAction | a8de8b6e-9d3f-4f5c-8b60-46897c24b796 | mp-1567262 | Move atoms at indices [21, 4, 20, 15, 9, 12, 0, 10, 1, 7, 17, 14, 18, 2, 8, 11, 5, 19, 16, 3] by [ 0.871 0.376 -2.536] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... |
MoveSelectedAtomsAction | 9dc85904-e51e-48dc-8cc6-71d682a8fda2 | mp-1176984 | Move atoms at indices [65, 75, 67, 74, 30, 22, 58, 29, 72, 59, 32, 26, 16, 34, 3, 15, 19, 70, 79, 48, 60, 44, 63, 78, 23, 68, 38, 9, 4, 46, 27, 52, 35, 77, 43, 2, 49, 10, 21, 51, 41, 37, 76, 64, 55, 25, 57, 62, 61, 7, 39, 50, 53, 6, 18, 69, 56, 40, 8, 36, 0] by [-1.45 0.711 -1.169] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2181397... | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2181397... |
MoveSelectedAtomsAction | 1d17ec2d-3409-4f97-aff2-50a0885be9ba | mp-1209476 | Move atoms at indices [61, 2, 39, 14, 10, 28, 69, 11, 48, 63, 37, 13, 64, 59, 46, 40, 31, 21, 20, 65, 25, 9, 52, 72, 60, 45, 62, 58, 68, 49, 35, 47, 12, 17, 22, 23, 24, 34, 38, 27, 44, 73, 67, 53, 26, 70, 50, 7, 8, 75, 41, 16, 66, 54, 42, 3, 56] by [-1.043 0.297 1.217] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Fe8S12O48
_chemical_formula_sum "Rb8 Fe8 S12 O48"
_cell_length_a 10.261897
_cell_length_b 10.261897
_cell_length_c 10.261897
_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 Rb8Fe8S12O48
_chemical_formula_sum "Rb8 Fe8 S12 O48"
_cell_length_a 10.261897
_cell_length_b 10.261897
_cell_length_c 10.261897
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 0616fa91-7949-414f-8249-cfe4e4b2fedb | mp-1196193 | Move atoms at indices [13, 41, 37, 45, 18, 33, 36, 39, 19, 32, 46, 6, 9, 8, 5, 42, 17, 34, 16, 30, 23, 7, 1, 3, 25, 20, 4, 31, 11, 22, 44] by [ 1.068 -2.123 -0.082] angstrom in the cif file. | data_image0
_chemical_formula_structural FeSn4H24C8Se10N2
_chemical_formula_sum "Fe1 Sn4 H24 C8 Se10 N2"
_cell_length_a 11.01614547
_cell_length_b 11.01614547
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_beta 123.33029273
_cell_angle_gamma 84.32248... | data_image0
_chemical_formula_structural FeSn4H24C8Se10N2
_chemical_formula_sum "Fe1 Sn4 H24 C8 Se10 N2"
_cell_length_a 11.01614547
_cell_length_b 11.01614547
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_beta 123.33029273
_cell_angle_gamma 84.32248... |
MoveSelectedAtomsAction | 47611e9f-2858-48b2-832f-a592dc9ff368 | mp-1036452 | Move atoms at indices [20, 23, 3, 24] by [ 1.81 -1.334 0.426] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14AlBiO16
_chemical_formula_sum "Mg14 Al1 Bi1 O16"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 4.378847
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mg14AlBiO16
_chemical_formula_sum "Mg14 Al1 Bi1 O16"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 4.378847
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | 3630167d-d60d-467a-99e0-1163e4d9e48d | mp-541221 | Move atoms at indices [17, 23, 50, 37, 51, 59, 19, 29, 43, 55, 18, 26, 57, 30, 54, 3, 22, 2, 34, 1, 36, 8, 10, 33, 47, 45, 44, 16, 20, 12, 52, 25, 31, 32, 6, 7, 48, 5, 56, 40, 41, 14, 46, 11, 39, 13, 21, 58, 27] by [-0.895 0.152 -0.073] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... |
MoveSelectedAtomsAction | 9a6fc1af-9a73-499d-a61e-cb1a25371146 | mp-1223651 | Move atoms at indices [29, 6, 9, 21, 33, 44, 32, 20, 24, 11, 43, 35] by [ 0.594 1.877 -0.763] angstrom in the cif file. | data_image0
_chemical_formula_structural La20Os12C13
_chemical_formula_sum "La20 Os12 C13"
_cell_length_a 15.968332
_cell_length_b 6.805853
_cell_length_c 9.18086384
_cell_angle_alpha 89.93005953000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural La20Os12C13
_chemical_formula_sum "La20 Os12 C13"
_cell_length_a 15.968332
_cell_length_b 6.805853
_cell_length_c 9.18086384
_cell_angle_alpha 89.93005953000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | e80c7e87-2c00-451d-8f63-345bf956c9d6 | mp-1175183 | Move atoms at indices [4, 23, 46, 25, 8, 21, 36, 43, 13, 9, 34, 26, 2, 5, 10, 27, 24, 14, 35, 40, 22, 30, 12, 32, 45, 7, 37, 31, 39, 47, 15, 11, 42, 0, 29, 19, 33, 41, 6] by [-1.365 1.196 -1.408] angstrom in the cif file. | data_image0
_chemical_formula_structural Li14Mn8Co2O24
_chemical_formula_sum "Li14 Mn8 Co2 O24"
_cell_length_a 5.93090731
_cell_length_b 10.368841130000002
_cell_length_c 8.0209691
_cell_angle_alpha 110.1693237
_cell_angle_beta 75.24929671
_cell_angle_gamma 82.801730890000... | data_image0
_chemical_formula_structural Li14Mn8Co2O24
_chemical_formula_sum "Li14 Mn8 Co2 O24"
_cell_length_a 5.93090731
_cell_length_b 10.368841130000002
_cell_length_c 8.0209691
_cell_angle_alpha 110.1693237
_cell_angle_beta 75.24929671
_cell_angle_gamma 82.801730890000... |
MoveSelectedAtomsAction | 25ae4fa0-f556-45ca-af18-0d3ed839fede | mp-678 | Move atoms at indices [30, 8, 1, 50, 70, 35, 63, 13, 55, 3, 33, 56, 65, 25, 51, 36, 61, 62, 0, 5, 46, 28, 39, 23, 27, 67] by [ 1.42 3.431 -1.189] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... |
MoveSelectedAtomsAction | c05f4980-95c7-466b-a744-a67f3f90fdb8 | mp-1374432 | Move atoms at indices [5, 28, 20, 18, 16, 19, 11, 12] by [-2.084 1.477 2.192] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Ni4As4O20
_chemical_formula_sum "Mg4 Ni4 As4 O20"
_cell_length_a 5.80487
_cell_length_b 7.48795
_cell_length_c 8.385389
_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 Mg4Ni4As4O20
_chemical_formula_sum "Mg4 Ni4 As4 O20"
_cell_length_a 5.80487
_cell_length_b 7.48795
_cell_length_c 8.385389
_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 | 9071c271-f97e-4e62-b065-de504762d5ab | mp-1175476 | Move atoms at indices [18, 22, 3, 24, 28, 5, 25, 9, 10, 14, 13, 1, 27, 29, 0, 15, 12, 6, 11, 7, 23, 30, 31, 2, 21, 19, 17, 26, 20, 4, 8, 16] by [ 0.557 -2.587 -1.614] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 2.98362
_cell_length_b 9.74424399
_cell_length_c 10.11371034
_cell_angle_alpha 77.44947545
_cell_angle_beta 89.18801387
_cell_angle_gamma 88.67283281
_space_group_name_H-... | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 2.98362
_cell_length_b 9.74424399
_cell_length_c 10.11371034
_cell_angle_alpha 77.44947545
_cell_angle_beta 89.18801387
_cell_angle_gamma 88.67283281
_space_group_name_H-... |
MoveSelectedAtomsAction | b661402b-88fc-45db-8091-d124f409a8cc | mp-1043960 | Move atoms at indices [4, 39, 27, 30, 43, 10, 9, 8, 36, 38, 41, 3, 17, 31, 34, 40, 0, 37, 19, 25, 20, 42, 14, 24, 35, 23, 22] by [-0.477 2.462 0.595] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Ti4P8O28
_chemical_formula_sum "Mg4 Ti4 P8 O28"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg4Ti4P8O28
_chemical_formula_sum "Mg4 Ti4 P8 O28"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 7df3cda0-8fc1-4384-9f66-c227e5f86f35 | mp-2223123 | Move atoms at indices [5, 8, 3, 2] by [-1.937 1.736 0.634] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_spa... | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_spa... |
MoveSelectedAtomsAction | e58c1b34-8db2-42d1-bc46-6cb10f2788bd | mp-1246526 | Move atoms at indices [3, 0, 5, 12, 14, 10, 1, 11, 6, 8, 2, 9, 4] by [-0.865 -0.897 -0.471] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6Ru4N8
_chemical_formula_sum "Sr6 Ru4 N8"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space_group_... | data_image0
_chemical_formula_structural Sr6Ru4N8
_chemical_formula_sum "Sr6 Ru4 N8"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space_group_... |
MoveSelectedAtomsAction | 4176f9de-4cbd-4b8c-b03d-6c380f68c5fb | mp-684709 | Move atoms at indices [24, 11, 20, 15, 21, 26, 19, 13, 3, 7, 28, 1, 2, 6, 37, 22, 29, 5, 12, 8, 4, 33, 31, 27, 0, 38, 32, 25, 34, 30, 10, 35, 17, 39] by [-2.843 -0.629 -0.817] angstrom in the cif file. | data_image0
_chemical_formula_structural K6B34
_chemical_formula_sum "K6 B34"
_cell_length_a 13.30794988
_cell_length_b 13.30794988
_cell_length_c 13.307949880000002
_cell_angle_alpha 153.92748815
_cell_angle_beta 153.92748815
_cell_angle_gamma 37.20500753999999
_space_gr... | data_image0
_chemical_formula_structural K6B34
_chemical_formula_sum "K6 B34"
_cell_length_a 13.30794988
_cell_length_b 13.30794988
_cell_length_c 13.307949880000002
_cell_angle_alpha 153.92748815
_cell_angle_beta 153.92748815
_cell_angle_gamma 37.20500753999999
_space_gr... |
MoveSelectedAtomsAction | ecf8328d-703d-4ef7-b728-756cc1ad5f11 | mp-1026735 | Move atoms at indices [14, 12, 8, 9, 3, 2, 6, 4, 15, 7] by [ 1.581 -0.63 1.855] angstrom in the cif file. | data_image0
_chemical_formula_structural CeMg14Sb
_chemical_formula_sum "Ce1 Mg14 Sb1"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 10.55270559
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural CeMg14Sb
_chemical_formula_sum "Ce1 Mg14 Sb1"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 10.55270559
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | e6ac2582-15a5-4b60-953f-821c0e1f68c5 | mp-18112 | Move atoms at indices [4] by [-2.079 0.875 2.592] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr8Ge8Se20
_chemical_formula_sum "Sr8 Ge8 Se20"
_cell_length_a 12.39348995
_cell_length_b 8.52535437
_cell_length_c 12.20324559
_cell_angle_alpha 49.38111077999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sr8Ge8Se20
_chemical_formula_sum "Sr8 Ge8 Se20"
_cell_length_a 12.39348995
_cell_length_b 8.52535437
_cell_length_c 12.20324559
_cell_angle_alpha 49.38111077999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | c6e5d410-6add-4296-9269-36d9d0a005ee | mp-1110899 | Move atoms at indices [9] by [0.407 1.942 4.062] angstrom in the cif file. | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
MoveSelectedAtomsAction | c9b78960-047f-4716-8556-bce20e84740f | mp-559286 | Move atoms at indices [31, 18, 22, 15, 39, 38, 26, 7, 4, 41, 40, 0, 16, 9, 30, 42, 34, 36, 11, 20, 17, 44, 33, 27, 45, 14, 28, 37, 3, 12, 32, 35, 25, 8, 2, 21, 19, 24, 13, 43, 23, 6, 29, 5] by [-3.075 3.107 0.339] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Al6Ge6Cl2O24
_chemical_formula_sum "Na8 Al6 Ge6 Cl2 O24"
_cell_length_a 9.141085
_cell_length_b 9.141085
_cell_length_c 9.141085
_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 Na8Al6Ge6Cl2O24
_chemical_formula_sum "Na8 Al6 Ge6 Cl2 O24"
_cell_length_a 9.141085
_cell_length_b 9.141085
_cell_length_c 9.141085
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 64243f93-00a7-4806-ac9e-8139d25a67b6 | mp-13456 | Move atoms at indices [7, 9, 8, 5, 3, 0] by [-0.777 -1.369 -2.322] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn5S5
_chemical_formula_sum "Zn5 S5"
_cell_length_a 15.72505019
_cell_length_b 15.725050190000001
_cell_length_c 15.72504922
_cell_angle_alpha 13.908401220000002
_cell_angle_beta 13.908401220000002
_cell_angle_gamma 13.9084016399999... | data_image0
_chemical_formula_structural Zn5S5
_chemical_formula_sum "Zn5 S5"
_cell_length_a 15.72505019
_cell_length_b 15.725050190000001
_cell_length_c 15.72504922
_cell_angle_alpha 13.908401220000002
_cell_angle_beta 13.908401220000002
_cell_angle_gamma 13.9084016399999... |
MoveSelectedAtomsAction | d0d9fbab-e4f5-4678-a5da-0b78ccc51612 | mp-778743 | Move atoms at indices [8, 25, 21, 13, 29, 17, 28, 9, 22, 16, 0, 20, 31, 24, 27, 26, 3, 10, 18, 14, 12, 5, 19, 11, 1, 30, 6, 15] by [ 1.291 0.083 -0.513] angstrom in the cif file. | data_image0
_chemical_formula_structural Li10Cu2P4O16
_chemical_formula_sum "Li10 Cu2 P4 O16"
_cell_length_a 6.154576
_cell_length_b 5.383631
_cell_length_c 9.98142734
_cell_angle_alpha 89.89632549
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li10Cu2P4O16
_chemical_formula_sum "Li10 Cu2 P4 O16"
_cell_length_a 6.154576
_cell_length_b 5.383631
_cell_length_c 9.98142734
_cell_angle_alpha 89.89632549
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 41036b58-15dc-451e-83b5-3c351af78167 | mp-11321 | Move atoms at indices [10, 3, 13, 21, 0, 18, 20, 5, 16, 8, 9, 17, 19, 15, 2] by [-1.6 2.87 -0.518] angstrom in the cif file. | data_image0
_chemical_formula_structural Y6Ta2O14
_chemical_formula_sum "Y6 Ta2 O14"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Y6Ta2O14
_chemical_formula_sum "Y6 Ta2 O14"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | ea2993f1-62d9-46d5-9d25-95284a81c478 | mp-36383 | Move atoms at indices [5, 7, 6, 8, 3, 4, 9, 0, 11, 10, 12, 2, 1] by [-2.346 -2.358 0.819] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag3P2O8
_chemical_formula_sum "Ag3 P2 O8"
_cell_length_a 5.77171001
_cell_length_b 5.77170928
_cell_length_c 5.77171041
_cell_angle_alpha 83.23631156000002
_cell_angle_beta 83.23630576999999
_cell_angle_gamma 83.23629968
_space_gro... | data_image0
_chemical_formula_structural Ag3P2O8
_chemical_formula_sum "Ag3 P2 O8"
_cell_length_a 5.77171001
_cell_length_b 5.77170928
_cell_length_c 5.77171041
_cell_angle_alpha 83.23631156000002
_cell_angle_beta 83.23630576999999
_cell_angle_gamma 83.23629968
_space_gro... |
MoveSelectedAtomsAction | 9b6d04f4-f987-406f-a0c0-3ce962cc2cc0 | mp-1218449 | Move atoms at indices [4, 7, 2, 0, 19, 12, 11, 20, 16, 8, 6, 3, 5, 1, 10, 18, 21, 9, 15, 14] by [ 1.944 1.459 -1.736] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... |
MoveSelectedAtomsAction | 237e1559-7e20-48b4-83a1-8128ee461c45 | mp-1246897 | Move atoms at indices [9, 7, 13, 3, 11] by [-0.379 1.241 0.516] angstrom in the cif file. | data_image0
_chemical_formula_structural LuMg2Mn3S8
_chemical_formula_sum "Lu1 Mg2 Mn3 S8"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_space_g... | data_image0
_chemical_formula_structural LuMg2Mn3S8
_chemical_formula_sum "Lu1 Mg2 Mn3 S8"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_space_g... |
MoveSelectedAtomsAction | d080d7c1-26cd-48cd-b536-f3ea32c7477b | mp-1522056 | Move atoms at indices [0] by [-0.877 0.406 1.139] angstrom in the cif file. | data_image0
_chemical_formula_structural CaEuTiSnO6
_chemical_formula_sum "Ca1 Eu1 Ti1 Sn1 O6"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001... | data_image0
_chemical_formula_structural CaEuTiSnO6
_chemical_formula_sum "Ca1 Eu1 Ti1 Sn1 O6"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001... |
MoveSelectedAtomsAction | ef03eecb-f2b2-4d4a-9e9a-d77c1becd732 | mp-777349 | Move atoms at indices [14, 11, 0, 13, 2] by [0.614 0.075 1.43 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... |
MoveSelectedAtomsAction | f167231d-4ffa-46d9-845b-c1e219d2280e | mp-694554 | Move atoms at indices [31, 15, 13, 37, 5, 12] by [ 0.483 -0.455 -1.913] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 8b8fbc87-a283-461e-95e3-b630d6caf75b | mp-697807 | Move atoms at indices [30, 10, 13, 27, 40, 60, 54, 1, 57, 23, 42, 6] by [-2.655 -0.675 -0.069] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mn8P14O48
_chemical_formula_sum "Li2 Mn8 P14 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 105.6353... | data_image0
_chemical_formula_structural Li2Mn8P14O48
_chemical_formula_sum "Li2 Mn8 P14 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 105.6353... |
MoveSelectedAtomsAction | 99031680-0b60-484b-a9e8-b57dfabaaabe | mp-676665 | Move atoms at indices [2, 34, 28, 10, 35, 19, 4, 24, 36, 17, 23, 18, 31, 14, 15, 1, 37, 9, 20, 11, 21, 7] by [-0.095 -0.103 0.023] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... |
MoveSelectedAtomsAction | 2b7848f6-505b-4732-a425-7dfb64d29ecd | mp-2240405 | Move atoms at indices [10, 4, 2, 8, 5] by [ 0.316 -1.695 0.525] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn2Ag2O6
_chemical_formula_sum "Mg1 Mn2 Ag2 O6"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_space... | data_image0
_chemical_formula_structural MgMn2Ag2O6
_chemical_formula_sum "Mg1 Mn2 Ag2 O6"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_space... |
MoveSelectedAtomsAction | f363462f-1ae0-4642-86aa-24ec6ee735fa | mp-573073 | Move atoms at indices [51] by [-2.001 -3.009 0.242] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
MoveSelectedAtomsAction | 4ac3d6ed-f34b-4f6b-946f-451d16207e3d | mp-1217186 | Move atoms at indices [1, 18, 17, 16] by [-1.38 0.176 -1.882] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | a8de1009-0dbe-4448-ac1a-8232c2a3a2f2 | mp-1033422 | Move atoms at indices [4, 9, 3, 13, 11, 6, 14, 5] by [-2.009 0.454 1.43 ] angstrom in the cif file. | data_image0
_chemical_formula_structural BaMg6CO8
_chemical_formula_sum "Ba1 Mg6 C1 O8"
_cell_length_a 8.66532636
_cell_length_b 4.6564749
_cell_length_c 4.6564749
_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 BaMg6CO8
_chemical_formula_sum "Ba1 Mg6 C1 O8"
_cell_length_a 8.66532636
_cell_length_b 4.6564749
_cell_length_c 4.6564749
_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 | 5389ecf4-bd5b-475a-a968-6fdf5a862785 | mp-760055 | Move atoms at indices [2, 28, 29, 40, 20, 8, 7, 12, 25, 38, 16, 26, 39, 34, 19, 35, 42, 50, 5, 22, 0, 17, 44, 37, 45, 41, 11, 27, 15, 23, 9, 18, 24, 3, 32, 33, 36, 48, 30, 10, 47, 6, 31, 43, 1, 49, 13] by [ 0.345 -4.114 -1.506] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Mn3V3P6H6O30
_chemical_formula_sum "Li3 Mn3 V3 P6 H6 O30"
_cell_length_a 7.44397993
_cell_length_b 11.32063412
_cell_length_c 6.794345970000001
_cell_angle_alpha 73.04739999000002
_cell_angle_beta 88.85579793
_cell_angle_gamma 81... | data_image0
_chemical_formula_structural Li3Mn3V3P6H6O30
_chemical_formula_sum "Li3 Mn3 V3 P6 H6 O30"
_cell_length_a 7.44397993
_cell_length_b 11.32063412
_cell_length_c 6.794345970000001
_cell_angle_alpha 73.04739999000002
_cell_angle_beta 88.85579793
_cell_angle_gamma 81... |
MoveSelectedAtomsAction | b7bbe546-be13-47c6-bdc0-69a374f611fc | mp-1174755 | Move atoms at indices [0, 10, 7, 17, 16, 5, 20, 25, 6, 3, 22, 23, 4, 9, 15, 2, 12, 27, 24, 11, 8, 26, 13, 18, 14, 1, 19] by [0.631 1.74 3.285] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... |
MoveSelectedAtomsAction | c762fd75-98c2-405b-8f7d-937e61213742 | mp-1213037 | Move atoms at indices [9, 4, 10, 5, 2] by [ 0.266 1.833 -0.112] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Li4As4
_chemical_formula_sum "K4 Li4 As4"
_cell_length_a 4.311587
_cell_length_b 12.867966
_cell_length_c 14.594449
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural K4Li4As4
_chemical_formula_sum "K4 Li4 As4"
_cell_length_a 4.311587
_cell_length_b 12.867966
_cell_length_c 14.594449
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveSelectedAtomsAction | c377b327-da1d-47b5-8a42-4d70b02b959e | mp-2241517 | Move atoms at indices [3, 11, 15, 4, 7, 1, 13, 0, 10, 6, 12, 2, 14, 9, 8, 5] by [-0.716 0.103 1.358] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTlV4O10
_chemical_formula_sum "Mg1 Tl1 V4 O10"
_cell_length_a 3.80973867
_cell_length_b 6.39254685
_cell_length_c 10.30154824
_cell_angle_alpha 99.21036911
_cell_angle_beta 90.08400635
_cell_angle_gamma 107.31590398
_space_group_... | data_image0
_chemical_formula_structural MgTlV4O10
_chemical_formula_sum "Mg1 Tl1 V4 O10"
_cell_length_a 3.80973867
_cell_length_b 6.39254685
_cell_length_c 10.30154824
_cell_angle_alpha 99.21036911
_cell_angle_beta 90.08400635
_cell_angle_gamma 107.31590398
_space_group_... |
MoveSelectedAtomsAction | 89852fc2-8c2f-4133-b78d-ce1107ca0868 | mp-1200624 | Move atoms at indices [35, 47, 29, 54, 38, 53, 10, 33, 40, 27, 37, 46, 30, 8, 31, 3, 23, 2, 55, 5] by [-2.071 -1.094 1.696] angstrom in the cif file. | data_image0
_chemical_formula_structural K4V6P8O40
_chemical_formula_sum "K4 V6 P8 O40"
_cell_length_a 6.274862
_cell_length_b 11.23261801
_cell_length_c 12.8555442
_cell_angle_alpha 106.62234945
_cell_angle_beta 103.09919050000002
_cell_angle_gamma 95.97454928
_space_gro... | data_image0
_chemical_formula_structural K4V6P8O40
_chemical_formula_sum "K4 V6 P8 O40"
_cell_length_a 6.274862
_cell_length_b 11.23261801
_cell_length_c 12.8555442
_cell_angle_alpha 106.62234945
_cell_angle_beta 103.09919050000002
_cell_angle_gamma 95.97454928
_space_gro... |
MoveSelectedAtomsAction | b1ceea0b-77f6-47f4-afd1-ea082fe67fec | mp-2240560 | Move atoms at indices [3, 8, 7] by [-0.608 0.547 1.364] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... |
MoveSelectedAtomsAction | 06c26bb1-c8aa-4afc-a1bd-526eb266b11d | mp-1213576 | Move atoms at indices [14, 19, 26, 30, 61, 27, 15, 51, 39, 31, 40, 16, 23, 4, 54, 49, 32, 17, 6, 1, 18, 53, 55, 28, 50] by [0.724 1.223 0.974] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... |
MoveSelectedAtomsAction | 78014567-9f85-467e-9136-a563596905eb | mp-862656 | Move atoms at indices [10, 8, 19, 9, 18] by [-0.598 1.776 4.484] angstrom in the cif file. | data_image0
_chemical_formula_structural Er5Al15
_chemical_formula_sum "Er5 Al15"
_cell_length_a 12.36137364
_cell_length_b 12.36137364
_cell_length_c 12.36137266
_cell_angle_alpha 28.216417780000004
_cell_angle_beta 28.216417780000004
_cell_angle_gamma 28.21641792
_space... | data_image0
_chemical_formula_structural Er5Al15
_chemical_formula_sum "Er5 Al15"
_cell_length_a 12.36137364
_cell_length_b 12.36137364
_cell_length_c 12.36137266
_cell_angle_alpha 28.216417780000004
_cell_angle_beta 28.216417780000004
_cell_angle_gamma 28.21641792
_space... |
MoveSelectedAtomsAction | e2a60444-4bf4-4080-b2ec-6870498aa340 | mp-1304002 | Move atoms at indices [21, 18, 19, 24] by [ 0.889 -1.268 1.297] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... |
MoveSelectedAtomsAction | 07469047-7c71-4020-a9a7-350e7263b4dc | mp-1520242 | Move atoms at indices [1] by [-1.644 0.638 -0.37 ] angstrom in the cif file. | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
MoveSelectedAtomsAction | 57560f3e-f86d-4f1f-a6a5-78678edd1487 | mp-1200098 | Move atoms at indices [31, 2, 12, 14, 8, 6, 46, 11, 28, 36, 3, 1, 33, 43, 45, 37, 10, 23, 27, 4, 41, 44] by [-0.878 -2.396 -2.132] angstrom in the cif file. | data_image0
_chemical_formula_structural Ir4W4N20Cl4O16
_chemical_formula_sum "Ir4 W4 N20 Cl4 O16"
_cell_length_a 8.99499
_cell_length_b 9.214026
_cell_length_c 12.273695
_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 Ir4W4N20Cl4O16
_chemical_formula_sum "Ir4 W4 N20 Cl4 O16"
_cell_length_a 8.99499
_cell_length_b 9.214026
_cell_length_c 12.273695
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | c8ba7360-2622-418c-9ec2-aedf8bc4e650 | mp-23083 | Move atoms at indices [10, 2, 5, 8, 1, 6, 11, 0, 4, 9] by [-4.712 0.851 2.947] angstrom in the cif file. | data_image0
_chemical_formula_structural KAs4BrO6
_chemical_formula_sum "K1 As4 Br1 O6"
_cell_length_a 5.34714576
_cell_length_b 5.34714576
_cell_length_c 9.23111
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999706999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural KAs4BrO6
_chemical_formula_sum "K1 As4 Br1 O6"
_cell_length_a 5.34714576
_cell_length_b 5.34714576
_cell_length_c 9.23111
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999706999999
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 95b27d3a-b497-42e5-8686-b7e4f3971401 | mp-753980 | Move atoms at indices [15] by [ 2.415 -0.008 -0.928] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn2TeWO12
_chemical_formula_sum "Li4 Mn2 Te1 W1 O12"
_cell_length_a 5.32417188
_cell_length_b 10.649467770000001
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gamma 57.026... | data_image0
_chemical_formula_structural Li4Mn2TeWO12
_chemical_formula_sum "Li4 Mn2 Te1 W1 O12"
_cell_length_a 5.32417188
_cell_length_b 10.649467770000001
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gamma 57.026... |
MoveSelectedAtomsAction | 726f40be-d2fc-42d9-abf0-b67b87519fbe | mp-759181 | Move atoms at indices [46, 31, 21, 37, 26, 7, 54, 30, 18, 40, 12, 45, 3, 13, 44, 19, 52, 1, 38] by [ 0.083 1.676 -1.131] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn4P12O36
_chemical_formula_sum "Li4 Mn4 P12 O36"
_cell_length_a 5.393716
_cell_length_b 10.304873
_cell_length_c 11.742108
_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 Li4Mn4P12O36
_chemical_formula_sum "Li4 Mn4 P12 O36"
_cell_length_a 5.393716
_cell_length_b 10.304873
_cell_length_c 11.742108
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | d030a008-b47b-46ca-9b84-eacc43195d4e | mp-1173106 | Move atoms at indices [22, 14, 16, 5, 15, 12, 6, 23, 17, 21, 20, 3, 0, 25, 4, 8, 1, 24, 11] by [ 3.635 -1.21 4.709] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb8Cu3Te16
_chemical_formula_sum "Tb8 Cu3 Te16"
_cell_length_a 12.54590591
_cell_length_b 9.86348697
_cell_length_c 8.132721389999999
_cell_angle_alpha 90.14494182
_cell_angle_beta 90.25875977
_cell_angle_gamma 50.522835230000005
_... | data_image0
_chemical_formula_structural Tb8Cu3Te16
_chemical_formula_sum "Tb8 Cu3 Te16"
_cell_length_a 12.54590591
_cell_length_b 9.86348697
_cell_length_c 8.132721389999999
_cell_angle_alpha 90.14494182
_cell_angle_beta 90.25875977
_cell_angle_gamma 50.522835230000005
_... |
MoveSelectedAtomsAction | d3002bef-398e-4a60-97cc-aecb852d48a9 | mp-1931800 | Move atoms at indices [5, 19, 2, 8, 43, 40, 27, 17, 0, 9, 12] by [0.28 0.338 0.785] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn13Si2Sb2O28
_chemical_formula_sum "Mn13 Si2 Sb2 O28"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803492
_s... | data_image0
_chemical_formula_structural Mn13Si2Sb2O28
_chemical_formula_sum "Mn13 Si2 Sb2 O28"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803492
_s... |
MoveSelectedAtomsAction | e3c3bab8-a81c-41ed-9960-1f1da0771a4d | mp-680561 | Move atoms at indices [5, 9, 25, 31, 22, 28, 18, 29, 27, 21, 24, 13, 11, 26, 23, 15, 7, 6, 0] by [-4.228 0.141 1.163] angstrom in the cif file. | data_image0
_chemical_formula_structural U10Re6C16
_chemical_formula_sum "U10 Re6 C16"
_cell_length_a 11.40374963
_cell_length_b 11.40374963
_cell_length_c 3.28600681
_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 U10Re6C16
_chemical_formula_sum "U10 Re6 C16"
_cell_length_a 11.40374963
_cell_length_b 11.40374963
_cell_length_c 3.28600681
_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 | 668fea83-24d1-42f1-8f59-d46f5b7945ef | mp-1233814 | Move atoms at indices [2, 12, 1] by [ 1.372 -1.47 -4.401] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCr8P4O20
_chemical_formula_sum "Mg1 Cr8 P4 O20"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgCr8P4O20
_chemical_formula_sum "Mg1 Cr8 P4 O20"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | e4e2ec89-7cba-41c4-bf83-6cb871ba0e01 | mp-758465 | Move atoms at indices [20, 21, 5, 2, 11, 28, 3, 1, 24, 23, 10, 25] by [-0.665 -0.225 1.863] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe4Si4O16
_chemical_formula_sum "Li8 Fe4 Si4 O16"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li8Fe4Si4O16
_chemical_formula_sum "Li8 Fe4 Si4 O16"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 2dd4267c-13e6-4eaa-9646-27bfb8d0dbdf | mp-25285 | Move atoms at indices [15, 5] by [ 0.608 -4.42 -0.033] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Ni2O12
_chemical_formula_sum "Mn4 Ni2 O12"
_cell_length_a 5.01128075
_cell_length_b 5.01128075
_cell_length_c 10.013213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.047743
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mn4Ni2O12
_chemical_formula_sum "Mn4 Ni2 O12"
_cell_length_a 5.01128075
_cell_length_b 5.01128075
_cell_length_c 10.013213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.047743
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 89718649-0b73-43ca-9dc2-310c935a2cea | mp-1191005 | Move atoms at indices [18, 21, 6, 1, 4, 9, 15, 14, 7, 11, 17, 3, 16, 13, 0, 5] by [ 1.995 4.359 -2.007] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Br6O14
_chemical_formula_sum "La2 Br6 O14"
_cell_length_a 6.957924
_cell_length_b 7.62667087
_cell_length_c 7.97220483
_cell_angle_alpha 83.96742581
_cell_angle_beta 74.98027024000001
_cell_angle_gamma 89.21936135000001
_space_g... | data_image0
_chemical_formula_structural La2Br6O14
_chemical_formula_sum "La2 Br6 O14"
_cell_length_a 6.957924
_cell_length_b 7.62667087
_cell_length_c 7.97220483
_cell_angle_alpha 83.96742581
_cell_angle_beta 74.98027024000001
_cell_angle_gamma 89.21936135000001
_space_g... |
MoveSelectedAtomsAction | 577bef4b-6a50-43e4-ac93-74baaf95bf43 | mp-26228 | Move atoms at indices [13, 5, 4, 28, 36, 15, 31, 24, 1, 20, 14, 38, 37, 26, 35, 22, 3, 0, 21, 23, 30, 12, 18, 39, 29, 19, 33, 17] by [ 3.739 -0.753 -2.149] angstrom in the cif file. | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... |
MoveSelectedAtomsAction | 7daf4d0e-4879-40ce-b079-0cdeff97018c | mp-626835 | Move atoms at indices [20, 7] by [ 0.425 -1.286 1.802] angstrom in the cif file. | data_image0
_chemical_formula_structural H16Pt2O12
_chemical_formula_sum "H16 Pt2 O12"
_cell_length_a 5.611497
_cell_length_b 5.72181583
_cell_length_c 7.35410691
_cell_angle_alpha 87.23899783
_cell_angle_beta 88.42011408
_cell_angle_gamma 81.50605689
_space_group_name_H-... | data_image0
_chemical_formula_structural H16Pt2O12
_chemical_formula_sum "H16 Pt2 O12"
_cell_length_a 5.611497
_cell_length_b 5.72181583
_cell_length_c 7.35410691
_cell_angle_alpha 87.23899783
_cell_angle_beta 88.42011408
_cell_angle_gamma 81.50605689
_space_group_name_H-... |
MoveSelectedAtomsAction | e9d76456-2b3b-4972-a9b7-965e8c19f351 | mp-1034441 | Move atoms at indices [29] by [-0.351 2.766 0.131] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_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 Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | e5387c3a-7159-423b-8051-471e43170631 | mp-1178408 | Move atoms at indices [9, 17, 16, 21, 0, 14, 3, 19, 20, 4, 1, 15, 11] by [-0.351 5.354 -1.977] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | d2a016a4-8f9a-41ea-b26c-837c5e46aca7 | mp-1207705 | Move atoms at indices [12, 17, 10, 14, 19] by [ 2.906 3.209 -1.349] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm4Rh4O12
_chemical_formula_sum "Tm4 Rh4 O12"
_cell_length_a 5.17444652
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_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 Tm4Rh4O12
_chemical_formula_sum "Tm4 Rh4 O12"
_cell_length_a 5.17444652
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_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 | a2eaca38-fe48-4965-af76-a178d9fb3bdd | mp-1215346 | Move atoms at indices [8, 3, 9, 10, 2, 7, 1, 5, 0, 6, 4, 11] by [-1.143 -1.971 -1.682] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 411971b1-74d6-4e71-88df-9af6296b6ab4 | mp-614981 | Move atoms at indices [3] by [-1.437 0.942 1.129] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2NdCu3O6
_chemical_formula_sum "Ba2 Nd1 Cu3 O6"
_cell_length_a 3.925227
_cell_length_b 3.925227
_cell_length_c 12.14195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba2NdCu3O6
_chemical_formula_sum "Ba2 Nd1 Cu3 O6"
_cell_length_a 3.925227
_cell_length_b 3.925227
_cell_length_c 12.14195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveSelectedAtomsAction | 5866cb5b-d4a4-44e7-bf46-994ce4754a90 | mp-1205450 | Move atoms at indices [5, 15, 1, 19, 6, 7, 2, 12] by [ 3.396 1.126 -2.082] angstrom in the cif file. | data_image0
_chemical_formula_structural Pu8Se12
_chemical_formula_sum "Pu8 Se12"
_cell_length_a 11.30759145
_cell_length_b 4.10033936
_cell_length_c 11.20312826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Pu8Se12
_chemical_formula_sum "Pu8 Se12"
_cell_length_a 11.30759145
_cell_length_b 4.10033936
_cell_length_c 11.20312826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveSelectedAtomsAction | 9c81732d-9d47-4439-92be-207cb79c7129 | mp-1106129 | Move atoms at indices [6, 0, 9, 8, 4, 7, 13, 3, 10, 11, 14, 1] by [0.289 2.031 0.902] 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 | 5569dc83-862f-4928-ae45-b9ebd1f29634 | mp-625819 | Move atoms at indices [1, 17, 20, 35, 26, 43, 15, 28, 6, 3, 10, 34, 11, 18, 13, 42, 7, 41, 37, 0, 2, 5, 9] by [-0.837 3.023 -4.066] angstrom in the cif file. | data_image0
_chemical_formula_structural H32N8O4
_chemical_formula_sum "H32 N8 O4"
_cell_length_a 9.055844
_cell_length_b 4.428801
_cell_length_c 10.73228277
_cell_angle_alpha 69.28359116
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural H32N8O4
_chemical_formula_sum "H32 N8 O4"
_cell_length_a 9.055844
_cell_length_b 4.428801
_cell_length_c 10.73228277
_cell_angle_alpha 69.28359116
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveSelectedAtomsAction | ca6b66e4-6160-4a89-9182-f8722da42b28 | mp-30210 | Move atoms at indices [4, 16, 13, 5, 10] by [-2.513 1.104 -1.051] angstrom in the cif file. | data_image0
_chemical_formula_structural La10Sn6Cl2
_chemical_formula_sum "La10 Sn6 Cl2"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
_space_gr... | data_image0
_chemical_formula_structural La10Sn6Cl2
_chemical_formula_sum "La10 Sn6 Cl2"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
_space_gr... |
MoveSelectedAtomsAction | 157e5d62-f576-4be2-99a8-ad6e2e87993c | mp-758053 | Move atoms at indices [10, 4, 8, 1, 0, 6, 5, 7, 2, 3, 9, 11] by [-2.358 1.207 1.554] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb2Cr2O8
_chemical_formula_sum "Nb2 Cr2 O8"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space_group... | data_image0
_chemical_formula_structural Nb2Cr2O8
_chemical_formula_sum "Nb2 Cr2 O8"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space_group... |
MoveSelectedAtomsAction | c4f8946d-846a-4a16-a8ad-bb0e9e65e259 | mp-630329 | Move atoms at indices [34, 25, 37, 17, 24, 15, 23] by [-0.465 -0.471 1.189] angstrom in the cif file. | data_image0
_chemical_formula_structural Pb8Se8O24
_chemical_formula_sum "Pb8 Se8 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb8Se8O24
_chemical_formula_sum "Pb8 Se8 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 1085bb0e-3d2a-4889-85c6-79e0b76edb75 | mp-1110620 | Move atoms at indices [0, 8, 7] by [-1.723 -0.978 -3.172] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... |
MoveSelectedAtomsAction | a900574a-5eb7-40d2-80c9-146c4a4fcd7f | mp-1206399 | Move atoms at indices [8, 6, 0, 3, 4, 1] by [ 0.481 -0.997 -1.683] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... |
MoveSelectedAtomsAction | e5f77efa-8f16-40be-8bb7-599b899015b7 | mp-1212002 | Move atoms at indices [53, 92, 14, 69, 0, 44, 12, 78, 65, 34, 4, 55, 95, 39, 63, 20, 91, 58, 10, 70, 50, 9, 32, 31, 57, 30, 37, 13, 61, 52, 81, 26, 41, 15, 86, 76, 36, 29, 5, 83, 84, 67, 43, 75, 7, 51, 71, 22, 46, 17, 19, 66, 28, 59, 79, 38, 8, 60, 47, 23, 33, 6, 77, 49, 89] by [ 1.046 3.015 -2.134] angstrom in the ci... | data_image0
_chemical_formula_structural K8Er8Se16O64
_chemical_formula_sum "K8 Er8 Se16 O64"
_cell_length_a 5.692184
_cell_length_b 9.063673
_cell_length_c 27.753806
_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 K8Er8Se16O64
_chemical_formula_sum "K8 Er8 Se16 O64"
_cell_length_a 5.692184
_cell_length_b 9.063673
_cell_length_c 27.753806
_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 | 3b399b12-c727-4baf-bd8b-273e13ec91c1 | mp-557384 | Move atoms at indices [12, 5, 24, 33, 31, 20, 34, 25, 27, 21, 40, 6, 1, 32, 39, 4, 17, 15, 23] by [ 0.652 3.498 -2.942] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4U4B8O28
_chemical_formula_sum "Mg4 U4 B8 O28"
_cell_length_a 7.393992
_cell_length_b 8.022988
_cell_length_c 9.876277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Mg4U4B8O28
_chemical_formula_sum "Mg4 U4 B8 O28"
_cell_length_a 7.393992
_cell_length_b 8.022988
_cell_length_c 9.876277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveSelectedAtomsAction | 675a0dc3-74e2-4d75-8b39-21acb2b446ec | mp-755275 | Move atoms at indices [12, 2, 6, 4, 0, 7, 8, 9, 13] by [ 0.745 -0.202 -1.304] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2Ni2O8
_chemical_formula_sum "Li2 Fe2 Ni2 O8"
_cell_length_a 5.94280347
_cell_length_b 5.94280347
_cell_length_c 5.94280347
_cell_angle_alpha 123.09092136
_cell_angle_beta 122.20304436000002
_cell_angle_gamma 85.47520821000002
... | data_image0
_chemical_formula_structural Li2Fe2Ni2O8
_chemical_formula_sum "Li2 Fe2 Ni2 O8"
_cell_length_a 5.94280347
_cell_length_b 5.94280347
_cell_length_c 5.94280347
_cell_angle_alpha 123.09092136
_cell_angle_beta 122.20304436000002
_cell_angle_gamma 85.47520821000002
... |
MoveTowardsAtomAction | a8a984d3-b6ec-4fc2-9557-e00869c51bc7 | mp-36529 | Move the atom at index 24 towards the atom at index 0 by 0.373 angstrom in the cif file. | data_image0
_chemical_formula_structural Na3W10O30
_chemical_formula_sum "Na3 W10 O30"
_cell_length_a 5.504301
_cell_length_b 6.736154
_cell_length_c 16.03167972
_cell_angle_alpha 81.98692636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Na3W10O30
_chemical_formula_sum "Na3 W10 O30"
_cell_length_a 5.504301
_cell_length_b 6.736154
_cell_length_c 16.03167972
_cell_angle_alpha 81.98692636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 883f446d-a62c-4be1-b774-bf0a11036d69 | mp-1192151 | Move the atom at index 17 towards the atom at index 7 by 2.975 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... |
MoveTowardsAtomAction | 8db7ae2a-bde6-4cbf-bfe1-9a04e3c2b7aa | mp-1190262 | Move the atom at index 15 towards the atom at index 17 by 1.379 angstrom in the cif file. | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... |
MoveTowardsAtomAction | cafd97aa-e87d-46f9-8f4b-e3c06896dc2a | mp-1174686 | Move the atom at index 8 towards the atom at index 14 by 2.045 angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 4.952558
_cell_length_b 5.12195824
_cell_length_c 10.24540239
_cell_angle_alpha 100.31488782
_cell_angle_beta 98.10248081
_cell_angle_gamma 100.05603004
_space_gro... | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 4.952558
_cell_length_b 5.12195824
_cell_length_c 10.24540239
_cell_angle_alpha 100.31488782
_cell_angle_beta 98.10248081
_cell_angle_gamma 100.05603004
_space_gro... |
MoveTowardsAtomAction | b4428ed5-c3e1-4739-8ee1-f8042683fbda | mp-776484 | Move the atom at index 22 towards the atom at index 3 by 2.556 angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Sn6P16O58
_chemical_formula_sum "Li12 Sn6 P16 O58"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
_space... | data_image0
_chemical_formula_structural Li12Sn6P16O58
_chemical_formula_sum "Li12 Sn6 P16 O58"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
_space... |
MoveTowardsAtomAction | 5988393c-95b8-4dc6-8ae9-db4187276875 | mp-36982 | Move the atom at index 47 towards the atom at index 33 by 0.598 angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Ti16S32
_chemical_formula_sum "Mg2 Ti16 S32"
_cell_length_a 7.015726
_cell_length_b 9.905398
_cell_length_c 14.009673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Mg2Ti16S32
_chemical_formula_sum "Mg2 Ti16 S32"
_cell_length_a 7.015726
_cell_length_b 9.905398
_cell_length_c 14.009673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveTowardsAtomAction | 9a051eca-ef5c-4dda-8640-923e339cb19d | mp-1214497 | Move the atom at index 3 towards the atom at index 19 by 1.679 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... |
MoveTowardsAtomAction | 48581211-6cbc-4365-9510-fbdc3f58beb9 | mp-534935 | Move the atom at index 85 towards the atom at index 91 by 0.833 angstrom in the cif file. | data_image0
_chemical_formula_structural Sr3Pr10Al12Si18N36O18
_chemical_formula_sum "Sr3 Pr10 Al12 Si18 N36 O18"
_cell_length_a 11.70973373
_cell_length_b 11.70973373
_cell_length_c 11.70921533
_cell_angle_alpha 70.56586439999998
_cell_angle_beta 70.5658644
_cell_angle_gamma... | data_image0
_chemical_formula_structural Sr3Pr10Al12Si18N36O18
_chemical_formula_sum "Sr3 Pr10 Al12 Si18 N36 O18"
_cell_length_a 11.70973373
_cell_length_b 11.70973373
_cell_length_c 11.70921533
_cell_angle_alpha 70.56586439999998
_cell_angle_beta 70.5658644
_cell_angle_gamma... |
MoveTowardsAtomAction | f04b969a-456e-4c00-a5e3-645e3b768cd3 | mp-5626 | Move the atom at index 6 towards the atom at index 8 by 1.416 angstrom in the cif file. | data_image0
_chemical_formula_structural K12Sb4Te12
_chemical_formula_sum "K12 Sb4 Te12"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_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 K12Sb4Te12
_chemical_formula_sum "K12 Sb4 Te12"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveTowardsAtomAction | 6b9ffd5f-e30c-4477-add8-d46100de50a0 | mp-772666 | Move the atom at index 10 towards the atom at index 18 by 1.115 angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cr4O14
_chemical_formula_sum "Li4 Cr4 O14"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_space_grou... | data_image0
_chemical_formula_structural Li4Cr4O14
_chemical_formula_sum "Li4 Cr4 O14"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_space_grou... |
MoveTowardsAtomAction | 9bc6d3c6-9ca7-4eda-88ee-0db3c700be4b | mp-1214285 | Move the atom at index 20 towards the atom at index 17 by 2.479 angstrom in the cif file. | data_image0
_chemical_formula_structural Be8Si8Ag16O32
_chemical_formula_sum "Be8 Si8 Ag16 O32"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_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 Be8Si8Ag16O32
_chemical_formula_sum "Be8 Si8 Ag16 O32"
_cell_length_a 5.043717
_cell_length_b 10.149675
_cell_length_c 14.40424
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveTowardsAtomAction | 43b66fc7-ef05-4bf2-a280-5c2f3f46a384 | mp-580962 | Move the atom at index 14 towards the atom at index 15 by 2.321 angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2C4I6N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Rb2C4I6N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveTowardsAtomAction | 1e742fd1-d512-4f9b-a203-2d7096a03887 | mp-6192 | Move the atom at index 4 towards the atom at index 3 by 1.498 angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2DySbO6
_chemical_formula_sum "Ba2 Dy1 Sb1 O6"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... | data_image0
_chemical_formula_structural Ba2DySbO6
_chemical_formula_sum "Ba2 Dy1 Sb1 O6"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... |
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