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 | b6b9ec58-b7a9-4803-951e-f15a92e4239c | mp-1216004 | Move atoms at indices [3, 7, 14, 0, 8, 13, 9, 11, 12, 5, 17, 4, 16, 6, 10] by [ 1.57 -1.239 -2.801] angstrom in the cif file. | data_image0
_chemical_formula_structural YThB8Rh8
_chemical_formula_sum "Y1 Th1 B8 Rh8"
_cell_length_a 5.363008
_cell_length_b 5.363008
_cell_length_c 7.55828
_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 YThB8Rh8
_chemical_formula_sum "Y1 Th1 B8 Rh8"
_cell_length_a 5.363008
_cell_length_b 5.363008
_cell_length_c 7.55828
_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 | c7230372-f4f8-44ec-854e-63380f409f69 | mp-554501 | Move atoms at indices [33, 46, 25, 36, 7, 1, 8, 19, 28, 30, 0, 44, 5, 27, 2, 15, 22, 45, 47] by [ 3.035 2.123 -1.334] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10Os6Cl2O30
_chemical_formula_sum "Ba10 Os6 Cl2 O30"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ba10Os6Cl2O30
_chemical_formula_sum "Ba10 Os6 Cl2 O30"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_name_H-M_... |
MoveSelectedAtomsAction | acaacc1a-8ff9-4664-abcd-8f0ac2a8c181 | mp-675818 | Move atoms at indices [7, 9, 5, 3, 4, 6, 1, 12, 2, 10, 15, 13, 14, 16] by [ 3.4 -0.096 1.853] angstrom in the cif file. | data_image0
_chemical_formula_structural Li11TiAs5
_chemical_formula_sum "Li11 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... | data_image0
_chemical_formula_structural Li11TiAs5
_chemical_formula_sum "Li11 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... |
MoveSelectedAtomsAction | d466958d-d836-4300-bce4-b3bad881fd7c | mp-25275 | Move atoms at indices [10, 6, 5, 2, 11, 3, 8, 1, 4, 7, 0] by [ 0.486 0.704 -0.85 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4O8
_chemical_formula_sum "Mn4 O8"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_name_H-... | data_image0
_chemical_formula_structural Mn4O8
_chemical_formula_sum "Mn4 O8"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_name_H-... |
MoveSelectedAtomsAction | 639e3659-f03c-464f-8fb9-d32e86209f5a | mp-561499 | Move atoms at indices [3, 22, 10, 5, 17] by [-3.739 1.388 1.881] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy6Cu2Sn2S14
_chemical_formula_sum "Dy6 Cu2 Sn2 S14"
_cell_length_a 9.75637646
_cell_length_b 9.75637646
_cell_length_c 6.258282
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000314
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Dy6Cu2Sn2S14
_chemical_formula_sum "Dy6 Cu2 Sn2 S14"
_cell_length_a 9.75637646
_cell_length_b 9.75637646
_cell_length_c 6.258282
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000314
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 9a532ba4-ef70-4b11-af0a-7f337251b85a | mp-554765 | Move atoms at indices [13, 9, 10, 7, 5, 1, 6] by [-1.137 -4.193 -0.218] angstrom in the cif file. | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... | data_image0
_chemical_formula_structural BaSb2F12
_chemical_formula_sum "Ba1 Sb2 F12"
_cell_length_a 5.52104672
_cell_length_b 5.60524567
_cell_length_c 9.39590659
_cell_angle_alpha 94.69319605
_cell_angle_beta 99.8046361
_cell_angle_gamma 119.53708521000001
_space_group_... |
MoveSelectedAtomsAction | ec458e6a-5a8c-45df-8bbb-2aa7e5290ecd | mp-6268 | Move atoms at indices [29, 9, 1, 28, 47, 10, 36, 59, 8, 23, 18, 34, 62, 5, 48, 22, 7, 58, 16, 26, 38, 56, 12, 50, 25, 63, 39, 55, 57, 37] by [-0.193 -4.333 -1.947] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Ti8P8O40
_chemical_formula_sum "K8 Ti8 P8 O40"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_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 K8Ti8P8O40
_chemical_formula_sum "K8 Ti8 P8 O40"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | bfe44ee4-d254-451c-826d-6fa3be410905 | mp-19459 | Move atoms at indices [15, 2, 6, 29, 19, 1, 8, 0, 34, 32, 37, 24, 22, 43, 26, 11, 13, 7, 38, 39, 10, 47, 45, 12, 41, 21, 46, 40, 35, 9, 4, 44, 16, 25, 31, 28, 33, 36, 18, 30, 3, 5, 17, 20, 42, 27] by [ 1.71 -1.045 1.007] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Mg4V8O28
_chemical_formula_sum "K8 Mg4 V8 O28"
_cell_length_a 8.38034339
_cell_length_b 8.38034339
_cell_length_c 11.33005932
_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 K8Mg4V8O28
_chemical_formula_sum "K8 Mg4 V8 O28"
_cell_length_a 8.38034339
_cell_length_b 8.38034339
_cell_length_c 11.33005932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 6809d284-0044-49fe-9d68-18345c9b3cf8 | mp-1040196 | Move atoms at indices [39, 53, 18, 19, 24, 16, 60, 32, 14, 31, 38, 25, 46, 49, 26, 41, 43, 27, 5, 50, 63, 3, 54, 13, 2, 0, 12, 4, 57, 51, 10, 55, 44, 15, 6, 61, 48, 52, 23, 9, 58, 62, 42, 56, 29, 33, 36, 47] by [-0.401 1.822 1.607] angstrom in the cif file. | data_image0
_chemical_formula_structural KMg30BO32
_chemical_formula_sum "K1 Mg30 B1 O32"
_cell_length_a 8.519614
_cell_length_b 8.519614
_cell_length_c 8.620164
_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 KMg30BO32
_chemical_formula_sum "K1 Mg30 B1 O32"
_cell_length_a 8.519614
_cell_length_b 8.519614
_cell_length_c 8.620164
_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 | 9f553108-4bdb-425e-9616-c4352f9243e7 | mp-1237028 | Move atoms at indices [5, 1, 13, 0, 12, 6, 4, 18, 10, 15, 19, 14, 16, 3, 23, 11, 22, 17, 21, 9] by [ 0.825 -0.243 1.332] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Ga4P8H8
_chemical_formula_sum "K4 Ga4 P8 H8"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural K4Ga4P8H8
_chemical_formula_sum "K4 Ga4 P8 H8"
_cell_length_a 5.324932
_cell_length_b 7.97831
_cell_length_c 11.901743
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
MoveSelectedAtomsAction | 1aada18e-8fe0-471e-99f5-e817c50529dd | mp-781617 | Move atoms at indices [12, 9, 7, 16, 30, 17, 18, 20] by [-0.697 -2.257 2.843] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Mn6B6O18
_chemical_formula_sum "Li5 Mn6 B6 O18"
_cell_length_a 5.942569
_cell_length_b 8.29135288
_cell_length_c 9.06754317
_cell_angle_alpha 112.19005998
_cell_angle_beta 102.75710366999999
_cell_angle_gamma 102.45854545000002
... | data_image0
_chemical_formula_structural Li5Mn6B6O18
_chemical_formula_sum "Li5 Mn6 B6 O18"
_cell_length_a 5.942569
_cell_length_b 8.29135288
_cell_length_c 9.06754317
_cell_angle_alpha 112.19005998
_cell_angle_beta 102.75710366999999
_cell_angle_gamma 102.45854545000002
... |
MoveSelectedAtomsAction | 87c44a62-f658-4cd3-8d1a-8c691ccd6c48 | mp-1104546 | Move atoms at indices [7, 10, 0, 4, 6] by [-2.462 -2.926 0.986] angstrom in the cif file. | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... |
MoveSelectedAtomsAction | 05b04ad9-8df0-44a5-9e58-86d2dc8101e7 | mp-1226141 | Move atoms at indices [11, 7] by [-3.779 -1.511 1.672] angstrom in the cif file. | data_image0
_chemical_formula_structural Co12B2P2
_chemical_formula_sum "Co12 B2 P2"
_cell_length_a 4.251228
_cell_length_b 6.5982062400000006
_cell_length_c 6.38142602
_cell_angle_alpha 92.76012653
_cell_angle_beta 109.45666983
_cell_angle_gamma 71.20698522999999
_space_... | data_image0
_chemical_formula_structural Co12B2P2
_chemical_formula_sum "Co12 B2 P2"
_cell_length_a 4.251228
_cell_length_b 6.5982062400000006
_cell_length_c 6.38142602
_cell_angle_alpha 92.76012653
_cell_angle_beta 109.45666983
_cell_angle_gamma 71.20698522999999
_space_... |
MoveSelectedAtomsAction | bd561a14-7ecd-49b6-984a-5477dcc5fbdb | mp-675418 | Move atoms at indices [23, 16, 12, 4, 21, 17, 1, 8, 6, 13, 20, 14, 19, 9, 15, 3, 0, 18, 11, 22, 10, 7, 5] by [-2.769 -0.576 -0.641] angstrom in the cif file. | data_image0
_chemical_formula_structural B3H18N3
_chemical_formula_sum "B3 H18 N3"
_cell_length_a 4.305688
_cell_length_b 4.439956339999999
_cell_length_c 11.417344070000002
_cell_angle_alpha 100.19653617
_cell_angle_beta 88.96740159
_cell_angle_gamma 109.27519259
_space_... | data_image0
_chemical_formula_structural B3H18N3
_chemical_formula_sum "B3 H18 N3"
_cell_length_a 4.305688
_cell_length_b 4.439956339999999
_cell_length_c 11.417344070000002
_cell_angle_alpha 100.19653617
_cell_angle_beta 88.96740159
_cell_angle_gamma 109.27519259
_space_... |
MoveSelectedAtomsAction | 855ecded-2172-4bf7-b005-521b701dcce4 | mp-1095216 | Move atoms at indices [4, 1, 9, 8, 11, 2, 10, 3, 0, 5, 6, 7] by [-5.696 -2.143 3.222] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... |
MoveSelectedAtomsAction | 093ddb7e-3df8-46a7-a822-adbf6adf24bb | mp-567967 | Move atoms at indices [23, 11, 15, 2, 7, 17, 0, 6, 3, 1, 14, 9] by [ 3.297 1.05 -0.938] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ga4I16
_chemical_formula_sum "Li4 Ga4 I16"
_cell_length_a 7.56266035
_cell_length_b 8.11525926
_cell_length_c 14.93753375
_cell_angle_alpha 87.26535003999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li4Ga4I16
_chemical_formula_sum "Li4 Ga4 I16"
_cell_length_a 7.56266035
_cell_length_b 8.11525926
_cell_length_c 14.93753375
_cell_angle_alpha 87.26535003999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | dbd90ac6-76d1-41ce-a35d-5fd4e54982f5 | mp-772952 | Move atoms at indices [51, 17, 16, 18, 53, 15, 49, 1, 33, 28, 13, 4, 19, 52, 14, 6, 10, 45, 20, 46, 11, 55, 23, 22, 3, 25, 31, 32, 29, 26, 44, 7, 30, 9, 42, 0, 54, 43, 36, 27, 21, 40, 39, 8, 48, 12, 38, 24, 47, 41, 35, 50, 34, 5] by [ 3.568 -3.346 -1.356] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V12Sn4O32
_chemical_formula_sum "Li8 V12 Sn4 O32"
_cell_length_a 8.510521
_cell_length_b 8.510521
_cell_length_c 8.510521
_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 Li8V12Sn4O32
_chemical_formula_sum "Li8 V12 Sn4 O32"
_cell_length_a 8.510521
_cell_length_b 8.510521
_cell_length_c 8.510521
_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 | 33bc6b9a-dcc6-4407-9b11-21e13b1eaab8 | mp-1196284 | Move atoms at indices [45, 35, 18, 34, 42, 41, 32, 30, 52, 31, 17, 27, 7, 43, 13, 28, 16, 26, 21, 9, 22, 15, 29, 50, 11, 0, 8, 47, 12, 6, 36, 1, 40, 10, 48, 53, 3, 46, 51, 24, 14, 20, 49] by [0.434 2.899 1.869] angstrom in the cif file. | data_image0
_chemical_formula_structural U6Al38Ni10
_chemical_formula_sum "U6 Al38 Ni10"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U6Al38Ni10
_chemical_formula_sum "U6 Al38 Ni10"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 2d435e29-29fd-415d-a4a4-326fe888fb88 | mp-1041629 | Move atoms at indices [4, 9, 23, 12, 14] by [0.143 4.284 4.267] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg4Co8O16
_chemical_formula_sum "Mg4 Co8 O16"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 9.669462
_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 Mg4Co8O16
_chemical_formula_sum "Mg4 Co8 O16"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 9.669462
_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 | ce7100a5-917f-4574-a26d-59446f10f875 | mp-766533 | Move atoms at indices [0, 19, 31, 28, 40] by [-3.721 -1.284 -0.38 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Cr3FeP4C4O28
_chemical_formula_sum "Li12 Cr3 Fe1 P4 C4 O28"
_cell_length_a 6.470404
_cell_length_b 8.650314
_cell_length_c 10.02797152
_cell_angle_alpha 85.61151376999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Li12Cr3FeP4C4O28
_chemical_formula_sum "Li12 Cr3 Fe1 P4 C4 O28"
_cell_length_a 6.470404
_cell_length_b 8.650314
_cell_length_c 10.02797152
_cell_angle_alpha 85.61151376999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
MoveSelectedAtomsAction | 56dff76a-1b81-4987-952b-8e866b55b2e0 | mp-1214689 | Move atoms at indices [0, 22, 26, 5, 10, 20, 31, 19, 3, 39, 9, 29, 27, 28, 30, 4, 15, 13, 25, 36, 18, 14] by [ 1.028 2.226 -0.384] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce8In24Pt8
_chemical_formula_sum "Ce8 In24 Pt8"
_cell_length_a 9.83762838
_cell_length_b 9.83762838
_cell_length_c 9.83762838
_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 Ce8In24Pt8
_chemical_formula_sum "Ce8 In24 Pt8"
_cell_length_a 9.83762838
_cell_length_b 9.83762838
_cell_length_c 9.83762838
_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 | f2c2f404-4691-49cb-8d05-88904722e7df | mp-764443 | Move atoms at indices [2, 17, 16, 13, 11, 14, 0, 20, 8, 23, 12, 24, 15, 10, 7, 25, 3, 27, 18, 26, 6, 19, 22, 5, 1, 21, 4] by [-2.083 0.828 -1.151] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn3Fe3W2O16
_chemical_formula_sum "Li4 Mn3 Fe3 W2 O16"
_cell_length_a 5.96236
_cell_length_b 6.048732359999999
_cell_length_c 9.872432370000002
_cell_angle_alpha 88.54895862
_cell_angle_beta 89.19172718999998
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Li4Mn3Fe3W2O16
_chemical_formula_sum "Li4 Mn3 Fe3 W2 O16"
_cell_length_a 5.96236
_cell_length_b 6.048732359999999
_cell_length_c 9.872432370000002
_cell_angle_alpha 88.54895862
_cell_angle_beta 89.19172718999998
_cell_angle_gamma 60... |
MoveSelectedAtomsAction | fb21b2a9-b469-4766-8d3d-d974b48d5419 | mp-5794 | Move atoms at indices [11, 5, 7] by [ 2.115 -0.829 1.802] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn2Ga4O8
_chemical_formula_sum "Zn2 Ga4 O8"
_cell_length_a 5.89895224
_cell_length_b 5.898952539999999
_cell_length_c 5.89895211
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_angle_gamma 59.9999914700... | data_image0
_chemical_formula_structural Zn2Ga4O8
_chemical_formula_sum "Zn2 Ga4 O8"
_cell_length_a 5.89895224
_cell_length_b 5.898952539999999
_cell_length_c 5.89895211
_cell_angle_alpha 59.999991269999995
_cell_angle_beta 59.99998957999999
_cell_angle_gamma 59.9999914700... |
MoveSelectedAtomsAction | 2ac7eea0-33e7-4a7a-9803-e68f47f9aef9 | mp-1196179 | Move atoms at indices [1, 44, 32, 53, 43, 5, 2, 50, 33, 38, 28, 47, 46, 37, 9, 23, 54, 16, 29, 27, 40, 26, 51, 4, 49, 21, 22, 25, 7, 19, 6, 39, 48] by [-0.152 1.359 2.001] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm16Cr8S32
_chemical_formula_sum "Tm16 Cr8 S32"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_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 Tm16Cr8S32
_chemical_formula_sum "Tm16 Cr8 S32"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_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 | 40d07a89-a06c-49ba-bc29-8a62d996138c | mp-779351 | Move atoms at indices [4, 37, 12, 30, 19, 5, 2, 25, 10, 31, 9, 29, 40, 21, 23, 22] by [-0.683 0.538 -0.692] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4MnP6H8O22
_chemical_formula_sum "Li4 Mn1 P6 H8 O22"
_cell_length_a 7.011207
_cell_length_b 7.49344322
_cell_length_c 8.57368673
_cell_angle_alpha 84.98040173
_cell_angle_beta 76.32377806
_cell_angle_gamma 86.00004733
_space_grou... | data_image0
_chemical_formula_structural Li4MnP6H8O22
_chemical_formula_sum "Li4 Mn1 P6 H8 O22"
_cell_length_a 7.011207
_cell_length_b 7.49344322
_cell_length_c 8.57368673
_cell_angle_alpha 84.98040173
_cell_angle_beta 76.32377806
_cell_angle_gamma 86.00004733
_space_grou... |
MoveSelectedAtomsAction | b4230814-4e42-4b8c-8a70-fd3a0e49c48b | mp-1518110 | Move atoms at indices [9] by [2.887 2.617 3.477] angstrom in the cif file. | data_image0
_chemical_formula_structural SrEuYCoO6
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... | data_image0
_chemical_formula_structural SrEuYCoO6
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... |
MoveSelectedAtomsAction | 1ad16514-bb0e-4420-9ed6-16cc6646976b | mp-1213985 | Move atoms at indices [14, 8] by [0.571 0.381 2.823] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Al2Si2O10
_chemical_formula_sum "Ca2 Al2 Si2 O10"
_cell_length_a 5.40348661
_cell_length_b 5.40348661
_cell_length_c 7.0302548300000005
_cell_angle_alpha 76.93014101
_cell_angle_beta 76.93014101
_cell_angle_gamma 106.97255978
_s... | data_image0
_chemical_formula_structural Ca2Al2Si2O10
_chemical_formula_sum "Ca2 Al2 Si2 O10"
_cell_length_a 5.40348661
_cell_length_b 5.40348661
_cell_length_c 7.0302548300000005
_cell_angle_alpha 76.93014101
_cell_angle_beta 76.93014101
_cell_angle_gamma 106.97255978
_s... |
MoveSelectedAtomsAction | 61ff1baf-c5d0-4e1c-85e6-795db1caa024 | mp-1235973 | Move atoms at indices [2, 10, 17, 8, 20, 11, 14, 5, 0, 13, 19, 7, 3, 15] by [-0.763 1.429 1.27 ] angstrom in the cif file. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 0f101129-f60a-4eb1-b8e9-6a1e88e9e37c | mp-640163 | Move atoms at indices [20, 16, 26, 18, 6, 8, 13, 12, 2, 1, 3, 11, 22, 25] by [-0.263 1.839 -0.419] angstrom in the cif file. | data_image0
_chemical_formula_structural Co8W16C4
_chemical_formula_sum "Co8 W16 C4"
_cell_length_a 8.01283788
_cell_length_b 8.01283788
_cell_length_c 8.01283788
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... | data_image0
_chemical_formula_structural Co8W16C4
_chemical_formula_sum "Co8 W16 C4"
_cell_length_a 8.01283788
_cell_length_b 8.01283788
_cell_length_c 8.01283788
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... |
MoveSelectedAtomsAction | d55b3f2b-dec9-462e-bba9-87e7586a90b9 | mp-1101169 | Move atoms at indices [6, 19, 17, 14, 16, 5, 0, 7, 2, 3, 9, 10] by [-1.525 -3.337 2.65 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Y6Al2O12
_chemical_formula_sum "Y6 Al2 O12"
_cell_length_a 6.45871299
_cell_length_b 6.458712990000001
_cell_length_c 6.4587129
_cell_angle_alpha 92.33703191
_cell_angle_beta 92.33703191
_cell_angle_gamma 92.33703204000001
_space_g... | data_image0
_chemical_formula_structural Y6Al2O12
_chemical_formula_sum "Y6 Al2 O12"
_cell_length_a 6.45871299
_cell_length_b 6.458712990000001
_cell_length_c 6.4587129
_cell_angle_alpha 92.33703191
_cell_angle_beta 92.33703191
_cell_angle_gamma 92.33703204000001
_space_g... |
MoveSelectedAtomsAction | 125d0bad-c73c-43af-b1ca-96a630309041 | mp-2230416 | Move atoms at indices [1, 10, 4, 0, 11, 3, 18, 16, 9, 2] by [-3.592 2.053 0.778] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe6O10F2
_chemical_formula_sum "Mg1 Fe6 O10 F2"
_cell_length_a 7.94805205
_cell_length_b 5.703519290000001
_cell_length_c 5.87140836
_cell_angle_alpha 69.20643122999999
_cell_angle_beta 65.00566187
_cell_angle_gamma 66.93554547
_... | data_image0
_chemical_formula_structural MgFe6O10F2
_chemical_formula_sum "Mg1 Fe6 O10 F2"
_cell_length_a 7.94805205
_cell_length_b 5.703519290000001
_cell_length_c 5.87140836
_cell_angle_alpha 69.20643122999999
_cell_angle_beta 65.00566187
_cell_angle_gamma 66.93554547
_... |
MoveSelectedAtomsAction | 0680547c-056f-4b1a-8f3f-d5000aff100f | mp-1096906 | Move atoms at indices [23, 19, 10, 13, 39, 22, 25, 24, 38, 43, 30, 14, 20, 34, 12, 26, 41, 6, 33, 28, 3, 1, 21, 47, 7, 8, 44, 45, 16, 36, 4, 40, 42, 37, 11, 15, 27, 29, 9] by [ 0.863 -2.065 -0.225] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr16N32
_chemical_formula_sum "Cr16 N32"
_cell_length_a 8.26778468
_cell_length_b 12.517896580000002
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63089116
_space_group_n... | data_image0
_chemical_formula_structural Cr16N32
_chemical_formula_sum "Cr16 N32"
_cell_length_a 8.26778468
_cell_length_b 12.517896580000002
_cell_length_c 12.51789676
_cell_angle_alpha 72.56061355
_cell_angle_beta 80.63089274
_cell_angle_gamma 80.63089116
_space_group_n... |
MoveSelectedAtomsAction | a1f2be19-8eef-4e82-8521-fefcce4be44b | mp-11726 | Move atoms at indices [16, 19, 24, 9, 22, 11, 23, 13, 26, 6, 18] by [-0.103 0.712 0.321] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... |
MoveSelectedAtomsAction | c5ab0dc9-8682-4351-b47b-6fe4ba6dfc9d | mp-2222843 | Move atoms at indices [5, 3, 7, 2, 6, 9] by [-0.88 -1.315 -1.957] angstrom in the cif file. | data_image0
_chemical_formula_structural KMgNiIO6
_chemical_formula_sum "K1 Mg1 Ni1 I1 O6"
_cell_length_a 5.243893
_cell_length_b 5.24389277
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural KMgNiIO6
_chemical_formula_sum "K1 Mg1 Ni1 I1 O6"
_cell_length_a 5.243893
_cell_length_b 5.24389277
_cell_length_c 6.498199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000775000001
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | dcd88190-43b0-4b23-9759-814bcd5495a8 | mp-557340 | Move atoms at indices [4, 52, 17, 56, 25, 30, 34] by [ 0.07 -0.359 1.664] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.43567058
_cell_length_b 10.43567058
_cell_length_c 10.899195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000037
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.43567058
_cell_length_b 10.43567058
_cell_length_c 10.899195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000037
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 63ada570-9a1a-4c5b-b5af-d01fbd13df59 | mp-1181012 | Move atoms at indices [56, 9, 13, 54, 1, 73, 53, 11, 37, 51, 8, 70, 23, 49, 7, 12, 46, 61, 65, 32, 52, 41, 44, 58, 31, 19, 67, 83, 33, 24, 4, 63, 62, 34, 66, 35, 55, 30, 39, 50, 0] by [-1.781 -1.856 -0.89 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li16Re24S44
_chemical_formula_sum "Li16 Re24 S44"
_cell_length_a 9.66013382
_cell_length_b 11.98810755
_cell_length_c 13.76111451
_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 Li16Re24S44
_chemical_formula_sum "Li16 Re24 S44"
_cell_length_a 9.66013382
_cell_length_b 11.98810755
_cell_length_c 13.76111451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | c7394c97-d610-45a5-8196-fb504a362b48 | mp-1026568 | Move atoms at indices [4, 1, 12] by [-1.341 0.527 -1.145] angstrom in the cif file. | data_image0
_chemical_formula_structural CsMg14Sb
_chemical_formula_sum "Cs1 Mg14 Sb1"
_cell_length_a 6.5134399
_cell_length_b 6.51343935
_cell_length_c 11.12332739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural CsMg14Sb
_chemical_formula_sum "Cs1 Mg14 Sb1"
_cell_length_a 6.5134399
_cell_length_b 6.51343935
_cell_length_c 11.12332739
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000277
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 77fe5e75-b6eb-4cf1-9b96-daf275f566c7 | mp-1216955 | Move atoms at indices [1, 4, 11, 0, 3, 8, 7, 9, 10, 5, 2] by [2.185 1.921 1.689] angstrom in the cif file. | data_image0
_chemical_formula_structural U4SiNi7
_chemical_formula_sum "U4 Si1 Ni7"
_cell_length_a 5.07496906
_cell_length_b 5.074279
_cell_length_c 7.85478305
_cell_angle_alpha 90.0
_cell_angle_beta 89.98928875
_cell_angle_gamma 60.00449134
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U4SiNi7
_chemical_formula_sum "U4 Si1 Ni7"
_cell_length_a 5.07496906
_cell_length_b 5.074279
_cell_length_c 7.85478305
_cell_angle_alpha 90.0
_cell_angle_beta 89.98928875
_cell_angle_gamma 60.00449134
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 6696d771-e9dc-4bf2-9736-0cdbb1ebe5be | mp-753310 | Move atoms at indices [13, 11, 4, 9, 3, 8, 6, 5, 7] by [ 1.287 -1.574 -1.844] 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 | fb6d6a6f-1660-48a5-b5ed-f958bbedf81f | mp-1193845 | Move atoms at indices [23, 24, 1, 13, 3, 9, 6, 19, 25, 18, 8, 28] by [-1.072 -2.745 -0.19 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
MoveSelectedAtomsAction | 7c12ad73-5edf-4b14-9df1-5574c6db4acc | mp-1176021 | Move atoms at indices [16, 17, 6, 27, 31, 26, 29, 22, 13] by [-2.404 -1.572 1.029] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space_group... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space_group... |
MoveSelectedAtomsAction | b0e9c0be-9a57-4193-a79e-6f24b9c438e0 | mp-1205633 | Move atoms at indices [1, 2] by [ 0.412 -0.234 -0.026] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs3FeF6
_chemical_formula_sum "Cs3 Fe1 F6"
_cell_length_a 6.92799531
_cell_length_b 6.92799531
_cell_length_c 6.92799531
_cell_angle_alpha 121.95413026
_cell_angle_beta 121.95413026
_cell_angle_gamma 86.64741101
_space_group_name_H... | data_image0
_chemical_formula_structural Cs3FeF6
_chemical_formula_sum "Cs3 Fe1 F6"
_cell_length_a 6.92799531
_cell_length_b 6.92799531
_cell_length_c 6.92799531
_cell_angle_alpha 121.95413026
_cell_angle_beta 121.95413026
_cell_angle_gamma 86.64741101
_space_group_name_H... |
MoveSelectedAtomsAction | fc2b7fa9-3efa-4bc0-9778-c5691839ea74 | mp-1293179 | Move atoms at indices [31, 20, 21, 3, 16, 17, 26, 6, 5, 9, 23, 8, 30, 13, 28, 4, 29, 22, 27, 15, 14] by [-1.328 -0.81 2.702] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co6Ni2O16
_chemical_formula_sum "Li8 Co6 Ni2 O16"
_cell_length_a 5.82200013
_cell_length_b 10.23037614
_cell_length_c 5.86302254
_cell_angle_alpha 73.58274774
_cell_angle_beta 60.346499339999994
_cell_angle_gamma 73.49113656
_sp... | data_image0
_chemical_formula_structural Li8Co6Ni2O16
_chemical_formula_sum "Li8 Co6 Ni2 O16"
_cell_length_a 5.82200013
_cell_length_b 10.23037614
_cell_length_c 5.86302254
_cell_angle_alpha 73.58274774
_cell_angle_beta 60.346499339999994
_cell_angle_gamma 73.49113656
_sp... |
MoveSelectedAtomsAction | 0bdfa3d4-19b5-4890-9c7c-935e1672a3cc | mp-1227709 | Move atoms at indices [26, 30, 19, 35, 32, 17, 6, 15, 4, 22, 29, 24, 10, 37, 21, 13, 5, 11, 36, 28, 0, 27, 12, 31, 18, 7, 3, 14, 8, 2, 9, 16] by [-1.252 -0.349 1.628] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi2P6Pb6O24
_chemical_formula_sum "Bi2 P6 Pb6 O24"
_cell_length_a 9.16329836
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_gamma 109.421... | data_image0
_chemical_formula_structural Bi2P6Pb6O24
_chemical_formula_sum "Bi2 P6 Pb6 O24"
_cell_length_a 9.16329836
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_gamma 109.421... |
MoveSelectedAtomsAction | 092ab031-f3fa-4bf2-8231-4235a3061276 | mp-1520366 | Move atoms at indices [5, 3, 19, 13, 9, 8, 0, 14, 6, 15, 16] by [2.102 1.742 0.923] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Nb2Sb2O12
_chemical_formula_sum "Ba2 Sr2 Nb2 Sb2 O12"
_cell_length_a 6.0076562
_cell_length_b 5.99054509
_cell_length_c 8.48561242
_cell_angle_alpha 90.31490431
_cell_angle_beta 89.74584367999998
_cell_angle_gamma 89.698369430... | data_image0
_chemical_formula_structural Ba2Sr2Nb2Sb2O12
_chemical_formula_sum "Ba2 Sr2 Nb2 Sb2 O12"
_cell_length_a 6.0076562
_cell_length_b 5.99054509
_cell_length_c 8.48561242
_cell_angle_alpha 90.31490431
_cell_angle_beta 89.74584367999998
_cell_angle_gamma 89.698369430... |
MoveSelectedAtomsAction | 02470f8f-c5b1-41da-8f23-d4e0a1f8eff2 | mp-1199158 | Move atoms at indices [17, 27, 33, 2, 4, 36, 6, 3, 21, 15, 41] by [-0.945 -1.064 -0.11 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm22Sn20
_chemical_formula_sum "Tm22 Sn20"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Tm22Sn20
_chemical_formula_sum "Tm22 Sn20"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_space_gro... |
MoveSelectedAtomsAction | 80935d3a-f649-45d4-88db-ee1b977ee366 | mp-3380 | Move atoms at indices [3, 9, 2, 11, 0] by [-3.598 4.082 -0.412] angstrom in the cif file. | data_image0
_chemical_formula_structural La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 | ffbc64b5-86c5-413a-b4b9-8e466516a57d | mp-704542 | Move atoms at indices [1, 52, 5, 34, 42, 73, 59, 95, 35, 38, 87, 97, 78, 64, 92, 36, 90, 16, 29, 69, 62, 37, 98, 24, 23, 14, 2] by [ 2.756 -0.176 -2.702] 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 | cd30af52-ac1f-4e7e-a1f4-a91d3b5d6c73 | mp-1201283 | Move atoms at indices [5, 30, 28, 24, 6, 31, 0, 8, 1, 19, 27, 15, 2, 3, 4, 26] by [-1.695 -0.252 1.662] angstrom in the cif file. | data_image0
_chemical_formula_structural Re4C4N4Cl12O8
_chemical_formula_sum "Re4 C4 N4 Cl12 O8"
_cell_length_a 9.34169111
_cell_length_b 9.34169111
_cell_length_c 17.2596905
_cell_angle_alpha 68.30552362
_cell_angle_beta 68.30552362
_cell_angle_gamma 53.79756123999999
_s... | data_image0
_chemical_formula_structural Re4C4N4Cl12O8
_chemical_formula_sum "Re4 C4 N4 Cl12 O8"
_cell_length_a 9.34169111
_cell_length_b 9.34169111
_cell_length_c 17.2596905
_cell_angle_alpha 68.30552362
_cell_angle_beta 68.30552362
_cell_angle_gamma 53.79756123999999
_s... |
MoveSelectedAtomsAction | 20476704-8a5c-4851-b19b-5aa415bd6990 | mp-1111088 | Move atoms at indices [6, 3, 7, 2, 4, 0, 9] by [ 0.14 -0.856 -0.811] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
MoveSelectedAtomsAction | b6d0093b-ca75-428f-92a6-1222b01a09e4 | mp-779589 | Move atoms at indices [51, 62, 72, 33, 1, 9, 22, 50, 7, 68, 38, 65, 53, 48, 25, 2, 70, 34, 86, 77, 15, 13, 3, 80, 8, 18, 63, 64, 27, 39, 83, 75, 14, 81, 21, 67, 19, 59, 30, 41, 73, 44, 11, 78, 55, 79, 26, 74, 43, 5, 84, 66, 23, 37, 6, 45, 24, 49, 4, 71, 52] by [2.062 2.953 2.51 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Sb20O56
_chemical_formula_sum "Na12 Sb20 O56"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_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 Na12Sb20O56
_chemical_formula_sum "Na12 Sb20 O56"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_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 | 71515f62-b03c-41b0-ba2a-827f86cf9446 | mp-1228545 | Move atoms at indices [21] by [ 3.73 -2.146 -0.204] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... |
MoveSelectedAtomsAction | 1b6afaff-abf4-49ad-b6ba-36e38d7d96d8 | mp-760360 | Move atoms at indices [11, 10, 2, 6, 9, 0, 3, 13, 7, 8, 12, 1, 4, 14, 15] by [-1.916 2.769 -2.394] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf6N4O6
_chemical_formula_sum "Hf6 N4 O6"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Hf6N4O6
_chemical_formula_sum "Hf6 N4 O6"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | 4f3da88b-7d53-4e2c-9ad9-6070ca05a502 | mp-1220828 | Move atoms at indices [44, 16, 24, 17, 11, 66, 2, 42, 74, 55, 76, 45, 5, 68, 8, 33, 15, 63, 4, 14, 80, 41, 78, 18, 27, 60, 39, 73, 65, 20, 29, 47, 13, 6, 37, 48, 35, 46, 54, 25, 3, 51, 12, 10, 7, 70, 72, 69, 57, 40, 58, 1, 23, 71, 67, 59, 32, 31, 77, 61, 0, 43, 36, 52, 49, 82, 81, 53, 26, 28, 19, 75, 50, 9, 83] by [-1.... | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... |
MoveSelectedAtomsAction | 6e13e4b9-0398-46ac-95f2-3a0bfd04b31d | mp-1078810 | Move atoms at indices [1, 4, 7, 9, 5] by [-0.966 -2.188 -0.451] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 | 123dfcbd-ef65-401a-af03-c96c7592c897 | mp-1523308 | Move atoms at indices [16, 19, 23, 2, 1, 38, 30, 12, 6, 29, 7, 14, 4, 32, 18, 34, 26, 22, 27, 8, 25, 35, 33, 39, 36, 5, 0, 20, 3, 15] by [-1.937 3.776 0.579] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Sr4Gd4Sb4O24
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb4 O24"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ba4Sr4Gd4Sb4O24
_chemical_formula_sum "Ba4 Sr4 Gd4 Sb4 O24"
_cell_length_a 8.48713645
_cell_length_b 8.49307163
_cell_length_c 8.49950187
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | efbf8574-9bd8-4e77-bec0-d0913bad3cee | mp-1191291 | Move atoms at indices [20, 11, 4, 18, 2, 10, 5, 9, 12, 17] by [ 2.628 1.175 -2.185] angstrom in the cif file. | data_image0
_chemical_formula_structural Hg4S2Br8N4O6
_chemical_formula_sum "Hg4 S2 Br8 N4 O6"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Hg4S2Br8N4O6
_chemical_formula_sum "Hg4 S2 Br8 N4 O6"
_cell_length_a 7.289171
_cell_length_b 10.390601
_cell_length_c 11.31073655
_cell_angle_alpha 83.38940245
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 7ab13037-f371-4bdb-8644-fc0b891c8b1a | mp-1101787 | Move atoms at indices [1] by [-2.303 -0.585 0.772] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... |
MoveSelectedAtomsAction | 2687cc42-049f-497e-b1a6-f28e388f848f | mp-754097 | Move atoms at indices [21, 27, 19, 1, 26, 24, 16, 2, 6, 10, 25, 20, 23, 15, 4, 14, 17, 8, 12, 0, 5, 29, 13, 11, 3, 30, 9, 28, 7, 31, 22, 18] by [-0.392 -0.28 -1.804] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe4B4O16
_chemical_formula_sum "Li8 Fe4 B4 O16"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_space_g... | data_image0
_chemical_formula_structural Li8Fe4B4O16
_chemical_formula_sum "Li8 Fe4 B4 O16"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_space_g... |
MoveSelectedAtomsAction | ffbc96d9-72b4-467d-86a5-991687730b37 | mp-1105260 | Move atoms at indices [11, 14, 6, 3, 19, 1, 0, 13, 17, 18] by [0.351 1.272 0.866] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... |
MoveSelectedAtomsAction | 706ff59d-f5ea-4536-bc3b-7ffb0a4f7378 | mp-1192752 | Move atoms at indices [0, 14, 8, 20, 3, 12, 19, 2, 1, 18, 4, 5, 15, 21, 7, 13, 6, 16, 10, 11, 9, 17] by [-2.575 -0.281 -1.986] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Cl6O14
_chemical_formula_sum "La2 Cl6 O14"
_cell_length_a 7.55993153
_cell_length_b 7.38760346
_cell_length_c 8.209004269999998
_cell_angle_alpha 91.29101192999998
_cell_angle_beta 82.63722464
_cell_angle_gamma 80.39460949
_spac... | data_image0
_chemical_formula_structural La2Cl6O14
_chemical_formula_sum "La2 Cl6 O14"
_cell_length_a 7.55993153
_cell_length_b 7.38760346
_cell_length_c 8.209004269999998
_cell_angle_alpha 91.29101192999998
_cell_angle_beta 82.63722464
_cell_angle_gamma 80.39460949
_spac... |
MoveSelectedAtomsAction | 2ca7948d-3808-47b7-94b7-a1101edfd9a0 | mp-1207428 | Move atoms at indices [4, 0, 8, 1, 7, 2, 10, 5] by [-5.382 2.29 3.351] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 | e8895d93-7c62-462e-8de9-8c5d3c33f2d4 | mp-600078 | Move atoms at indices [20, 41, 38, 39, 25, 11, 45, 36, 6, 23, 15, 49, 26, 7, 50] by [1.295 1.933 3.166] angstrom in the cif file. | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... |
MoveSelectedAtomsAction | e5f665d6-04cb-44b1-b225-c82c5e91a548 | mp-1175936 | Move atoms at indices [8, 6, 3, 17, 18, 31] by [ 2.342 -2.214 -2.901] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.411958870... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.099906
_cell_length_b 5.12897846
_cell_length_c 11.64324019
_cell_angle_alpha 91.01867296000002
_cell_angle_beta 91.61613060000002
_cell_angle_gamma 109.411958870... |
MoveSelectedAtomsAction | 0b5b7244-ad96-4c08-9d25-0c2d3bbecceb | mp-779298 | Move atoms at indices [21, 17, 10, 19, 11, 22] by [ 2.037 -1.044 -1.651] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.495611
_cell_length_b 4.97141401
_cell_length_c 11.0541015
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_cell_angle_gamma 89.41852835
_space_gro... | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.495611
_cell_length_b 4.97141401
_cell_length_c 11.0541015
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_cell_angle_gamma 89.41852835
_space_gro... |
MoveSelectedAtomsAction | a6ec5156-8b2d-4eed-bd92-ea91645d9da1 | mp-1201935 | Move atoms at indices [3, 6, 11, 38] by [ 1.025 -0.382 -2.232] angstrom in the cif file. | data_image0
_chemical_formula_structural K8P8H16O28
_chemical_formula_sum "K8 P8 H16 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K8P8H16O28
_chemical_formula_sum "K8 P8 H16 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | a871d312-714f-498a-a54d-be9aa896aa80 | mp-1226365 | Move atoms at indices [11, 4, 8, 9, 5, 0, 7, 6, 10, 15, 1, 12, 2] by [-3.502 2.944 -2.524] 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 | cbe64c1e-90c1-4a84-9db9-6dafb564ad90 | mp-2309 | Move atoms at indices [3, 12] by [-0.045 -1.68 -1.846] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm8S12
_chemical_formula_sum "Tm8 S12"
_cell_length_a 3.8706667
_cell_length_b 10.86108076
_cell_length_c 11.11103385
_cell_angle_alpha 108.9289019
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Tm8S12
_chemical_formula_sum "Tm8 S12"
_cell_length_a 3.8706667
_cell_length_b 10.86108076
_cell_length_c 11.11103385
_cell_angle_alpha 108.9289019
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | 98bff991-263a-4e16-9405-ef2693beaf53 | mp-2232505 | Move atoms at indices [3, 1, 6, 8, 9, 11, 7] by [-3.697 -0.364 1.262] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2YMgFe3O8
_chemical_formula_sum "Ba2 Y1 Mg1 Fe3 O8"
_cell_length_a 3.98973126
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ba2YMgFe3O8
_chemical_formula_sum "Ba2 Y1 Mg1 Fe3 O8"
_cell_length_a 3.98973126
_cell_length_b 3.98972678
_cell_length_c 15.18140131
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | ecd0c9a8-3017-4925-81a1-fda790574199 | mp-759828 | Move atoms at indices [31, 17, 24, 23, 2, 4, 6, 32, 8, 11, 10, 22, 5, 9, 29, 7, 19, 30, 20, 1, 3, 26, 0, 18, 21, 13, 16, 14, 33, 28] by [-2.3 1.741 2.361] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... |
MoveSelectedAtomsAction | 7d679232-4ba8-4c9f-a402-dabc58c2a93d | mp-684003 | Move atoms at indices [26, 71, 48, 27, 46, 18, 41, 16, 11, 0, 44, 59, 73, 40, 13, 45, 34, 33, 47, 63, 6, 22, 62] by [ 4.007 0.345 -0.947] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti18Fe4B16Ru36
_chemical_formula_sum "Ti18 Fe4 B16 Ru36"
_cell_length_a 17.595783
_cell_length_b 17.595783
_cell_length_c 2.996992
_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 Ti18Fe4B16Ru36
_chemical_formula_sum "Ti18 Fe4 B16 Ru36"
_cell_length_a 17.595783
_cell_length_b 17.595783
_cell_length_c 2.996992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | ddb22253-8829-4e13-820d-1515a48b9fec | mp-1245147 | Move atoms at indices [2, 51, 48, 18, 54, 38, 10, 3, 17, 15] by [-1.892 -3.451 -2.815] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr16Fe16O48
_chemical_formula_sum "Cr16 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... | data_image0
_chemical_formula_structural Cr16Fe16O48
_chemical_formula_sum "Cr16 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... |
MoveSelectedAtomsAction | daeb17e2-3c5a-429d-ba33-7b3e6e1f990a | mp-532538 | Move atoms at indices [55, 22, 48, 56, 31, 4, 32, 19, 24, 63, 29, 8, 72, 21, 42, 44, 33, 38, 65, 58, 35, 27, 41, 61, 40, 16, 28, 2, 73, 70, 11, 20, 25, 18, 68, 45, 43, 60, 67, 46, 12, 71, 14, 26, 3, 5, 57, 9, 62] by [-1.249 -0.454 -1.051] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb10Nd2Hf2Mo12O48
_chemical_formula_sum "Rb10 Nd2 Hf2 Mo12 O48"
_cell_length_a 14.7497935
_cell_length_b 14.7497935
_cell_length_c 14.749794130000002
_cell_angle_alpha 43.98461901999999
_cell_angle_beta 43.98461902
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Rb10Nd2Hf2Mo12O48
_chemical_formula_sum "Rb10 Nd2 Hf2 Mo12 O48"
_cell_length_a 14.7497935
_cell_length_b 14.7497935
_cell_length_c 14.749794130000002
_cell_angle_alpha 43.98461901999999
_cell_angle_beta 43.98461902
_cell_angle_gamma ... |
MoveSelectedAtomsAction | 9294e364-97de-462f-a601-8701a02acd97 | mp-1044867 | Move atoms at indices [32, 16, 25, 10, 8, 17, 9, 31, 4, 2, 11, 35, 3, 20, 27, 30, 33, 18, 28, 23, 34, 19, 21, 24, 7, 0, 12, 15, 6, 14, 26, 13] by [ 1.064 -1.972 -0.367] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi12O24
_chemical_formula_sum "Bi12 O24"
_cell_length_a 7.19961431
_cell_length_b 7.199614310000001
_cell_length_c 15.25134177
_cell_angle_alpha 87.77906003
_cell_angle_beta 87.77906003
_cell_angle_gamma 57.83700482999999
_space_gr... | data_image0
_chemical_formula_structural Bi12O24
_chemical_formula_sum "Bi12 O24"
_cell_length_a 7.19961431
_cell_length_b 7.199614310000001
_cell_length_c 15.25134177
_cell_angle_alpha 87.77906003
_cell_angle_beta 87.77906003
_cell_angle_gamma 57.83700482999999
_space_gr... |
MoveSelectedAtomsAction | b1fe04a0-153b-4711-a66e-d8de0c030906 | mp-1233685 | Move atoms at indices [31, 7, 25, 37, 28, 24, 29, 22, 15, 32, 33, 38, 26, 3, 30, 36, 23, 40, 39, 35, 0, 13] by [ 0.414 0.798 -1.6 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCo4P8O28
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 7.03770128
_cell_length_b 8.2213695
_cell_length_c 9.56835443
_cell_angle_alpha 89.62753152
_cell_angle_beta 108.76427861
_cell_angle_gamma 89.79934385999998
_space_g... | data_image0
_chemical_formula_structural MgCo4P8O28
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 7.03770128
_cell_length_b 8.2213695
_cell_length_c 9.56835443
_cell_angle_alpha 89.62753152
_cell_angle_beta 108.76427861
_cell_angle_gamma 89.79934385999998
_space_g... |
MoveSelectedAtomsAction | bbdd10e9-086d-4db2-8dc4-940359f22efe | mp-1258846 | Move atoms at indices [44, 25, 41, 29, 39, 22, 24, 26] by [-1.263 3.758 2.15 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Zn6Si8O28
_chemical_formula_sum "Mn4 Zn6 Si8 O28"
_cell_length_a 9.2103793
_cell_length_b 9.2103793
_cell_length_c 9.954029250000001
_cell_angle_alpha 60.30029680999999
_cell_angle_beta 60.30029680999999
_cell_angle_gamma 49.8941... | data_image0
_chemical_formula_structural Mn4Zn6Si8O28
_chemical_formula_sum "Mn4 Zn6 Si8 O28"
_cell_length_a 9.2103793
_cell_length_b 9.2103793
_cell_length_c 9.954029250000001
_cell_angle_alpha 60.30029680999999
_cell_angle_beta 60.30029680999999
_cell_angle_gamma 49.8941... |
MoveSelectedAtomsAction | c66704da-f337-44d9-afc2-acdb55abb32c | mp-1225140 | Move atoms at indices [16, 3, 19, 14, 23, 9, 0, 29, 32, 17, 34, 31, 4, 12, 13, 24, 26, 33, 15, 25, 11, 8, 2, 1, 5, 21, 7, 30] by [-2.13 3.528 -1.163] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe2H14C6N2O12
_chemical_formula_sum "Fe2 H14 C6 N2 O12"
_cell_length_a 7.3093874
_cell_length_b 7.44999789
_cell_length_c 8.4872623
_cell_angle_alpha 90.21790051
_cell_angle_beta 90.00000283
_cell_angle_gamma 60.62240100999999
_spa... | data_image0
_chemical_formula_structural Fe2H14C6N2O12
_chemical_formula_sum "Fe2 H14 C6 N2 O12"
_cell_length_a 7.3093874
_cell_length_b 7.44999789
_cell_length_c 8.4872623
_cell_angle_alpha 90.21790051
_cell_angle_beta 90.00000283
_cell_angle_gamma 60.62240100999999
_spa... |
MoveSelectedAtomsAction | 0257db99-cf23-449e-b1d9-38c9c90a3969 | mp-1026930 | Move atoms at indices [11, 7, 10, 6, 5, 9, 1, 4, 2, 3] by [-2.434 1.602 2.033] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2MoW3Se2S4
_chemical_formula_sum "Te2 Mo1 W3 Se2 S4"
_cell_length_a 3.3083593
_cell_length_b 3.3083593000000002
_cell_length_c 37.684738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998606000001
_space_gro... | data_image0
_chemical_formula_structural Te2MoW3Se2S4
_chemical_formula_sum "Te2 Mo1 W3 Se2 S4"
_cell_length_a 3.3083593
_cell_length_b 3.3083593000000002
_cell_length_c 37.684738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998606000001
_space_gro... |
MoveSelectedAtomsAction | c4dd0835-18ef-449b-bef6-69b2bc28f4cb | mp-756031 | Move atoms at indices [3, 1, 20, 0, 21, 8, 16, 9, 19] by [-3.812 0.321 -1.965] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co4O2F12
_chemical_formula_sum "Li4 Co4 O2 F12"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.71241352999999
_sp... | data_image0
_chemical_formula_structural Li4Co4O2F12
_chemical_formula_sum "Li4 Co4 O2 F12"
_cell_length_a 5.33574
_cell_length_b 6.683689180000001
_cell_length_c 8.37365361
_cell_angle_alpha 71.21634546
_cell_angle_beta 74.80933337
_cell_angle_gamma 82.71241352999999
_sp... |
MoveSelectedAtomsAction | 42177b53-e954-43c2-92d0-69cb00d0927b | mp-9619 | Move atoms at indices [12, 9, 11, 4, 3, 7, 14, 0, 8, 1, 15, 5, 6, 10, 16, 2] by [ 1.725 -0.845 0.719] angstrom in the cif file. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... |
MoveSelectedAtomsAction | 9825bfbe-10e1-4863-9cb9-f59819308de2 | mp-2228606 | Move atoms at indices [9, 2, 7, 13, 1, 6, 5, 10, 12, 8, 11, 4, 0, 3] by [-0.725 -1.576 3.66 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2LaMgCu3O7
_chemical_formula_sum "Ba2 La1 Mg1 Cu3 O7"
_cell_length_a 3.79504055
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2LaMgCu3O7
_chemical_formula_sum "Ba2 La1 Mg1 Cu3 O7"
_cell_length_a 3.79504055
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | ba0efed5-f631-461c-b598-ff7031f0ad24 | mp-1223453 | Move atoms at indices [9, 1, 2] by [0.1 1.986 0.2 ] angstrom in the cif file. | data_image0
_chemical_formula_structural La2Ga5Au3
_chemical_formula_sum "La2 Ga5 Au3"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural La2Ga5Au3
_chemical_formula_sum "La2 Ga5 Au3"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
MoveSelectedAtomsAction | 1416c1ef-d5cf-4ce3-b56f-e7d2b0071925 | mp-624221 | Move atoms at indices [12, 6, 13, 2, 4, 14, 15, 10, 11, 5, 9, 1, 3, 0] by [-0.88 3.012 -2.998] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge6Rh10
_chemical_formula_sum "Ge6 Rh10"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge6Rh10
_chemical_formula_sum "Ge6 Rh10"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 2bc81973-9106-41fe-8ad2-9794a354897b | mp-771174 | Move atoms at indices [8, 7, 17, 2, 31, 3, 27, 32, 5, 24, 21, 14, 16, 4, 12, 13, 29, 30, 6, 23, 18, 35] by [ 0.125 -2.509 0.799] 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 | 52d76f5d-ef8d-4180-83c4-5a1b61ddf44e | mp-1214515 | Move atoms at indices [44, 4, 35, 30, 34, 12, 28, 40, 7, 49, 14, 31, 17, 16, 9, 37, 26] by [ 0.877 -0.023 -1.152] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba12Tm4Al8O30
_chemical_formula_sum "Ba12 Tm4 Al8 O30"
_cell_length_a 5.929251
_cell_length_b 7.914349
_cell_length_c 18.43934658
_cell_angle_alpha 88.44465196
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba12Tm4Al8O30
_chemical_formula_sum "Ba12 Tm4 Al8 O30"
_cell_length_a 5.929251
_cell_length_b 7.914349
_cell_length_c 18.43934658
_cell_angle_alpha 88.44465196
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | d9e51a04-0484-4830-8e5d-e7f8dbc9ecfe | mp-27271 | Move atoms at indices [37, 23, 3, 30, 19, 1, 36, 15] by [4.303 0.264 0.127] angstrom in the cif file. | data_image0
_chemical_formula_structural Tl16Ge10O28
_chemical_formula_sum "Tl16 Ge10 O28"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma 38.3... | data_image0
_chemical_formula_structural Tl16Ge10O28
_chemical_formula_sum "Tl16 Ge10 O28"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma 38.3... |
MoveSelectedAtomsAction | 107fb0d1-2f1a-4650-a1a3-0aa600a6af00 | mp-1079670 | Move atoms at indices [8, 2, 0, 3, 7, 6] by [-2.745 0.337 1.636] angstrom in the cif file. | data_image0
_chemical_formula_structural TmSbPb2O6
_chemical_formula_sum "Tm1 Sb1 Pb2 O6"
_cell_length_a 5.86582045
_cell_length_b 5.86582045
_cell_length_c 5.912130119999999
_cell_angle_alpha 90.56522585999998
_cell_angle_beta 119.42116751000002
_cell_angle_gamma 119.6666... | data_image0
_chemical_formula_structural TmSbPb2O6
_chemical_formula_sum "Tm1 Sb1 Pb2 O6"
_cell_length_a 5.86582045
_cell_length_b 5.86582045
_cell_length_c 5.912130119999999
_cell_angle_alpha 90.56522585999998
_cell_angle_beta 119.42116751000002
_cell_angle_gamma 119.6666... |
MoveSelectedAtomsAction | 4db0695e-760f-48b4-a5b9-dcf408c9e9ec | mp-753525 | Move atoms at indices [11, 17, 3] by [-3.352 2.152 -1.292] angstrom in the cif file. | data_image0
_chemical_formula_structural V4O4F12
_chemical_formula_sum "V4 O4 F12"
_cell_length_a 5.35979
_cell_length_b 5.35979
_cell_length_c 9.21233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural V4O4F12
_chemical_formula_sum "V4 O4 F12"
_cell_length_a 5.35979
_cell_length_b 5.35979
_cell_length_c 9.21233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... |
MoveSelectedAtomsAction | 11d75625-6ed7-4780-8846-6e122011ccf4 | mp-753610 | Move atoms at indices [3, 6, 5, 11, 2, 9, 10, 8, 0, 4, 7] by [-0.121 -1.417 1.518] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 11.45684617
_cell_length_b 11.45684617
_cell_length_c 8.300787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.20882434999996
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | dd1555cc-586f-4128-97b0-5f2ee13c62e7 | mp-30276 | Move atoms at indices [5, 25, 24, 34, 26, 1, 17, 23, 11, 27, 16, 20, 28, 30, 33, 8, 14, 9, 18, 15, 13, 3, 32, 37, 19, 35, 21, 36] by [-4.038 2.503 0.143] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce20Ga10Cl8
_chemical_formula_sum "Ce20 Ga10 Cl8"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467470000... | data_image0
_chemical_formula_structural Ce20Ga10Cl8
_chemical_formula_sum "Ce20 Ga10 Cl8"
_cell_length_a 16.57767287
_cell_length_b 16.577672870000004
_cell_length_c 16.57767287
_cell_angle_alpha 152.84439716
_cell_angle_beta 152.84439716
_cell_angle_gamma 38.781467470000... |
MoveSelectedAtomsAction | 8c74cb49-2124-4c06-a433-94764955d20e | mp-887412 | Move atoms at indices [42, 19, 1, 41, 64, 54, 59, 33, 16, 39, 75, 72, 27, 49, 32, 71, 51, 30, 10, 12, 23, 20, 47, 68, 76, 21, 61, 11, 43, 5] by [-0.541 0.081 -0.339] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
_spac... | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
_spac... |
MoveSelectedAtomsAction | 1b4a084d-4db0-407a-881a-4b9e8cae1fc8 | mp-6268 | Move atoms at indices [30, 53, 11] by [-1.098 0.236 0.924] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Ti8P8O40
_chemical_formula_sum "K8 Ti8 P8 O40"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_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 K8Ti8P8O40
_chemical_formula_sum "K8 Ti8 P8 O40"
_cell_length_a 6.40239156
_cell_length_b 10.55570413
_cell_length_c 12.79900886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 146afcd7-5297-454a-8872-78c2a53abdd6 | mp-756993 | Move atoms at indices [19, 12, 8, 11, 15, 1, 6, 0, 17, 22] by [ 1.927 -2.487 0.917] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... |
MoveSelectedAtomsAction | 037f3b5d-015e-4a15-834f-259be4c49b35 | mp-1074681 | Move atoms at indices [11, 8, 9, 10, 4, 1, 3, 5] by [ 1.145 -0.798 2.466] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.93236
_cell_length_b 5.96547598
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle_gamma 60.56001291999999
_space_group_name... | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.93236
_cell_length_b 5.96547598
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle_gamma 60.56001291999999
_space_group_name... |
MoveSelectedAtomsAction | 9c7e3a8c-04de-4862-a806-4e58664b221c | mp-1329603 | Move atoms at indices [8, 24, 29, 23, 15, 60, 13, 30, 27, 41, 42, 68, 62, 19, 22, 67, 2, 58, 32, 45, 6, 38, 43, 35, 3, 63, 28, 61, 10, 65, 18, 1, 37, 59, 11, 21, 31, 55, 39, 36, 20, 34, 4, 16, 33, 5, 0, 54, 44, 66, 69, 17, 26, 50, 25, 64, 40, 48, 56, 49, 52, 12] by [-2.363 0.044 -3.058] angstrom in the cif file. | data_image0
_chemical_formula_structural Co25Ru5O40
_chemical_formula_sum "Co25 Ru5 O40"
_cell_length_a 5.973115
_cell_length_b 6.03675527
_cell_length_c 24.66371742
_cell_angle_alpha 96.50873011000002
_cell_angle_beta 89.95766884
_cell_angle_gamma 119.43259165
_space_gro... | data_image0
_chemical_formula_structural Co25Ru5O40
_chemical_formula_sum "Co25 Ru5 O40"
_cell_length_a 5.973115
_cell_length_b 6.03675527
_cell_length_c 24.66371742
_cell_angle_alpha 96.50873011000002
_cell_angle_beta 89.95766884
_cell_angle_gamma 119.43259165
_space_gro... |
MoveSelectedAtomsAction | 8cdc0a4c-1178-4567-910b-fd4bf088f785 | mp-1214345 | Move atoms at indices [1, 19, 11, 30, 14, 16, 33, 22, 18, 3, 6, 26, 35, 34, 21, 8, 0, 31, 15, 29, 9, 13, 24, 23, 28, 5, 2, 10, 27, 32] by [ 1.879 -1.822 1.071] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Si24Pt10
_chemical_formula_sum "Ba2 Si24 Pt10"
_cell_length_a 16.58533801
_cell_length_b 16.58533801
_cell_length_c 6.1212748900000005
_cell_angle_alpha 89.96243284
_cell_angle_beta 89.96243284
_cell_angle_gamma 158.6566667499999... | data_image0
_chemical_formula_structural Ba2Si24Pt10
_chemical_formula_sum "Ba2 Si24 Pt10"
_cell_length_a 16.58533801
_cell_length_b 16.58533801
_cell_length_c 6.1212748900000005
_cell_angle_alpha 89.96243284
_cell_angle_beta 89.96243284
_cell_angle_gamma 158.6566667499999... |
MoveSelectedAtomsAction | e419ac6b-435d-4017-aa9d-b07f8f0beccd | mp-1195020 | Move atoms at indices [33, 31, 28, 15] by [0.253 0.7 3.377] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4Tl4P8Se24
_chemical_formula_sum "Pr4 Tl4 P8 Se24"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr4Tl4P8Se24
_chemical_formula_sum "Pr4 Tl4 P8 Se24"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 9acefdf1-1f7b-4111-8e56-6d1e6b173923 | mp-4068 | Move atoms at indices [8, 6, 10, 21, 20, 4, 11, 22, 16, 1, 18, 2, 12, 19, 3, 23, 17, 5] by [-1.78 -0.584 2.719] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Ge4S12
_chemical_formula_sum "Na8 Ge4 S12"
_cell_length_a 15.32306115
_cell_length_b 5.81126591
_cell_length_c 6.86534521
_cell_angle_alpha 66.31847418
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na8Ge4S12
_chemical_formula_sum "Na8 Ge4 S12"
_cell_length_a 15.32306115
_cell_length_b 5.81126591
_cell_length_c 6.86534521
_cell_angle_alpha 66.31847418
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 34c175a0-39b9-4a08-a36b-8f333f29b2ce | mp-17827 | Move atoms at indices [14, 13] by [-0.293 2.864 -0.953] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd6Si2Ag2Se14
_chemical_formula_sum "Nd6 Si2 Ag2 Se14"
_cell_length_a 10.7664337
_cell_length_b 10.7664337
_cell_length_c 6.075528
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999813
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Nd6Si2Ag2Se14
_chemical_formula_sum "Nd6 Si2 Ag2 Se14"
_cell_length_a 10.7664337
_cell_length_b 10.7664337
_cell_length_c 6.075528
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999813
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 7e55dc50-3f20-4ae9-bf46-4fd4b45d371a | mp-772788 | Move atoms at indices [5, 16, 6, 8, 15, 27, 23, 22, 11, 24, 1, 32, 7, 9, 29, 18, 21, 14, 28, 33, 25, 34, 17, 19, 26, 30, 0, 2, 10, 20, 13, 3, 35, 12, 4] by [ 0.492 -1.14 0.247] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Cu8O20
_chemical_formula_sum "Ba8 Cu8 O20"
_cell_length_a 4.14542501
_cell_length_b 10.68465801
_cell_length_c 13.96996051
_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 Ba8Cu8O20
_chemical_formula_sum "Ba8 Cu8 O20"
_cell_length_a 4.14542501
_cell_length_b 10.68465801
_cell_length_c 13.96996051
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
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