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 | c726d5b6-a124-4993-95de-76d41dd6c488 | mp-1224477 | Move atoms at indices [16, 4, 6, 18, 19, 14, 3, 7, 15, 9, 8, 5, 17, 10, 13, 12] by [-1.038 -2.673 -1.721] angstrom in the cif file. | data_image0
_chemical_formula_structural H11IN2O6
_chemical_formula_sum "H11 I1 N2 O6"
_cell_length_a 5.540447
_cell_length_b 5.54602506
_cell_length_c 5.55388201
_cell_angle_alpha 77.76500148
_cell_angle_beta 77.61327356
_cell_angle_gamma 77.87890795
_space_group_name_H-... | data_image0
_chemical_formula_structural H11IN2O6
_chemical_formula_sum "H11 I1 N2 O6"
_cell_length_a 5.540447
_cell_length_b 5.54602506
_cell_length_c 5.55388201
_cell_angle_alpha 77.76500148
_cell_angle_beta 77.61327356
_cell_angle_gamma 77.87890795
_space_group_name_H-... |
MoveSelectedAtomsAction | e8ab1b6c-0e56-4989-a677-10cc2c4c5f07 | mp-2230319 | Move atoms at indices [16, 18, 14, 6, 12, 15, 4] by [-3.078 -3.581 -0.055] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.04393797
_cell_length_b 14.3697501
_cell_length_c 3.088218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 88.21357987
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.04393797
_cell_length_b 14.3697501
_cell_length_c 3.088218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 88.21357987
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | eee10348-ff18-4a7e-9254-fcb1c7594b4a | mp-1198979 | Move atoms at indices [9, 29, 23, 0, 21, 26, 36, 11, 17, 25, 27, 12, 16, 7, 6, 34, 10, 3, 19, 28, 1, 8, 13, 38, 14, 4, 5, 37, 2, 20, 33, 32] by [-0.795 6.407 0.775] angstrom in the cif file. | data_image0
_chemical_formula_structural K6Na14MgTl18
_chemical_formula_sum "K6 Na14 Mg1 Tl18"
_cell_length_a 10.60143563
_cell_length_b 10.60143563
_cell_length_c 10.60143563
_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 K6Na14MgTl18
_chemical_formula_sum "K6 Na14 Mg1 Tl18"
_cell_length_a 10.60143563
_cell_length_b 10.60143563
_cell_length_c 10.60143563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 9e22ecea-66ac-4e88-85f9-47f7f23998c4 | mp-557992 | Move atoms at indices [8, 21, 15, 3] by [ 2.724 1.906 -3.283] angstrom in the cif file. | data_image0
_chemical_formula_structural In4Te4Cl4O12
_chemical_formula_sum "In4 Te4 Cl4 O12"
_cell_length_a 7.031733
_cell_length_b 7.196003
_cell_length_c 8.64328525
_cell_angle_alpha 77.23700394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural In4Te4Cl4O12
_chemical_formula_sum "In4 Te4 Cl4 O12"
_cell_length_a 7.031733
_cell_length_b 7.196003
_cell_length_c 8.64328525
_cell_angle_alpha 77.23700394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 388ce479-d4a9-4497-865d-2526ea905e46 | mp-758446 | Move atoms at indices [32, 13, 21, 27, 11, 14, 12, 16, 34, 48, 50, 51, 9, 25, 20, 35, 22, 23, 15, 47, 43, 24, 4, 45, 40, 2, 3, 31, 17, 28, 30, 49, 7, 39, 38, 0, 5, 10, 29, 18, 37, 26, 8, 33, 36, 6, 19, 42] by [-1.117 2.172 0.062] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V8C8O32
_chemical_formula_sum "Li4 V8 C8 O32"
_cell_length_a 9.469308
_cell_length_b 6.287829
_cell_length_c 11.24251521
_cell_angle_alpha 56.8776801
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Li4V8C8O32
_chemical_formula_sum "Li4 V8 C8 O32"
_cell_length_a 9.469308
_cell_length_b 6.287829
_cell_length_c 11.24251521
_cell_angle_alpha 56.8776801
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 908c2b3a-d853-4f84-bcb4-b019807341b4 | mp-1236280 | Move atoms at indices [14, 3, 18, 8, 1, 7, 2, 0, 4, 20] by [ 3.04 0.482 -0.436] angstrom in the cif file. | data_image0
_chemical_formula_structural LiCd4Tc4O12
_chemical_formula_sum "Li1 Cd4 Tc4 O12"
_cell_length_a 5.52414711
_cell_length_b 5.608893130000001
_cell_length_c 7.94369997
_cell_angle_alpha 91.11645933999999
_cell_angle_beta 87.9547835
_cell_angle_gamma 89.9784879199... | data_image0
_chemical_formula_structural LiCd4Tc4O12
_chemical_formula_sum "Li1 Cd4 Tc4 O12"
_cell_length_a 5.52414711
_cell_length_b 5.608893130000001
_cell_length_c 7.94369997
_cell_angle_alpha 91.11645933999999
_cell_angle_beta 87.9547835
_cell_angle_gamma 89.9784879199... |
MoveSelectedAtomsAction | 0ed0a358-a66c-46da-b243-d34b82540267 | mp-1040917 | Move atoms at indices [3, 50, 6, 4, 2, 51, 5] by [ 0.67 -4.141 1.601] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Fe8P8O32
_chemical_formula_sum "Ca4 Fe8 P8 O32"
_cell_length_a 9.10227172
_cell_length_b 9.10227172
_cell_length_c 16.95686224
_cell_angle_alpha 63.17755244
_cell_angle_beta 63.17755244
_cell_angle_gamma 32.23924191999999
_space... | data_image0
_chemical_formula_structural Ca4Fe8P8O32
_chemical_formula_sum "Ca4 Fe8 P8 O32"
_cell_length_a 9.10227172
_cell_length_b 9.10227172
_cell_length_c 16.95686224
_cell_angle_alpha 63.17755244
_cell_angle_beta 63.17755244
_cell_angle_gamma 32.23924191999999
_space... |
MoveSelectedAtomsAction | f7d25119-560f-44f3-ad68-249eda996c64 | mp-1180897 | Move atoms at indices [8, 1, 4, 10, 5] by [-0.45 -0.603 -1.108] angstrom in the cif file. | data_image0
_chemical_formula_structural K2PdN2Cl2O4
_chemical_formula_sum "K2 Pd1 N2 Cl2 O4"
_cell_length_a 4.732359
_cell_length_b 7.05971384
_cell_length_c 7.877666200000001
_cell_angle_alpha 67.3422171
_cell_angle_beta 75.08665789
_cell_angle_gamma 81.19090223
_space_... | data_image0
_chemical_formula_structural K2PdN2Cl2O4
_chemical_formula_sum "K2 Pd1 N2 Cl2 O4"
_cell_length_a 4.732359
_cell_length_b 7.05971384
_cell_length_c 7.877666200000001
_cell_angle_alpha 67.3422171
_cell_angle_beta 75.08665789
_cell_angle_gamma 81.19090223
_space_... |
MoveSelectedAtomsAction | 41828b27-9700-4512-b9b1-47377ae1b092 | mp-1290409 | Move atoms at indices [15, 6, 23, 12, 20, 19, 22, 16, 0] by [ 2.32 1.459 -0.675] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn6Sb2O16
_chemical_formula_sum "Li8 Mn6 Sb2 O16"
_cell_length_a 6.09914414
_cell_length_b 6.09721732
_cell_length_c 10.77720194
_cell_angle_alpha 90.38703345
_cell_angle_beta 72.8532928
_cell_angle_gamma 62.07008206999999
_spac... | data_image0
_chemical_formula_structural Li8Mn6Sb2O16
_chemical_formula_sum "Li8 Mn6 Sb2 O16"
_cell_length_a 6.09914414
_cell_length_b 6.09721732
_cell_length_c 10.77720194
_cell_angle_alpha 90.38703345
_cell_angle_beta 72.8532928
_cell_angle_gamma 62.07008206999999
_spac... |
MoveSelectedAtomsAction | 03ddf827-0eda-41f3-b997-f40466edd6fc | mp-1208402 | Move atoms at indices [15, 2, 13, 10, 1, 4, 12, 0] by [1.069 1.749 2.868] angstrom in the cif file. | data_image0
_chemical_formula_structural U2Pb2I12
_chemical_formula_sum "U2 Pb2 I12"
_cell_length_a 7.62870236
_cell_length_b 7.646974490000001
_cell_length_c 14.14774958
_cell_angle_alpha 90.02645336999998
_cell_angle_beta 89.93478277000001
_cell_angle_gamma 119.888295969... | data_image0
_chemical_formula_structural U2Pb2I12
_chemical_formula_sum "U2 Pb2 I12"
_cell_length_a 7.62870236
_cell_length_b 7.646974490000001
_cell_length_c 14.14774958
_cell_angle_alpha 90.02645336999998
_cell_angle_beta 89.93478277000001
_cell_angle_gamma 119.888295969... |
MoveSelectedAtomsAction | 8d8259d5-832a-41b2-bd3f-447ced9b1778 | mp-636946 | Move atoms at indices [7, 2, 21, 9, 4, 13, 0, 12, 1, 16, 20, 18, 8, 11, 17, 6, 15, 3, 10, 14, 5] by [1.675 1.775 0.805] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe12Ge10
_chemical_formula_sum "Fe12 Ge10"
_cell_length_a 6.30166754
_cell_length_b 6.30166754
_cell_length_c 7.797893349999999
_cell_angle_alpha 74.68624363
_cell_angle_beta 74.68624363
_cell_angle_gamma 76.65132412
_space_group_n... | data_image0
_chemical_formula_structural Fe12Ge10
_chemical_formula_sum "Fe12 Ge10"
_cell_length_a 6.30166754
_cell_length_b 6.30166754
_cell_length_c 7.797893349999999
_cell_angle_alpha 74.68624363
_cell_angle_beta 74.68624363
_cell_angle_gamma 76.65132412
_space_group_n... |
MoveSelectedAtomsAction | b98e3112-565a-4758-bb6c-5d43c6795752 | mp-1188515 | Move atoms at indices [8, 2, 6, 12, 15, 17, 3, 14, 13, 5, 7, 18, 11, 1, 0, 16, 10, 9, 4] by [-1.854 2.202 -1.701] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4In2Os2O12
_chemical_formula_sum "Ca4 In2 Os2 O12"
_cell_length_a 5.543428
_cell_length_b 5.75755
_cell_length_c 9.64876458
_cell_angle_alpha 90.0
_cell_angle_beta 124.4938725
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca4In2Os2O12
_chemical_formula_sum "Ca4 In2 Os2 O12"
_cell_length_a 5.543428
_cell_length_b 5.75755
_cell_length_c 9.64876458
_cell_angle_alpha 90.0
_cell_angle_beta 124.4938725
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 6043118d-0bf4-474a-94db-f8e486b4a103 | mp-1232328 | Move atoms at indices [13, 3, 5, 7, 8, 14, 15, 2, 10, 6] by [-0.155 6.415 -1.339] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu3Sb4O6F6
_chemical_formula_sum "Cu3 Sb4 O6 F6"
_cell_length_a 7.0716257
_cell_length_b 7.0716257
_cell_length_c 7.0716257
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... | data_image0
_chemical_formula_structural Cu3Sb4O6F6
_chemical_formula_sum "Cu3 Sb4 O6 F6"
_cell_length_a 7.0716257
_cell_length_b 7.0716257
_cell_length_c 7.0716257
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... |
MoveSelectedAtomsAction | cc54b049-f542-48fc-a3d6-8a3b8fe174f9 | mp-1225817 | Move atoms at indices [7, 0] by [2.049 0.967 0.013] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy2Fe4Co4B2
_chemical_formula_sum "Dy2 Fe4 Co4 B2"
_cell_length_a 5.06930308
_cell_length_b 5.04179819
_cell_length_c 6.84308372
_cell_angle_alpha 89.99078127
_cell_angle_beta 90.04833519999998
_cell_angle_gamma 119.85780878999999
... | data_image0
_chemical_formula_structural Dy2Fe4Co4B2
_chemical_formula_sum "Dy2 Fe4 Co4 B2"
_cell_length_a 5.06930308
_cell_length_b 5.04179819
_cell_length_c 6.84308372
_cell_angle_alpha 89.99078127
_cell_angle_beta 90.04833519999998
_cell_angle_gamma 119.85780878999999
... |
MoveSelectedAtomsAction | a3a6b30f-741f-42e8-b21e-6a82378d1378 | mp-4647 | Move atoms at indices [11, 3, 4, 13, 14, 6, 2] by [ 1.248 -0.866 -0.303] angstrom in the cif file. | data_image0
_chemical_formula_structural K3Cu8Se6
_chemical_formula_sum "K3 Cu8 Se6"
_cell_length_a 9.22750883
_cell_length_b 9.22750883
_cell_length_c 10.12313235
_cell_angle_alpha 75.13046743
_cell_angle_beta 75.13046743
_cell_angle_gamma 24.949460250000026
_space_group... | data_image0
_chemical_formula_structural K3Cu8Se6
_chemical_formula_sum "K3 Cu8 Se6"
_cell_length_a 9.22750883
_cell_length_b 9.22750883
_cell_length_c 10.12313235
_cell_angle_alpha 75.13046743
_cell_angle_beta 75.13046743
_cell_angle_gamma 24.949460250000026
_space_group... |
MoveSelectedAtomsAction | fe4c9a03-f5c2-4721-9fde-f3f8f3daf5a6 | mp-1026788 | Move atoms at indices [7, 4, 9, 8, 14] by [-1.049 0.366 -2.441] angstrom in the cif file. | data_image0
_chemical_formula_structural LaMg14Ga
_chemical_formula_sum "La1 Mg14 Ga1"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 10.3752619
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LaMg14Ga
_chemical_formula_sum "La1 Mg14 Ga1"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 10.3752619
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 25f0af55-704c-4717-8d3f-c40f20877e84 | mp-1106174 | Move atoms at indices [2, 17, 8, 10, 13, 7] by [ 2.896 -5.124 -1.95 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb14Rh6
_chemical_formula_sum "Tb14 Rh6"
_cell_length_a 6.19766051
_cell_length_b 9.79902498
_cell_length_c 9.798996650000001
_cell_angle_alpha 120.00022491999995
_cell_angle_beta 90.00107083000002
_cell_angle_gamma 90.00095888
_sp... | data_image0
_chemical_formula_structural Tb14Rh6
_chemical_formula_sum "Tb14 Rh6"
_cell_length_a 6.19766051
_cell_length_b 9.79902498
_cell_length_c 9.798996650000001
_cell_angle_alpha 120.00022491999995
_cell_angle_beta 90.00107083000002
_cell_angle_gamma 90.00095888
_sp... |
MoveSelectedAtomsAction | 7c159b99-e45f-405f-bb41-7b8b0a73f624 | mp-666156 | Move atoms at indices [24, 17, 27, 0, 26, 5, 29, 3] by [-1.124 -1.321 -1.677] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Te8O18
_chemical_formula_sum "Na4 Te8 O18"
_cell_length_a 7.007354
_cell_length_b 7.49488785
_cell_length_c 10.77485356
_cell_angle_alpha 109.56126807
_cell_angle_beta 91.05942188000002
_cell_angle_gamma 109.51584756
_space_grou... | data_image0
_chemical_formula_structural Na4Te8O18
_chemical_formula_sum "Na4 Te8 O18"
_cell_length_a 7.007354
_cell_length_b 7.49488785
_cell_length_c 10.77485356
_cell_angle_alpha 109.56126807
_cell_angle_beta 91.05942188000002
_cell_angle_gamma 109.51584756
_space_grou... |
MoveSelectedAtomsAction | 2bfedf75-474c-4881-905c-d85e71b2eaa4 | mp-1220577 | Move atoms at indices [2, 15, 18, 12, 1, 21, 13, 14, 8, 16, 11, 5, 10, 7] by [-2.452 0.41 2.311] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd3GdZr4O14
_chemical_formula_sum "Nd3 Gd1 Zr4 O14"
_cell_length_a 7.53064465
_cell_length_b 7.53064465
_cell_length_c 7.53064416
_cell_angle_alpha 59.75301876
_cell_angle_beta 59.75301876
_cell_angle_gamma 59.7530154
_space_group_... | data_image0
_chemical_formula_structural Nd3GdZr4O14
_chemical_formula_sum "Nd3 Gd1 Zr4 O14"
_cell_length_a 7.53064465
_cell_length_b 7.53064465
_cell_length_c 7.53064416
_cell_angle_alpha 59.75301876
_cell_angle_beta 59.75301876
_cell_angle_gamma 59.7530154
_space_group_... |
MoveSelectedAtomsAction | e4948070-e375-4c91-ac2e-dcb8114261ec | mp-1102378 | Move atoms at indices [2, 7] by [-1.091 0.455 -3.401] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Re8
_chemical_formula_sum "Nd4 Re8"
_cell_length_a 5.50780632
_cell_length_b 5.50780632
_cell_length_c 8.90484191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001918
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Nd4Re8
_chemical_formula_sum "Nd4 Re8"
_cell_length_a 5.50780632
_cell_length_b 5.50780632
_cell_length_c 8.90484191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001918
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | 3700a838-97f2-483f-b92c-8edd643dfac7 | mp-1214455 | Move atoms at indices [19, 34, 46, 21, 33, 17, 37, 27, 29, 1, 26, 47, 3, 32] by [-2.165 -2.531 -1.985] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Fe8Si8O28
_chemical_formula_sum "Ba4 Fe8 Si8 O28"
_cell_length_a 14.016061
_cell_length_b 7.209923
_cell_length_c 7.607207749999999
_cell_angle_alpha 61.73702037999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ba4Fe8Si8O28
_chemical_formula_sum "Ba4 Fe8 Si8 O28"
_cell_length_a 14.016061
_cell_length_b 7.209923
_cell_length_c 7.607207749999999
_cell_angle_alpha 61.73702037999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
MoveSelectedAtomsAction | faed8030-75f9-457c-af6e-01a904459118 | mp-1245786 | Move atoms at indices [16, 34, 28, 19, 30, 8, 35, 1, 33, 31, 9, 2, 14, 12, 29, 15, 32, 20, 27, 6, 22, 5, 24, 10, 3, 0, 26, 7, 11, 4, 13, 23, 18, 21] by [ 1.159 -1.055 -0.332] angstrom in the cif file. | data_image0
_chemical_formula_structural In12Ga8N16
_chemical_formula_sum "In12 Ga8 N16"
_cell_length_a 6.338033
_cell_length_b 10.699933
_cell_length_c 8.523877
_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 In12Ga8N16
_chemical_formula_sum "In12 Ga8 N16"
_cell_length_a 6.338033
_cell_length_b 10.699933
_cell_length_c 8.523877
_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 | b71844fb-46ef-42de-a390-695a8d81d032 | mp-772276 | Move atoms at indices [24, 9, 8, 25, 21, 14, 22, 7, 0, 15, 3, 27, 12, 20, 26, 18, 6, 19, 4, 11, 1, 16, 5] by [1.829 2.713 0.816] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4P4O20
_chemical_formula_sum "Cr4 P4 O20"
_cell_length_a 5.180952
_cell_length_b 8.38677856
_cell_length_c 9.309508530000002
_cell_angle_alpha 102.25086210999999
_cell_angle_beta 104.36657557999999
_cell_angle_gamma 91.41059046
_... | data_image0
_chemical_formula_structural Cr4P4O20
_chemical_formula_sum "Cr4 P4 O20"
_cell_length_a 5.180952
_cell_length_b 8.38677856
_cell_length_c 9.309508530000002
_cell_angle_alpha 102.25086210999999
_cell_angle_beta 104.36657557999999
_cell_angle_gamma 91.41059046
_... |
MoveSelectedAtomsAction | b244cc98-dd15-4415-888f-4e45b351cb49 | mp-1214285 | Move atoms at indices [21, 18, 34, 23, 44, 31, 7, 3, 11, 32, 57, 39, 36, 43, 15, 46, 58, 9, 38, 29, 25, 40, 56, 63, 52, 22, 45, 30, 35, 41, 5, 0, 14, 47, 4, 55, 2, 8] by [ 2.996 0.177 -1.656] 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"
... |
MoveSelectedAtomsAction | afeea4f5-411c-4635-8bd2-97c5ae6045b1 | mp-615141 | Move atoms at indices [9, 13] by [-2.205 6.681 2.206] angstrom in the cif file. | data_image0
_chemical_formula_structural Pb2Cl4O8
_chemical_formula_sum "Pb2 Cl4 O8"
_cell_length_a 7.15446275
_cell_length_b 7.1544627499999995
_cell_length_c 6.113388
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.35804315
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pb2Cl4O8
_chemical_formula_sum "Pb2 Cl4 O8"
_cell_length_a 7.15446275
_cell_length_b 7.1544627499999995
_cell_length_c 6.113388
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.35804315
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 30fb59cc-7f3e-4e3e-ab2f-f03ea387508d | mp-1346690 | Move atoms at indices [4, 6, 16, 8] by [-0.268 0.613 -1.508] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.72597
_cell_length_b 7.04770682
_cell_length_c 7.12831135
_cell_angle_alpha 75.45766706
_cell_angle_beta 63.34739348
_cell_angle_gamma 80.09216731
_space_group_nam... | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.72597
_cell_length_b 7.04770682
_cell_length_c 7.12831135
_cell_angle_alpha 75.45766706
_cell_angle_beta 63.34739348
_cell_angle_gamma 80.09216731
_space_group_nam... |
MoveSelectedAtomsAction | 9dfc357c-fc0d-41bf-a5a1-6e6136870b53 | mp-755554 | Move atoms at indices [6, 4, 2, 1, 9, 8, 10] by [-0.286 -0.595 0.231] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 4.58985747
_cell_length_b 5.536503
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 4.58985747
_cell_length_b 5.536503
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | f5f5eddd-2369-4253-ad25-804c65a68428 | mp-555706 | Move atoms at indices [19, 32, 15, 25, 16, 38, 7, 24, 39, 20, 5, 13, 12, 1, 36, 31, 29, 17, 27, 0, 30, 26, 3, 6, 23, 22, 8, 28, 37, 10, 2, 33] by [-1.277 -1.64 -0.571] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Al4Si4H8O20
_chemical_formula_sum "Li4 Al4 Si4 H8 O20"
_cell_length_a 4.796556
_cell_length_b 9.028016
_cell_length_c 11.744496
_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 Li4Al4Si4H8O20
_chemical_formula_sum "Li4 Al4 Si4 H8 O20"
_cell_length_a 4.796556
_cell_length_b 9.028016
_cell_length_c 11.744496
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 7e9362e4-8813-4584-a24e-feab574930e0 | mp-1522321 | Move atoms at indices [36, 12, 29, 1, 23, 15, 5, 13, 30, 8, 7, 10, 11] by [ 0.049 -1.048 -1.056] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Sr4Ce4Sb4O24
_chemical_formula_sum "K4 Sr4 Ce4 Sb4 O24"
_cell_length_a 8.47630223
_cell_length_b 8.4464501
_cell_length_c 8.4381874
_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 K4Sr4Ce4Sb4O24
_chemical_formula_sum "K4 Sr4 Ce4 Sb4 O24"
_cell_length_a 8.47630223
_cell_length_b 8.4464501
_cell_length_c 8.4381874
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 775cfd2a-b098-4716-99bb-3155cb9d2e27 | mp-770944 | Move atoms at indices [7, 1, 39, 0, 43, 34, 50, 37, 17, 11, 2, 24, 15, 45, 51, 30, 33, 12, 49, 5, 46] by [-1.905 -1.281 -1.332] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co4C8S2O32
_chemical_formula_sum "Li8 Co4 C8 S2 O32"
_cell_length_a 9.145502
_cell_length_b 9.15633002
_cell_length_c 9.24263428
_cell_angle_alpha 118.92522838999999
_cell_angle_beta 118.89628031
_cell_angle_gamma 91.29093861
_s... | data_image0
_chemical_formula_structural Li8Co4C8S2O32
_chemical_formula_sum "Li8 Co4 C8 S2 O32"
_cell_length_a 9.145502
_cell_length_b 9.15633002
_cell_length_c 9.24263428
_cell_angle_alpha 118.92522838999999
_cell_angle_beta 118.89628031
_cell_angle_gamma 91.29093861
_s... |
MoveSelectedAtomsAction | 5c919f83-4226-4d6b-a898-f319620dd408 | mp-1036398 | Move atoms at indices [4, 15, 2, 6, 28, 18, 31, 3, 1, 10, 13, 22, 25, 9, 24, 19, 11, 7, 27] by [-3.609 -2.478 0.812] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14AlBO16
_chemical_formula_sum "Mg14 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_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 Mg14AlBO16
_chemical_formula_sum "Mg14 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | e2acf706-c576-4f99-991f-a69e2849dc38 | mp-758607 | Move atoms at indices [19, 6, 17, 5, 24] by [ 1.88 2.062 -3.164] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co4Si4O16
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 4.930845
_cell_length_b 6.860282
_cell_length_c 9.684071
_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 Li4Co4Si4O16
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 4.930845
_cell_length_b 6.860282
_cell_length_c 9.684071
_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 | 77837fb9-f327-45b1-99d0-5388208be4e3 | mp-775316 | Move atoms at indices [13, 34, 40, 5, 0, 42, 51, 37, 1, 7, 22, 10, 47, 36, 14, 52, 2, 19, 41, 28, 39, 54, 17, 26, 8, 15, 31, 27, 29, 45, 3, 46, 16, 53, 21, 20, 6, 18, 12, 4, 43, 55, 33, 25, 44, 24, 9, 11, 38, 50, 49, 35, 23, 32, 48, 30] by [ 0.237 -2.201 -0.676] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Fe12O32
_chemical_formula_sum "Li8 Ti4 Fe12 O32"
_cell_length_a 8.397925
_cell_length_b 8.40734447
_cell_length_c 8.612380319999998
_cell_angle_alpha 90.06248353
_cell_angle_beta 90.01226097
_cell_angle_gamma 90.14909803
_spa... | data_image0
_chemical_formula_structural Li8Ti4Fe12O32
_chemical_formula_sum "Li8 Ti4 Fe12 O32"
_cell_length_a 8.397925
_cell_length_b 8.40734447
_cell_length_c 8.612380319999998
_cell_angle_alpha 90.06248353
_cell_angle_beta 90.01226097
_cell_angle_gamma 90.14909803
_spa... |
MoveSelectedAtomsAction | 11b5198b-b978-43f9-b435-714100fffce6 | mp-558350 | Move atoms at indices [3, 35, 54, 33, 7, 16, 10, 52, 48, 19, 36, 8, 21, 18, 25, 55, 41, 22, 5, 26, 63, 2, 20, 62, 50, 6, 49, 1, 47, 34, 61, 12, 56, 45, 24, 59, 46, 60, 37, 28] by [-4.237 -3.07 -0.891] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn16Te8Br16O24
_chemical_formula_sum "Zn16 Te8 Br16 O24"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zn16Te8Br16O24
_chemical_formula_sum "Zn16 Te8 Br16 O24"
_cell_length_a 7.830681
_cell_length_b 10.749647
_cell_length_c 16.485903
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | a935bc69-ca77-4a3b-9e42-ea1aef0848d9 | mp-2230319 | Move atoms at indices [3] by [-3.508 0.777 0.107] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.04393797
_cell_length_b 14.3697501
_cell_length_c 3.088218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 88.21357987
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.04393797
_cell_length_b 14.3697501
_cell_length_c 3.088218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 88.21357987
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | c59ca025-2755-4335-816d-7011e19eb216 | mp-728512 | Move atoms at indices [59, 40, 3, 69, 66, 25, 48, 77, 39, 12, 8, 74, 34, 22, 43, 44, 70, 52, 2, 10, 15, 64, 45, 17, 33, 67, 61, 19, 16, 11, 21, 50, 63, 72, 47, 62, 46, 35, 41, 28, 18, 58] by [-1.749 1.144 2.05 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Ce4Ti2Si8B8O48
_chemical_formula_sum "Ca8 Ce4 Ti2 Si8 B8 O48"
_cell_length_a 4.8078
_cell_length_b 10.367604
_cell_length_c 19.06387455
_cell_angle_alpha 68.01810942
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ca8Ce4Ti2Si8B8O48
_chemical_formula_sum "Ca8 Ce4 Ti2 Si8 B8 O48"
_cell_length_a 4.8078
_cell_length_b 10.367604
_cell_length_c 19.06387455
_cell_angle_alpha 68.01810942
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
MoveSelectedAtomsAction | 3f1e31e7-4238-4e45-a94d-6286962dca93 | mp-1105449 | Move atoms at indices [1, 5, 10, 6, 2] by [ 2.189 -2.268 2.356] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 42f88768-83ee-4711-b036-1c9e52b506ad | mp-608551 | Move atoms at indices [11, 7, 15, 17, 12, 10, 18, 1, 6, 0, 16, 4, 2, 8, 21] by [ 1.951 -2.179 2.1 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_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 Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_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 | d5c47b81-ea10-4636-aa00-7b7a21308a5a | mp-1176688 | Move atoms at indices [76, 26, 61, 8, 63, 48, 79, 67, 38, 16, 7, 1, 31, 40, 14, 15, 73, 36, 45, 5, 82, 21, 71, 54, 37, 25, 27, 70, 62, 72, 50, 3, 69, 34, 29, 0, 66, 42, 57, 13, 68, 83, 60, 52, 28, 9, 11, 75, 59, 23, 56, 22, 65, 80, 77, 10, 35, 78, 41, 18] by [1.27 2.685 1.219] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Fe12Si12O48
_chemical_formula_sum "Li12 Fe12 Si12 O48"
_cell_length_a 5.485882
_cell_length_b 8.264865
_cell_length_c 18.762459
_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 Li12Fe12Si12O48
_chemical_formula_sum "Li12 Fe12 Si12 O48"
_cell_length_a 5.485882
_cell_length_b 8.264865
_cell_length_c 18.762459
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 8ac6cbf1-3991-4ccd-bf53-f06084cf46b0 | mp-30447 | Move atoms at indices [5, 11, 6, 25, 42, 21, 27, 22, 19, 8, 20, 10, 14, 9, 15, 26, 0, 29, 30, 40, 33, 39, 34, 1, 3, 36, 28, 23, 37, 32, 38, 12, 4] by [-4.824 1.726 1.871] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... |
MoveSelectedAtomsAction | 12482eca-0262-4b3d-84d4-053842e4d3e5 | mp-9511 | Move atoms at indices [12, 6, 9, 4, 15, 2, 10, 3, 5, 8, 1, 7, 14, 13] by [ 0.798 -0.426 -2.079] angstrom in the cif file. | data_image0
_chemical_formula_structural K4As2Au2S8
_chemical_formula_sum "K4 As2 Au2 S8"
_cell_length_a 6.93280871
_cell_length_b 6.61767417
_cell_length_c 9.58799398
_cell_angle_alpha 87.05264167
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4As2Au2S8
_chemical_formula_sum "K4 As2 Au2 S8"
_cell_length_a 6.93280871
_cell_length_b 6.61767417
_cell_length_c 9.58799398
_cell_angle_alpha 87.05264167
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | a8bac64f-7309-407d-bea5-a4502b5514a1 | mp-1048483 | Move atoms at indices [12, 4, 2, 0] by [-0.105 2.409 -0.66 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2AlNi3O7
_chemical_formula_sum "Ba2 Al1 Ni3 O7"
_cell_length_a 3.750112
_cell_length_b 3.911509
_cell_length_c 11.334825
_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 Ba2AlNi3O7
_chemical_formula_sum "Ba2 Al1 Ni3 O7"
_cell_length_a 3.750112
_cell_length_b 3.911509
_cell_length_c 11.334825
_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 | 6bd39798-44c9-4615-8317-87ecc847dbb2 | mp-756803 | Move atoms at indices [3, 14, 2, 5, 12, 15, 9, 1, 13, 7, 6, 11, 8] by [ 1.392 -0.783 4.389] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Fe4NiO8
_chemical_formula_sum "Li3 Fe4 Ni1 O8"
_cell_length_a 5.99879997
_cell_length_b 5.99879997
_cell_length_c 5.98749598
_cell_angle_alpha 60.26840743
_cell_angle_beta 60.26840743
_cell_angle_gamma 59.43487156
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe4NiO8
_chemical_formula_sum "Li3 Fe4 Ni1 O8"
_cell_length_a 5.99879997
_cell_length_b 5.99879997
_cell_length_c 5.98749598
_cell_angle_alpha 60.26840743
_cell_angle_beta 60.26840743
_cell_angle_gamma 59.43487156
_space_group_n... |
MoveSelectedAtomsAction | 8cbf0dfa-880b-47da-9ce8-46be5f00e30d | mp-758878 | Move atoms at indices [14, 12, 2, 11] by [-0.209 -3.409 -0.558] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... |
MoveSelectedAtomsAction | 468bcf1f-6806-40fc-af7e-5e0cf7d51bc3 | mp-1028212 | Move atoms at indices [5, 4, 8, 0, 2, 7] by [0.073 0.902 2.048] angstrom in the cif file. | data_image0
_chemical_formula_structural LaMg14Al
_chemical_formula_sum "La1 Mg14 Al1"
_cell_length_a 6.5266893
_cell_length_b 6.52668874
_cell_length_c 10.36455099
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000283999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural LaMg14Al
_chemical_formula_sum "La1 Mg14 Al1"
_cell_length_a 6.5266893
_cell_length_b 6.52668874
_cell_length_c 10.36455099
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000283999998
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | d5ab5559-d075-4716-bb84-38fadf19fb56 | mp-1205225 | Move atoms at indices [1, 53, 6, 25, 15, 14, 5, 34, 58, 48, 16, 54, 64, 24, 69, 71, 27, 28, 2, 43, 20] by [-2.059 2.814 0.454] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe6P12O54
_chemical_formula_sum "Fe6 P12 O54"
_cell_length_a 9.26045587
_cell_length_b 9.26045587
_cell_length_c 17.125258
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Fe6P12O54
_chemical_formula_sum "Fe6 P12 O54"
_cell_length_a 9.26045587
_cell_length_b 9.26045587
_cell_length_c 17.125258
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 29d88a8b-87aa-4216-9d2f-bc7a70e45b55 | mp-1214002 | Move atoms at indices [25] by [-0.556 3.159 -0.705] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce3P6Pd20
_chemical_formula_sum "Ce3 P6 Pd20"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740000001
... | data_image0
_chemical_formula_structural Ce3P6Pd20
_chemical_formula_sum "Ce3 P6 Pd20"
_cell_length_a 8.69849863
_cell_length_b 8.69862915
_cell_length_c 8.69743528
_cell_angle_alpha 60.03301289000001
_cell_angle_beta 60.03334011999999
_cell_angle_gamma 60.03013740000001
... |
MoveSelectedAtomsAction | 752905df-bfc2-45cd-82a5-bef27e68c7b2 | mp-1080028 | Move atoms at indices [9] by [ 0.175 1.296 -1.072] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2ZrTiO6
_chemical_formula_sum "Sr2 Zr1 Ti1 O6"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_s... | data_image0
_chemical_formula_structural Sr2ZrTiO6
_chemical_formula_sum "Sr2 Zr1 Ti1 O6"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_s... |
MoveSelectedAtomsAction | f83472ca-fce8-4f90-b1d2-6d5f75e1c7e7 | mp-758001 | Move atoms at indices [19, 14, 16, 25, 15, 22, 20, 6] by [-0.167 0.895 0.628] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V4C4O20
_chemical_formula_sum "Li8 V4 C4 O20"
_cell_length_a 2.939704
_cell_length_b 9.426139
_cell_length_c 12.017675
_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 Li8V4C4O20
_chemical_formula_sum "Li8 V4 C4 O20"
_cell_length_a 2.939704
_cell_length_b 9.426139
_cell_length_c 12.017675
_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 | d641090e-f2d1-4e25-988e-1da6825df83c | mp-1225690 | Move atoms at indices [16, 4, 0, 13, 20, 18, 19, 8, 12, 6, 10, 2] by [3.657 1.961 1.029] angstrom in the cif file. | data_image0
_chemical_formula_structural Er2Fe6Co6P7
_chemical_formula_sum "Er2 Fe6 Co6 P7"
_cell_length_a 3.607307
_cell_length_b 8.982424
_cell_length_c 8.98247072
_cell_angle_alpha 59.99830538
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Er2Fe6Co6P7
_chemical_formula_sum "Er2 Fe6 Co6 P7"
_cell_length_a 3.607307
_cell_length_b 8.982424
_cell_length_c 8.98247072
_cell_angle_alpha 59.99830538
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 891f634e-b101-4c45-9f8a-020e1386596c | mp-978989 | Move atoms at indices [14, 12, 4, 1, 11, 18, 15, 0, 5, 9] by [-2.771 0.441 0.42 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Tc14B6
_chemical_formula_sum "Tc14 B6"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Tc14B6
_chemical_formula_sum "Tc14 B6"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 16fbbf1b-1bec-4937-863b-7b7dae6a133b | mp-568761 | Move atoms at indices [28, 2, 9, 4] by [ 1.039 -0.864 0.669] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag16Te16
_chemical_formula_sum "Ag16 Te16"
_cell_length_a 4.78356307
_cell_length_b 8.96352613
_cell_length_c 20.0509739
_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 Ag16Te16
_chemical_formula_sum "Ag16 Te16"
_cell_length_a 4.78356307
_cell_length_b 8.96352613
_cell_length_c 20.0509739
_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 | 7b11f10b-b333-4a09-846c-c3814a53890f | mp-17383 | Move atoms at indices [9, 4, 0, 3, 2] by [-1.602 0.371 -0.868] angstrom in the cif file. | data_image0
_chemical_formula_structural Ni8Ge4
_chemical_formula_sum "Ni8 Ge4"
_cell_length_a 3.78795382
_cell_length_b 5.09612578
_cell_length_c 7.17851986
_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 Ni8Ge4
_chemical_formula_sum "Ni8 Ge4"
_cell_length_a 3.78795382
_cell_length_b 5.09612578
_cell_length_c 7.17851986
_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 | 0e3602a7-5ffb-41bd-b0e1-1a4d957edded | mp-1199395 | Move atoms at indices [25, 16, 1, 0] by [2.686 2.063 2.693] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4O12F20
_chemical_formula_sum "Zr4 O12 F20"
_cell_length_a 16.97047429
_cell_length_b 16.53675226
_cell_length_c 6.08330734
_cell_angle_alpha 83.58662603000002
_cell_angle_beta 75.54508631
_cell_angle_gamma 20.868287659999996
_sp... | data_image0
_chemical_formula_structural Zr4O12F20
_chemical_formula_sum "Zr4 O12 F20"
_cell_length_a 16.97047429
_cell_length_b 16.53675226
_cell_length_c 6.08330734
_cell_angle_alpha 83.58662603000002
_cell_angle_beta 75.54508631
_cell_angle_gamma 20.868287659999996
_sp... |
MoveSelectedAtomsAction | 823a18fb-6fe3-435b-a774-ed1458891539 | mp-1029422 | Move atoms at indices [0, 8] by [-0.597 0.825 3.454] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2Zn4N6
_chemical_formula_sum "Nb2 Zn4 N6"
_cell_length_a 5.69129974
_cell_length_b 5.76525118
_cell_length_c 5.38931929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.43078747999999
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | fb56c62c-0cd5-4205-8ad4-98e27a7b190a | mp-1217800 | Move atoms at indices [33, 43, 9, 41, 13, 21, 5] by [ 0.362 -1.803 1.176] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta12MoO33
_chemical_formula_sum "Ta12 Mo1 O33"
_cell_length_a 11.45759689
_cell_length_b 11.45759689
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_angle_gamma 19.3969724099... | data_image0
_chemical_formula_structural Ta12MoO33
_chemical_formula_sum "Ta12 Mo1 O33"
_cell_length_a 11.45759689
_cell_length_b 11.45759689
_cell_length_c 17.96622001
_cell_angle_alpha 57.109881130000005
_cell_angle_beta 57.109881130000005
_cell_angle_gamma 19.3969724099... |
MoveSelectedAtomsAction | 7859d22e-ce02-486c-920f-a2ab6e3c4ff8 | mp-1214079 | Move atoms at indices [37, 28, 0, 18] by [ 0.159 -1.674 -0.674] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca6Cd32Cu
_chemical_formula_sum "Ca6 Cd32 Cu1"
_cell_length_a 9.730385
_cell_length_b 9.730385
_cell_length_c 9.730385
_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 Ca6Cd32Cu
_chemical_formula_sum "Ca6 Cd32 Cu1"
_cell_length_a 9.730385
_cell_length_b 9.730385
_cell_length_c 9.730385
_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 | d2fbcbaf-227f-4c6e-8417-04ec931b5d38 | mp-28297 | Move atoms at indices [22, 5, 32, 39, 13] by [-0.9 1.522 -2.021] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd12S8Br20
_chemical_formula_sum "Nd12 S8 Br20"
_cell_length_a 6.927289
_cell_length_b 7.256481
_cell_length_c 22.787283
_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 Nd12S8Br20
_chemical_formula_sum "Nd12 S8 Br20"
_cell_length_a 6.927289
_cell_length_b 7.256481
_cell_length_c 22.787283
_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 | 5fb026bc-3644-4f77-9ada-a1f01e7d6fe9 | mp-1218215 | Move atoms at indices [28, 15, 8, 30, 24, 10, 26, 25, 2, 16, 14, 22, 3, 21, 1, 17, 12, 7, 31, 32, 29, 33, 6, 11, 4, 5, 9] by [-0.729 5.649 3.917] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta8Cu3S24
_chemical_formula_sum "Ta8 Cu3 S24"
_cell_length_a 3.42696889
_cell_length_b 9.62368759
_cell_length_c 21.665108739999997
_cell_angle_alpha 89.49460957000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Ta8Cu3S24
_chemical_formula_sum "Ta8 Cu3 S24"
_cell_length_a 3.42696889
_cell_length_b 9.62368759
_cell_length_c 21.665108739999997
_cell_angle_alpha 89.49460957000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveSelectedAtomsAction | 03d47276-e197-4491-8a3f-c38a69d68d3a | mp-1224199 | Move atoms at indices [14, 16, 15, 10, 5, 7, 2, 13, 4, 1, 9, 19, 8, 11, 20, 17, 0, 18, 6, 3] by [-0.178 -0.819 0.211] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho12Co9
_chemical_formula_sum "Ho12 Co9"
_cell_length_a 4.04348636
_cell_length_b 11.13594434
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_group_nam... | data_image0
_chemical_formula_structural Ho12Co9
_chemical_formula_sum "Ho12 Co9"
_cell_length_a 4.04348636
_cell_length_b 11.13594434
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_group_nam... |
MoveSelectedAtomsAction | f1c647a2-3992-4c83-878f-8e2d5d919e6a | mp-728431 | Move atoms at indices [14, 23, 6, 25, 17, 3, 12] by [ 1.514 -2.376 4.915] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cr4O18
_chemical_formula_sum "Li4 Cr4 O18"
_cell_length_a 8.53267349
_cell_length_b 8.53267349
_cell_length_c 6.6120849
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 120.35945653
_space_group_name_... | data_image0
_chemical_formula_structural Li4Cr4O18
_chemical_formula_sum "Li4 Cr4 O18"
_cell_length_a 8.53267349
_cell_length_b 8.53267349
_cell_length_c 6.6120849
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 120.35945653
_space_group_name_... |
MoveSelectedAtomsAction | 3d48b0e7-5a12-4038-b9ab-7461b3ca13ea | mp-559593 | Move atoms at indices [5, 16, 30, 18, 21, 12, 29, 11, 9, 26] by [-1.224 0.926 -1.616] angstrom in the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... |
MoveSelectedAtomsAction | e23d2f2d-12e4-45f9-8368-8a214ae10826 | mp-1177360 | Move atoms at indices [9, 3, 5, 22] by [-0.167 3.056 -0.576] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn3V3Fe2O16
_chemical_formula_sum "Li4 Mn3 V3 Fe2 O16"
_cell_length_a 5.91454
_cell_length_b 5.915028330000001
_cell_length_c 9.61285066
_cell_angle_alpha 89.11781684
_cell_angle_beta 88.27540368
_cell_angle_gamma 60.24362554
_s... | data_image0
_chemical_formula_structural Li4Mn3V3Fe2O16
_chemical_formula_sum "Li4 Mn3 V3 Fe2 O16"
_cell_length_a 5.91454
_cell_length_b 5.915028330000001
_cell_length_c 9.61285066
_cell_angle_alpha 89.11781684
_cell_angle_beta 88.27540368
_cell_angle_gamma 60.24362554
_s... |
MoveSelectedAtomsAction | 156370db-ce0e-4cea-8d9a-e96c53d2791b | mp-557500 | Move atoms at indices [6, 2, 5, 9] by [3.55 0.696 2.006] angstrom in the cif file. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... |
MoveSelectedAtomsAction | 27eeff98-78a5-4d8d-b4bb-71c9552a4ff3 | mp-19489 | Move atoms at indices [12, 54, 59, 38, 34, 55, 52, 0, 32, 57, 9, 45, 40, 23, 13, 18, 10, 61, 39, 20] by [ 1.538 1.346 -0.298] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 0956ad20-06b0-478e-8e8e-4ba8329815ae | mp-1176082 | Move atoms at indices [29, 17, 30, 18, 7, 13, 19, 0, 16, 4, 24, 15, 1, 6, 10, 28, 21, 8, 26, 9, 22, 20, 11, 2, 12, 23, 25, 3, 14, 5, 31] by [-0.675 -2.438 -0.248] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 4.99545
_cell_length_b 5.87316598
_cell_length_c 10.22400406
_cell_angle_alpha 89.65759952
_cell_angle_beta 98.18897752
_cell_angle_gamma 106.55621967000002
_space... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 4.99545
_cell_length_b 5.87316598
_cell_length_c 10.22400406
_cell_angle_alpha 89.65759952
_cell_angle_beta 98.18897752
_cell_angle_gamma 106.55621967000002
_space... |
MoveSelectedAtomsAction | bb0a59f2-1555-4dc2-b594-3fe4a904fe15 | mp-775339 | Move atoms at indices [42, 29, 23, 15, 34, 27, 43, 26, 11, 45, 16, 9, 28, 30, 10, 6, 3] by [-2.8 3.1 -2.258] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... | data_image0
_chemical_formula_structural Li4V2Si12O30
_chemical_formula_sum "Li4 V2 Si12 O30"
_cell_length_a 9.75245569
_cell_length_b 9.75245569
_cell_length_c 9.752455690000001
_cell_angle_alpha 131.77905279000004
_cell_angle_beta 118.29041556999998
_cell_angle_gamma 81.... |
MoveSelectedAtomsAction | 0828bb96-ca9f-437a-8aaa-cd82ca48eb30 | mp-1112417 | Move atoms at indices [0, 1, 3, 5, 7, 8] by [-3.414 0.374 0.346] angstrom in the cif file. | data_image0
_chemical_formula_structural K2TaAuF6
_chemical_formula_sum "K2 Ta1 Au1 F6"
_cell_length_a 7.20553407
_cell_length_b 7.20553407
_cell_length_c 7.20553407
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2TaAuF6
_chemical_formula_sum "K2 Ta1 Au1 F6"
_cell_length_a 7.20553407
_cell_length_b 7.20553407
_cell_length_c 7.20553407
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveSelectedAtomsAction | 11cb349c-a55e-4d51-a556-e7ddb9086809 | mp-25285 | Move atoms at indices [8, 12, 7, 13, 16, 14, 9, 15, 0, 6, 1, 2, 4] by [0.011 3.829 1.482] 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 | 509ab9fd-6e68-42cb-9154-7681ff1c3f07 | mp-2227842 | Move atoms at indices [2, 1, 10, 7, 0, 4] by [2.18 2.388 0.692] angstrom in the cif file. | data_image0
_chemical_formula_structural MgBi4O8
_chemical_formula_sum "Mg1 Bi4 O8"
_cell_length_a 5.62608818
_cell_length_b 7.93709688
_cell_length_c 7.528547720000001
_cell_angle_alpha 65.96628476
_cell_angle_beta 55.84103581000001
_cell_angle_gamma 52.855121849999996
_... | data_image0
_chemical_formula_structural MgBi4O8
_chemical_formula_sum "Mg1 Bi4 O8"
_cell_length_a 5.62608818
_cell_length_b 7.93709688
_cell_length_c 7.528547720000001
_cell_angle_alpha 65.96628476
_cell_angle_beta 55.84103581000001
_cell_angle_gamma 52.855121849999996
_... |
MoveSelectedAtomsAction | 85575372-5868-4abe-9f9b-bd64c8665345 | mp-558636 | Move atoms at indices [2, 9, 0, 6, 12, 13] by [ 0.246 -0.1 -0.156] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Al4O8
_chemical_formula_sum "Ca2 Al4 O8"
_cell_length_a 3.75689449
_cell_length_b 5.56036099
_cell_length_c 7.059453099999999
_cell_angle_alpha 78.76788928
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca2Al4O8
_chemical_formula_sum "Ca2 Al4 O8"
_cell_length_a 3.75689449
_cell_length_b 5.56036099
_cell_length_c 7.059453099999999
_cell_angle_alpha 78.76788928
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 4fa1302e-4ae7-44de-9c6c-f46a2eb9cd07 | mp-570684 | Move atoms at indices [7, 2] by [ 1.759 -0.076 3.426] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Os8
_chemical_formula_sum "Zr4 Os8"
_cell_length_a 5.2087459
_cell_length_b 5.20874741
_cell_length_c 8.58838303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000971999998
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zr4Os8
_chemical_formula_sum "Zr4 Os8"
_cell_length_a 5.2087459
_cell_length_b 5.20874741
_cell_length_c 8.58838303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000971999998
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | c1f5c14a-27ee-4edf-a8f9-3d26a94843f1 | mp-18245 | Move atoms at indices [0, 18, 19, 26, 12, 21, 16, 9] by [-2.342 -3.723 -2.658] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Co4P4O16
_chemical_formula_sum "Na4 Co4 P4 O16"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_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 Na4Co4P4O16
_chemical_formula_sum "Na4 Co4 P4 O16"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_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 | 8047a1d1-f6e7-4b4c-bc0f-150dfcddf0fb | mp-571569 | Move atoms at indices [13, 25] by [ 1.78 -1.681 -1.051] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd9I18
_chemical_formula_sum "Cd9 I18"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 64.37281574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd9I18
_chemical_formula_sum "Cd9 I18"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 64.37281574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 859dcf3a-1693-4958-9ca0-fd3877b531eb | mp-759145 | Move atoms at indices [63, 15, 50, 64, 25, 73, 55, 21, 11, 80, 14, 69, 12, 1, 72, 23, 29, 39, 20, 10, 42, 82, 66, 5, 44, 24, 32, 9, 59, 0, 58, 8, 28, 4, 45, 18, 79, 75, 31, 47, 33, 54, 17, 57, 52, 16, 61, 71, 77, 60, 76, 34, 3, 83, 27, 19, 49, 70, 67, 46, 56, 48, 74, 30, 26, 62, 78, 35, 13, 22, 65, 6] by [2.617 1.337 1... | data_image0
_chemical_formula_structural Li12Co12Si12O48
_chemical_formula_sum "Li12 Co12 Si12 O48"
_cell_length_a 8.025713
_cell_length_b 8.653149
_cell_length_c 17.3381364
_cell_angle_alpha 60.657230430000006
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Li12Co12Si12O48
_chemical_formula_sum "Li12 Co12 Si12 O48"
_cell_length_a 8.025713
_cell_length_b 8.653149
_cell_length_c 17.3381364
_cell_angle_alpha 60.657230430000006
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
MoveSelectedAtomsAction | 0c920438-5a20-4fc1-bd37-feb1ae5e4fe9 | mp-1224658 | Move atoms at indices [22, 35, 1, 11, 32, 13, 15, 27, 26, 4, 2, 3, 38, 10, 36, 14, 34, 29, 7, 28, 6] by [2.327 0.195 0.788] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho4Fe34C2
_chemical_formula_sum "Ho4 Fe34 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho4Fe34C2
_chemical_formula_sum "Ho4 Fe34 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 2962fac1-a8d5-4cd0-ac4e-3362d44f9ec8 | mp-1228355 | Move atoms at indices [28, 18, 9, 1, 29, 12, 3, 33, 6, 16, 7, 21, 30, 8, 19, 4, 2, 15, 26] by [-0.154 -0.252 1.259] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba8Sn2Ge4S16Br4
_chemical_formula_sum "Ba8 Sn2 Ge4 S16 Br4"
_cell_length_a 9.107169
_cell_length_b 9.29278
_cell_length_c 12.108653
_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 Ba8Sn2Ge4S16Br4
_chemical_formula_sum "Ba8 Sn2 Ge4 S16 Br4"
_cell_length_a 9.107169
_cell_length_b 9.29278
_cell_length_c 12.108653
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 90d028da-df3b-45c8-bc83-0591705d6d0a | mp-626573 | Move atoms at indices [33, 13, 54, 51] by [ 3.085 0.969 -0.863] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe16H16O32
_chemical_formula_sum "Fe16 H16 O32"
_cell_length_a 6.015304
_cell_length_b 11.314208370000001
_cell_length_c 12.29183503
_cell_angle_alpha 96.5951154
_cell_angle_beta 90.06491777
_cell_angle_gamma 90.25076776999998
_spa... | data_image0
_chemical_formula_structural Fe16H16O32
_chemical_formula_sum "Fe16 H16 O32"
_cell_length_a 6.015304
_cell_length_b 11.314208370000001
_cell_length_c 12.29183503
_cell_angle_alpha 96.5951154
_cell_angle_beta 90.06491777
_cell_angle_gamma 90.25076776999998
_spa... |
MoveSelectedAtomsAction | 1908544e-e519-4a64-ae33-4b97a8af965c | mp-1522695 | Move atoms at indices [9, 6, 2, 3, 5] by [-0.887 1.123 -0.143] angstrom in the cif file. | data_image0
_chemical_formula_structural KCaTbNbO6
_chemical_formula_sum "K1 Ca1 Tb1 Nb1 O6"
_cell_length_a 5.9966415
_cell_length_b 5.996641499999999
_cell_length_c 5.996641499999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural KCaTbNbO6
_chemical_formula_sum "K1 Ca1 Tb1 Nb1 O6"
_cell_length_a 5.9966415
_cell_length_b 5.996641499999999
_cell_length_c 5.996641499999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveSelectedAtomsAction | 74df3467-3e9f-4f9b-ae0e-e77edfca044e | mp-1196766 | Move atoms at indices [9, 3, 60, 18, 29, 49, 13, 14, 75, 5, 38, 52, 84, 77, 51, 41, 58, 54, 85, 53, 46, 40, 36, 63, 27, 48, 37, 20, 1, 57, 71, 62, 10, 44, 50, 12] by [-0.91 -0.469 2.021] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce2Ni4N34O48
_chemical_formula_sum "Ce2 Ni4 N34 O48"
_cell_length_a 10.25773665
_cell_length_b 10.25773665
_cell_length_c 10.25773665
_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 Ce2Ni4N34O48
_chemical_formula_sum "Ce2 Ni4 N34 O48"
_cell_length_a 10.25773665
_cell_length_b 10.25773665
_cell_length_c 10.25773665
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 8d3964a3-86a9-4b64-a4a5-36e0e9b9ab88 | mp-1520482 | Move atoms at indices [3, 8, 6, 5, 4, 2, 0, 7, 1, 9] by [-2.896 1.157 1.217] angstrom in the cif file. | data_image0
_chemical_formula_structural KEuFeSnO6
_chemical_formula_sum "K1 Eu1 Fe1 Sn1 O6"
_cell_length_a 5.67554949
_cell_length_b 5.67554949
_cell_length_c 5.67554949
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KEuFeSnO6
_chemical_formula_sum "K1 Eu1 Fe1 Sn1 O6"
_cell_length_a 5.67554949
_cell_length_b 5.67554949
_cell_length_c 5.67554949
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
MoveSelectedAtomsAction | d00286e0-3b99-4343-ae27-0df497a0c823 | mp-613620 | Move atoms at indices [0, 1, 37, 11, 17, 21, 28, 36] by [0.319 0.68 0.786] angstrom in the cif file. | data_image0
_chemical_formula_structural Rh16O24
_chemical_formula_sum "Rh16 O24"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rh16O24
_chemical_formula_sum "Rh16 O24"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | f64edbf5-1f75-42c0-815a-14822f1baeee | mp-1225428 | Move atoms at indices [13, 7, 15, 17, 12, 16, 19, 0, 1, 18] by [-1.335 -1.517 4.123] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy4V2Fe2O12
_chemical_formula_sum "Dy4 V2 Fe2 O12"
_cell_length_a 5.682189
_cell_length_b 5.250896
_cell_length_c 9.19555886
_cell_angle_alpha 55.284866669999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Dy4V2Fe2O12
_chemical_formula_sum "Dy4 V2 Fe2 O12"
_cell_length_a 5.682189
_cell_length_b 5.250896
_cell_length_c 9.19555886
_cell_angle_alpha 55.284866669999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 42589e6c-de15-46e2-8bc1-00a7c0e4e990 | mp-1208988 | Move atoms at indices [4, 1, 12, 3, 14, 7, 0, 11, 6, 2, 13, 9] by [ 0.313 -3.759 -2.348] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm3Ni9Sn6
_chemical_formula_sum "Sm3 Ni9 Sn6"
_cell_length_a 4.102391
_cell_length_b 9.58246961
_cell_length_c 9.58246961
_cell_angle_alpha 119.9999973
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sm3Ni9Sn6
_chemical_formula_sum "Sm3 Ni9 Sn6"
_cell_length_a 4.102391
_cell_length_b 9.58246961
_cell_length_c 9.58246961
_cell_angle_alpha 119.9999973
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 4f83edef-7fac-418f-a2ba-327fc7477f28 | mp-530449 | Move atoms at indices [45, 34, 76, 72, 24, 57, 37, 79, 90, 81, 18, 87, 53, 49, 16, 75, 26, 17, 55, 3, 9, 12, 52, 5, 70, 85, 71, 51, 60, 88, 69, 50, 33, 32, 62, 74, 8, 1, 22, 67, 30, 10, 2, 64, 54, 0, 73, 23, 86, 40, 48, 61, 28, 77, 29, 66, 82, 14, 46, 44, 15, 20, 6, 56, 80, 47, 4] by [ 2.292 2.086 -0.149] angstrom in ... | data_image0
_chemical_formula_structural Ca21As14O56
_chemical_formula_sum "Ca21 As14 O56"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca21As14O56
_chemical_formula_sum "Ca21 As14 O56"
_cell_length_a 14.25577019
_cell_length_b 14.255770190000002
_cell_length_c 14.255769929999998
_cell_angle_alpha 45.07982220000001
_cell_angle_beta 45.07982220000001
_cell_angle_gamma ... |
MoveSelectedAtomsAction | 5d9d309d-dd9c-4dc8-811b-ff19db97afba | mp-604304 | Move atoms at indices [53, 45, 22, 19, 44, 38, 23, 12, 33, 21, 51, 20, 7, 18, 5] by [-0.273 2.752 -3.611] angstrom in the cif file. | data_image0
_chemical_formula_structural Hg2H32Br12N8
_chemical_formula_sum "Hg2 H32 Br12 N8"
_cell_length_a 9.123975
_cell_length_b 9.129847
_cell_length_c 9.482614
_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 Hg2H32Br12N8
_chemical_formula_sum "Hg2 H32 Br12 N8"
_cell_length_a 9.123975
_cell_length_b 9.129847
_cell_length_c 9.482614
_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 | 2e5d2067-381a-4ace-afc4-5b59e9b9d6ed | mp-1102486 | Move atoms at indices [2, 5, 8, 0, 4, 6, 3, 9, 10, 7, 11, 1] by [-0.248 0.005 -2.941] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm2P2O8
_chemical_formula_sum "Sm2 P2 O8"
_cell_length_a 5.83727174
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma 116.51870327
_space_... | data_image0
_chemical_formula_structural Sm2P2O8
_chemical_formula_sum "Sm2 P2 O8"
_cell_length_a 5.83727174
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma 116.51870327
_space_... |
MoveSelectedAtomsAction | c13b3d73-6728-4f85-8fe5-b77d07bcafbe | mp-768947 | Move atoms at indices [16, 15, 0, 5, 11] by [-0.247 0.147 -1.649] angstrom in the cif file. | data_image0
_chemical_formula_structural Li10Zn3Ge4O16
_chemical_formula_sum "Li10 Zn3 Ge4 O16"
_cell_length_a 5.231285
_cell_length_b 6.39117044
_cell_length_c 10.99877016
_cell_angle_alpha 90.21476274
_cell_angle_beta 90.37445161
_cell_angle_gamma 90.42332329000001
_spa... | data_image0
_chemical_formula_structural Li10Zn3Ge4O16
_chemical_formula_sum "Li10 Zn3 Ge4 O16"
_cell_length_a 5.231285
_cell_length_b 6.39117044
_cell_length_c 10.99877016
_cell_angle_alpha 90.21476274
_cell_angle_beta 90.37445161
_cell_angle_gamma 90.42332329000001
_spa... |
MoveSelectedAtomsAction | a8ad1d42-86c3-49dc-a2e6-e2d03f2af330 | mp-1174188 | Move atoms at indices [16, 6, 15, 1, 9, 2, 3, 4, 5, 18, 0, 13, 8, 11, 12, 19, 17, 7, 10, 14] by [-0.725 -0.154 0.486] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Mn2Co2O10
_chemical_formula_sum "Li6 Mn2 Co2 O10"
_cell_length_a 2.906382
_cell_length_b 7.770289890000001
_cell_length_c 8.28969021
_cell_angle_alpha 105.28852112000001
_cell_angle_beta 90.2531899
_cell_angle_gamma 98.5773225099... | data_image0
_chemical_formula_structural Li6Mn2Co2O10
_chemical_formula_sum "Li6 Mn2 Co2 O10"
_cell_length_a 2.906382
_cell_length_b 7.770289890000001
_cell_length_c 8.28969021
_cell_angle_alpha 105.28852112000001
_cell_angle_beta 90.2531899
_cell_angle_gamma 98.5773225099... |
MoveSelectedAtomsAction | 11853fe1-8df4-4078-b9dd-9d0242f308d9 | mp-778104 | Move atoms at indices [22, 13, 26] by [ 1.836 -0.419 -0.622] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8V8O20
_chemical_formula_sum "Na8 V8 O20"
_cell_length_a 5.347748
_cell_length_b 6.609739
_cell_length_c 17.007004
_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 Na8V8O20
_chemical_formula_sum "Na8 V8 O20"
_cell_length_a 5.347748
_cell_length_b 6.609739
_cell_length_c 17.007004
_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 | afa1af97-b09b-49d8-ad18-1d19d24381ac | mp-726132 | Move atoms at indices [6, 1, 0, 4, 3, 8, 11] by [-0.719 -1.996 1.274] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... | data_image0
_chemical_formula_structural Ta2N4Cl10
_chemical_formula_sum "Ta2 N4 Cl10"
_cell_length_a 10.54070225
_cell_length_b 10.54070225
_cell_length_c 10.540702249999999
_cell_angle_alpha 140.02971360000004
_cell_angle_beta 140.02971360000004
_cell_angle_gamma 57.8081... |
MoveSelectedAtomsAction | 554dd0b8-2d97-4822-beb5-0c28fabefb59 | mp-1214497 | Move atoms at indices [0, 41, 7, 10, 3, 5, 18, 2, 15, 8, 16, 40, 32, 26, 1, 29, 35, 31, 28, 33, 27] by [ 2.151 2.565 -0.91 ] 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 ... |
MoveSelectedAtomsAction | 337be965-6399-4767-b979-d29bb43139b9 | mp-1520242 | Move atoms at indices [6, 2, 7] by [-1.843 -0.08 -0.08 ] 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 | 0adeb235-3e89-4c57-9aaf-90e2d1f0fd56 | mp-2713621 | Move atoms at indices [78, 68, 40, 3, 61, 74, 38, 37, 29, 34, 7, 25, 69, 17, 55, 4, 35, 15, 19, 60, 66, 2, 59, 57, 18, 44, 73, 72, 11, 67, 77, 64, 0, 41, 62, 6, 49, 27, 33, 26, 8, 10, 9, 70, 50, 31, 23, 5, 43, 22, 79, 28, 24, 36, 39, 13] by [-0.496 6.847 -0.404] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... |
MoveSelectedAtomsAction | 8193a1fc-802a-4c05-a3b5-c10c79f7e146 | mp-1213326 | Move atoms at indices [16, 37, 1, 46, 40, 21, 7, 28, 38, 48, 8, 13, 34, 27, 6, 2, 0, 3, 24, 47, 30, 39, 31, 26, 45, 22, 14, 33, 41, 11, 42, 9, 50, 44, 10, 51, 32, 43, 4, 5, 36, 18, 23, 17, 29, 35, 49, 12, 20, 19] by [ 4.391 1.781 -1.658] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Tm2Nb12Br36
_chemical_formula_sum "Cs2 Tm2 Nb12 Br36"
_cell_length_a 9.8943093
_cell_length_b 9.8943093
_cell_length_c 18.473738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999529
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cs2Tm2Nb12Br36
_chemical_formula_sum "Cs2 Tm2 Nb12 Br36"
_cell_length_a 9.8943093
_cell_length_b 9.8943093
_cell_length_c 18.473738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999529
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 7288ca19-7e30-4149-b82c-f179135d7d5c | mp-1103985 | Move atoms at indices [3, 14, 1, 11, 0, 8, 2, 13] by [ 1.147 -5.429 0.257] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... |
MoveSelectedAtomsAction | 1e7c14bd-78c6-4dfc-b42e-399e4d0af0b7 | mp-2227842 | Move atoms at indices [11, 7, 6] by [3.145 0.1 1.913] angstrom in the cif file. | data_image0
_chemical_formula_structural MgBi4O8
_chemical_formula_sum "Mg1 Bi4 O8"
_cell_length_a 5.62608818
_cell_length_b 7.93709688
_cell_length_c 7.528547720000001
_cell_angle_alpha 65.96628476
_cell_angle_beta 55.84103581000001
_cell_angle_gamma 52.855121849999996
_... | data_image0
_chemical_formula_structural MgBi4O8
_chemical_formula_sum "Mg1 Bi4 O8"
_cell_length_a 5.62608818
_cell_length_b 7.93709688
_cell_length_c 7.528547720000001
_cell_angle_alpha 65.96628476
_cell_angle_beta 55.84103581000001
_cell_angle_gamma 52.855121849999996
_... |
MoveSelectedAtomsAction | 0257a545-2712-4a14-8cd2-a804edc810fc | mp-1027965 | Move atoms at indices [14, 0, 5, 9, 12, 4, 7] by [ 0.416 -2.48 1.296] angstrom in the cif file. | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 1a90d084-5428-46e7-9489-362e5d3360de | mp-2958 | Move atoms at indices [1, 7, 9] by [-2.508 -2.843 0.798] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy2B4C4
_chemical_formula_sum "Dy2 B4 C4"
_cell_length_a 3.57203823
_cell_length_b 5.33014105
_cell_length_c 5.33014105
_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 Dy2B4C4
_chemical_formula_sum "Dy2 B4 C4"
_cell_length_a 3.57203823
_cell_length_b 5.33014105
_cell_length_c 5.33014105
_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... |
MoveSelectedAtomsAction | c6ad61b9-56c9-43fe-821f-8675ad5846f5 | mp-542012 | Move atoms at indices [9, 16, 36, 37, 28, 0, 15, 2, 24, 33, 10, 18, 5, 14, 23, 20, 25, 1, 38, 32, 40, 12, 39, 11, 31, 34, 8, 30, 19] by [ 0.843 -0.766 0.293] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb8Hf6S28
_chemical_formula_sum "Rb8 Hf6 S28"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... | data_image0
_chemical_formula_structural Rb8Hf6S28
_chemical_formula_sum "Rb8 Hf6 S28"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... |
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