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 |
|---|---|---|---|---|---|
RotateAroundAtomAction | d09f04a1-4016-48a5-b96a-e995fad487e4 | mp-775212 | Rotate all surrounding atoms within 2.741 angstrom of the center atom at index 18 by 206.009 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mn2V4P6O24
_chemical_formula_sum "Mn2 V4 P6 O24"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000005
_... | data_image0
_chemical_formula_structural Mn2V4P6O24
_chemical_formula_sum "Mn2 V4 P6 O24"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000005
_... |
RotateAroundAtomAction | e02823ca-d847-4f6a-ba0d-842d44f1591d | mp-1245687 | Rotate all surrounding atoms within 3.268 angstrom of the center atom at index 14 by 156.742 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ta16Te12N8
_chemical_formula_sum "Ta16 Te12 N8"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_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 Ta16Te12N8
_chemical_formula_sum "Ta16 Te12 N8"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
RotateAroundAtomAction | 6a7a2100-9a2f-44c3-82b1-f7db5a9cab13 | mp-556409 | Rotate all surrounding atoms within 3.766 angstrom of the center atom at index 26 by 129.953 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20
_chemical_formula_sum "Ba7 Ca2 Mn5 O20"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.1467... | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20
_chemical_formula_sum "Ba7 Ca2 Mn5 O20"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.1467... |
RotateAroundAtomAction | 1495fc14-aecd-4e60-9528-8f0d6681fa1d | mp-1221261 | Rotate all surrounding atoms within 1.834 angstrom of the center atom at index 39 by 50.317 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na3CaSc3ZnSi8O24
_chemical_formula_sum "Na3 Ca1 Sc3 Zn1 Si8 O24"
_cell_length_a 9.127381
_cell_length_b 5.376768
_cell_length_c 9.8600124
_cell_angle_alpha 75.33170251
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Na3CaSc3ZnSi8O24
_chemical_formula_sum "Na3 Ca1 Sc3 Zn1 Si8 O24"
_cell_length_a 9.127381
_cell_length_b 5.376768
_cell_length_c 9.8600124
_cell_angle_alpha 75.33170251
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
RotateAroundAtomAction | 18af507e-269a-46bd-84f5-634a2a3d22e0 | mp-15203 | Rotate all surrounding atoms within 2.898 angstrom of the center atom at index 45 by 143.191 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... |
RotateAroundAtomAction | 214835ea-1e96-4b4f-bb44-2dba3bc6b16a | mp-1205925 | Rotate all surrounding atoms within 3.345 angstrom of the center atom at index 6 by 71.382 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sm4In2Au4
_chemical_formula_sum "Sm4 In2 Au4"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_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 Sm4In2Au4
_chemical_formula_sum "Sm4 In2 Au4"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
RotateAroundAtomAction | 57561fb9-3f17-4a87-81c9-407ced8e53f4 | mp-27653 | Rotate all surrounding atoms within 3.144 angstrom of the center atom at index 0 by 160.276 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li4Al4H16
_chemical_formula_sum "Li4 Al4 H16"
_cell_length_a 7.8247
_cell_length_b 4.861909
_cell_length_c 7.87004681
_cell_angle_alpha 68.19494442
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Li4Al4H16
_chemical_formula_sum "Li4 Al4 H16"
_cell_length_a 7.8247
_cell_length_b 4.861909
_cell_length_c 7.87004681
_cell_angle_alpha 68.19494442
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
RotateAroundAtomAction | 48ce8047-bf01-424c-9162-5105fef82242 | mp-557634 | Rotate all surrounding atoms within 3.149 angstrom of the center atom at index 21 by 56.22 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... |
RotateAroundAtomAction | d99549d5-1e79-41da-8030-165e98b44b37 | mp-556517 | Rotate all surrounding atoms within 2.475 angstrom of the center atom at index 16 by 122.647 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural K8Pb4O8
_chemical_formula_sum "K8 Pb4 O8"
_cell_length_a 7.32732357
_cell_length_b 7.51094697
_cell_length_c 9.97597018
_cell_angle_alpha 84.71945142
_cell_angle_beta 69.92506192
_cell_angle_gamma 61.17031928000001
_space_group_nam... | data_image0
_chemical_formula_structural K8Pb4O8
_chemical_formula_sum "K8 Pb4 O8"
_cell_length_a 7.32732357
_cell_length_b 7.51094697
_cell_length_c 9.97597018
_cell_angle_alpha 84.71945142
_cell_angle_beta 69.92506192
_cell_angle_gamma 61.17031928000001
_space_group_nam... |
RotateAroundAtomAction | 53b9189a-e9d9-4436-9b72-206817f396ed | mp-1239078 | Rotate all surrounding atoms within 3.695 angstrom of the center atom at index 23 by 78.173 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ho8Bi16C8
_chemical_formula_sum "Ho8 Bi16 C8"
_cell_length_a 10.729442
_cell_length_b 10.729442
_cell_length_c 7.145487
_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 Ho8Bi16C8
_chemical_formula_sum "Ho8 Bi16 C8"
_cell_length_a 10.729442
_cell_length_b 10.729442
_cell_length_c 7.145487
_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... |
RotateAroundAtomAction | 5ba357bf-c487-4f17-8618-8bc56f7b2493 | mp-1105068 | Rotate all surrounding atoms within 3.005 angstrom of the center atom at index 1 by 226.126 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... |
RotateAroundAtomAction | 7000c3d5-4517-469e-b414-1451f7279c6f | mp-857354 | Rotate all surrounding atoms within 2.997 angstrom of the center atom at index 29 by 288.606 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural LiSn3SbP6O24
_chemical_formula_sum "Li1 Sn3 Sb1 P6 O24"
_cell_length_a 8.97603583
_cell_length_b 8.97603583
_cell_length_c 8.97603585
_cell_angle_alpha 58.29544487000001
_cell_angle_beta 58.29544487
_cell_angle_gamma 58.295447260000... | data_image0
_chemical_formula_structural LiSn3SbP6O24
_chemical_formula_sum "Li1 Sn3 Sb1 P6 O24"
_cell_length_a 8.97603583
_cell_length_b 8.97603583
_cell_length_c 8.97603585
_cell_angle_alpha 58.29544487000001
_cell_angle_beta 58.29544487
_cell_angle_gamma 58.295447260000... |
RotateAroundAtomAction | 53f15512-bce5-4a8a-8787-ff3373b8ae38 | mp-705680 | Rotate all surrounding atoms within 2.777 angstrom of the center atom at index 22 by 257.296 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural La4Mo4O18
_chemical_formula_sum "La4 Mo4 O18"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999998
_... | data_image0
_chemical_formula_structural La4Mo4O18
_chemical_formula_sum "La4 Mo4 O18"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999998
_... |
RotateAroundAtomAction | fa8f3d2c-8b05-4b7f-82e8-6122523c4f03 | mp-766004 | Rotate all surrounding atoms within 3.463 angstrom of the center atom at index 32 by 299.215 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.00009645
_sp... | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.00009645
_sp... |
RotateAroundAtomAction | 2dba9ffb-e8d7-4b8d-b11e-df26046bbdc9 | mp-1228545 | Rotate all surrounding atoms within 2.804 angstrom of the center atom at index 7 by 287.57 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | 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... |
RotateAroundAtomAction | ca5a841a-9754-4e0d-b1e8-e2bd456d2d68 | mp-1201281 | Rotate all surrounding atoms within 2.982 angstrom of the center atom at index 7 by 266.47 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_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 Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
RotateAroundAtomAction | d4b2ef7d-2e18-4801-a980-8b9df5d3bbf9 | mp-14485 | Rotate all surrounding atoms within 3.365 angstrom of the center atom at index 37 by 139.067 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural La2Ta14O38
_chemical_formula_sum "La2 Ta14 O38"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999999
_sp... | data_image0
_chemical_formula_structural La2Ta14O38
_chemical_formula_sum "La2 Ta14 O38"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999999
_sp... |
RotateAroundAtomAction | 1205f699-2cf6-4abc-a94e-be5b63497712 | mp-696189 | Rotate all surrounding atoms within 2.129 angstrom of the center atom at index 14 by 47.991 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Tl2H12N6O24
_chemical_formula_sum "Tl2 H12 N6 O24"
_cell_length_a 7.88195585
_cell_length_b 7.88195585
_cell_length_c 7.88195497
_cell_angle_alpha 100.66060389999998
_cell_angle_beta 100.66060389999998
_cell_angle_gamma 100.66059958... | data_image0
_chemical_formula_structural Tl2H12N6O24
_chemical_formula_sum "Tl2 H12 N6 O24"
_cell_length_a 7.88195585
_cell_length_b 7.88195585
_cell_length_c 7.88195497
_cell_angle_alpha 100.66060389999998
_cell_angle_beta 100.66060389999998
_cell_angle_gamma 100.66059958... |
RotateAroundAtomAction | 09102ce4-b583-4efa-a1aa-57460187ed83 | mp-1217387 | Rotate all surrounding atoms within 3.885 angstrom of the center atom at index 6 by 165.9 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 5.031406
_cell_length_b 5.031406
_cell_length_c 7.612934
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 5.031406
_cell_length_b 5.031406
_cell_length_c 7.612934
_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... |
RotateAroundAtomAction | 7c21cdbf-3a9d-48fc-9ba1-a6855d6ec46a | mp-1103193 | Rotate all surrounding atoms within 3.254 angstrom of the center atom at index 10 by 228.055 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Eu4Al4Au4
_chemical_formula_sum "Eu4 Al4 Au4"
_cell_length_a 4.62465214
_cell_length_b 7.53465221
_cell_length_c 7.71137775
_cell_angle_alpha 90.00196137
_cell_angle_beta 89.99997352
_cell_angle_gamma 89.99999955000001
_space_group... | data_image0
_chemical_formula_structural Eu4Al4Au4
_chemical_formula_sum "Eu4 Al4 Au4"
_cell_length_a 4.62465214
_cell_length_b 7.53465221
_cell_length_c 7.71137775
_cell_angle_alpha 90.00196137
_cell_angle_beta 89.99997352
_cell_angle_gamma 89.99999955000001
_space_group... |
RotateAroundAtomAction | 8c368466-f21a-42d0-bc78-1741076e880a | mp-1229180 | Rotate all surrounding atoms within 2.634 angstrom of the center atom at index 22 by 184.475 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... |
RotateAroundAtomAction | dbacd7a6-9193-49f9-a8fe-e8def473d46f | mp-568422 | Rotate all surrounding atoms within 2.62 angstrom of the center atom at index 4 by 303.369 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na2Ag2C4N4
_chemical_formula_sum "Na2 Ag2 C4 N4"
_cell_length_a 3.84354959
_cell_length_b 3.84354959
_cell_length_c 17.64199814
_cell_angle_alpha 88.71636565
_cell_angle_beta 88.71636565
_cell_angle_gamma 59.55760556999999
_space_g... | data_image0
_chemical_formula_structural Na2Ag2C4N4
_chemical_formula_sum "Na2 Ag2 C4 N4"
_cell_length_a 3.84354959
_cell_length_b 3.84354959
_cell_length_c 17.64199814
_cell_angle_alpha 88.71636565
_cell_angle_beta 88.71636565
_cell_angle_gamma 59.55760556999999
_space_g... |
RotateAroundAtomAction | 598858b0-bae5-47ac-a902-4db6551cbf06 | mp-1213761 | Rotate all surrounding atoms within 2.923 angstrom of the center atom at index 12 by 188.164 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Cr4Ni8B4O20
_chemical_formula_sum "Cr4 Ni8 B4 O20"
_cell_length_a 3.031867
_cell_length_b 9.311684
_cell_length_c 12.240526
_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 Cr4Ni8B4O20
_chemical_formula_sum "Cr4 Ni8 B4 O20"
_cell_length_a 3.031867
_cell_length_b 9.311684
_cell_length_c 12.240526
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
RotateAroundAtomAction | b5926157-d32f-4927-b4e1-1d0f2fbdd742 | mp-557801 | Rotate all surrounding atoms within 3.106 angstrom of the center atom at index 55 by 114.931 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural K2Ba6Ca8V14Cu6O56
_chemical_formula_sum "K2 Ba6 Ca8 V14 Cu6 O56"
_cell_length_a 11.42723405
_cell_length_b 11.42723405
_cell_length_c 12.455723
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000031
_space_grou... | data_image0
_chemical_formula_structural K2Ba6Ca8V14Cu6O56
_chemical_formula_sum "K2 Ba6 Ca8 V14 Cu6 O56"
_cell_length_a 11.42723405
_cell_length_b 11.42723405
_cell_length_c 12.455723
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000031
_space_grou... |
RotateAroundAtomAction | b5f1741f-cc5f-42f3-8150-64e2cbfa266b | mp-1202750 | Rotate all surrounding atoms within 3.354 angstrom of the center atom at index 1 by 52.931 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... |
RotateAroundAtomAction | 03bc65b9-fc91-4cf6-af31-a0d8e333dd94 | mp-1104719 | Rotate all surrounding atoms within 2.881 angstrom of the center atom at index 10 by 154.78 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural GdAl8Fe4
_chemical_formula_sum "Gd1 Al8 Fe4"
_cell_length_a 5.103752
_cell_length_b 6.78118467
_cell_length_c 6.78118467
_cell_angle_alpha 81.85871374
_cell_angle_beta 67.89425664
_cell_angle_gamma 67.89425664
_space_group_name_H-M... | data_image0
_chemical_formula_structural GdAl8Fe4
_chemical_formula_sum "Gd1 Al8 Fe4"
_cell_length_a 5.103752
_cell_length_b 6.78118467
_cell_length_c 6.78118467
_cell_angle_alpha 81.85871374
_cell_angle_beta 67.89425664
_cell_angle_gamma 67.89425664
_space_group_name_H-M... |
RotateAroundAtomAction | a6775e6e-934d-4abe-81b9-2fed646ee212 | mp-1196042 | Rotate all surrounding atoms within 2.353 angstrom of the center atom at index 64 by 136.092 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... |
RotateAroundAtomAction | bb379d7a-b0e0-4867-afca-023c3d77d6e6 | mp-1347506 | Rotate all surrounding atoms within 3.633 angstrom of the center atom at index 19 by 248.677 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12
_chemical_formula_sum "Mg4 Cu2 Ir2 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12
_chemical_formula_sum "Mg4 Cu2 Ir2 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 0a88ff38-1c09-4135-b422-79a5663de930 | mp-777558 | Rotate all surrounding atoms within 3.991 angstrom of the center atom at index 81 by 89.594 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li32Ti3Cr13O48
_chemical_formula_sum "Li32 Ti3 Cr13 O48"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_space_g... | data_image0
_chemical_formula_structural Li32Ti3Cr13O48
_chemical_formula_sum "Li32 Ti3 Cr13 O48"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_space_g... |
RotateAroundAtomAction | 7afc3203-da89-4cba-ab03-f82b6de28bfb | mp-1080028 | Rotate all surrounding atoms within 2.912 angstrom of the center atom at index 1 by 220.977 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | 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... |
RotateAroundAtomAction | aafc0610-b6f0-4133-bc08-96b09e5a5840 | mp-1175073 | Rotate all surrounding atoms within 3.983 angstrom of the center atom at index 13 by 133.391 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 8.813284
_cell_length_b 5.034429
_cell_length_c 5.11380087
_cell_angle_alpha 70.78771484
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 8.813284
_cell_length_b 5.034429
_cell_length_c 5.11380087
_cell_angle_alpha 70.78771484
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 6efc22ea-a350-47dd-a676-caa9f2f74f7e | mp-1228475 | Rotate all surrounding atoms within 3.352 angstrom of the center atom at index 35 by 164.579 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 5ee90506-7a8d-42ec-84de-40069705cec5 | mp-505638 | Rotate all surrounding atoms within 2.921 angstrom of the center atom at index 16 by 240.712 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Tb12Cr4Se24
_chemical_formula_sum "Tb12 Cr4 Se24"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_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 Tb12Cr4Se24
_chemical_formula_sum "Tb12 Cr4 Se24"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
RotateAroundAtomAction | abd303f3-6711-4293-bec4-b0e644718204 | mp-2227274 | Rotate all surrounding atoms within 3.817 angstrom of the center atom at index 8 by 206.044 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... | data_image0
_chemical_formula_structural MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... |
RotateAroundAtomAction | 846b4fd9-0dd6-44e5-b4e7-d4ad51fdafc4 | mp-773104 | Rotate all surrounding atoms within 3.493 angstrom of the center atom at index 30 by 60.761 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sr24Fe16O55
_chemical_formula_sum "Sr24 Fe16 O55"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.50833022000002
_spa... | data_image0
_chemical_formula_structural Sr24Fe16O55
_chemical_formula_sum "Sr24 Fe16 O55"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.50833022000002
_spa... |
RotateAroundAtomAction | 7cd75d9d-b9ca-4dd2-88e9-f3493296167b | mp-1644899 | Rotate all surrounding atoms within 2.849 angstrom of the center atom at index 6 by 121.634 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... |
RotateAroundAtomAction | 406a5c26-3fcf-44b2-8c7c-eb38549e4024 | mp-1183955 | Rotate all surrounding atoms within 3.518 angstrom of the center atom at index 3 by 223.229 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Cs4H4S4
_chemical_formula_sum "Cs4 H4 S4"
_cell_length_a 7.45097573
_cell_length_b 7.45097573
_cell_length_c 7.45097573
_cell_angle_alpha 112.21452372999998
_cell_angle_beta 112.21452372999998
_cell_angle_gamma 104.11382687999999
_... | data_image0
_chemical_formula_structural Cs4H4S4
_chemical_formula_sum "Cs4 H4 S4"
_cell_length_a 7.45097573
_cell_length_b 7.45097573
_cell_length_c 7.45097573
_cell_angle_alpha 112.21452372999998
_cell_angle_beta 112.21452372999998
_cell_angle_gamma 104.11382687999999
_... |
RotateAroundAtomAction | 96c81f6c-a913-486f-980e-798a798bebe4 | mp-770517 | Rotate all surrounding atoms within 3.618 angstrom of the center atom at index 9 by 295.823 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li36Al4Ni8O32
_chemical_formula_sum "Li36 Al4 Ni8 O32"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_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 Li36Al4Ni8O32
_chemical_formula_sum "Li36 Al4 Ni8 O32"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
RotateAroundAtomAction | ac6d10ad-0ee3-42e1-b7bb-607fcd6be5fa | mp-1226835 | Rotate all surrounding atoms within 3.819 angstrom of the center atom at index 7 by 120.829 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ce4Al6Ru2
_chemical_formula_sum "Ce4 Al6 Ru2"
_cell_length_a 5.57111515
_cell_length_b 5.57111515
_cell_length_c 8.774832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998989000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ce4Al6Ru2
_chemical_formula_sum "Ce4 Al6 Ru2"
_cell_length_a 5.57111515
_cell_length_b 5.57111515
_cell_length_c 8.774832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998989000001
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 5e2d38be-90f4-411e-a8d0-af6352801f19 | mp-1182591 | Rotate all surrounding atoms within 3.559 angstrom of the center atom at index 5 by 231.691 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ho3Sn7
_chemical_formula_sum "Ho3 Sn7"
_cell_length_a 14.33178552
_cell_length_b 14.33178552
_cell_length_c 44.53407
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 167.95461124999997
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ho3Sn7
_chemical_formula_sum "Ho3 Sn7"
_cell_length_a 14.33178552
_cell_length_b 14.33178552
_cell_length_c 44.53407
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 167.95461124999997
_space_group_name_H-M_alt "P ... |
RotateAroundAtomAction | 32f1c629-aa4a-4c71-9371-ceaa3d88c48b | mp-2526683 | Rotate all surrounding atoms within 2.171 angstrom of the center atom at index 7 by 114.696 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... |
RotateAroundAtomAction | 1015c1ac-0777-4a86-817b-8ec1fa5aee50 | mp-1245329 | Rotate all surrounding atoms within 2.796 angstrom of the center atom at index 7 by 199.39 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.34094743
_cell_length_b 12.19680335
_cell_length_c 12.54310877
_cell_angle_alpha 93.1688471
_cell_angle_beta 88.2789353
_cell_angle_gamma 85.34718162
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.34094743
_cell_length_b 12.19680335
_cell_length_c 12.54310877
_cell_angle_alpha 93.1688471
_cell_angle_beta 88.2789353
_cell_angle_gamma 85.34718162
_space_group_name_H-M_... |
RotateAroundAtomAction | 7e28294c-c1e6-4eeb-8692-d6ca258c1887 | mp-568040 | Rotate all surrounding atoms within 3.902 angstrom of the center atom at index 1 by 148.274 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural La2AlNi9
_chemical_formula_sum "La2 Al1 Ni9"
_cell_length_a 4.95176912
_cell_length_b 4.95172729
_cell_length_c 7.98725521
_cell_angle_alpha 90.00047588
_cell_angle_beta 89.99951776
_cell_angle_gamma 119.08056806
_space_group_name_... | data_image0
_chemical_formula_structural La2AlNi9
_chemical_formula_sum "La2 Al1 Ni9"
_cell_length_a 4.95176912
_cell_length_b 4.95172729
_cell_length_c 7.98725521
_cell_angle_alpha 90.00047588
_cell_angle_beta 89.99951776
_cell_angle_gamma 119.08056806
_space_group_name_... |
RotateAroundAtomAction | a72d2877-f516-4748-9d14-1adcac38e49f | mp-1234087 | Rotate all surrounding atoms within 1.787 angstrom of the center atom at index 32 by 110.132 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural MgMn4Cu2P6O24
_chemical_formula_sum "Mg1 Mn4 Cu2 P6 O24"
_cell_length_a 8.35917693
_cell_length_b 8.30749622
_cell_length_c 9.38006093
_cell_angle_alpha 59.20311101
_cell_angle_beta 58.79414886
_cell_angle_gamma 62.36155787999999
_... | data_image0
_chemical_formula_structural MgMn4Cu2P6O24
_chemical_formula_sum "Mg1 Mn4 Cu2 P6 O24"
_cell_length_a 8.35917693
_cell_length_b 8.30749622
_cell_length_c 9.38006093
_cell_angle_alpha 59.20311101
_cell_angle_beta 58.79414886
_cell_angle_gamma 62.36155787999999
_... |
RotateAroundAtomAction | 508b540d-df5b-402a-9c0e-326ff17569ac | mp-17177 | Rotate all surrounding atoms within 3.148 angstrom of the center atom at index 11 by 175.649 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Nb8Zn4O24
_chemical_formula_sum "Nb8 Zn4 O24"
_cell_length_a 5.05574439
_cell_length_b 5.76456888
_cell_length_c 14.2852666
_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 Nb8Zn4O24
_chemical_formula_sum "Nb8 Zn4 O24"
_cell_length_a 5.05574439
_cell_length_b 5.76456888
_cell_length_c 14.2852666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
RotateAroundAtomAction | 82f0ada2-2e93-4ae9-ba16-1f9f55f88523 | mp-24064 | Rotate all surrounding atoms within 1.806 angstrom of the center atom at index 12 by 210.154 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural P4H4F8
_chemical_formula_sum "P4 H4 F8"
_cell_length_a 4.68248
_cell_length_b 6.537462
_cell_length_c 8.127723
_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 P4H4F8
_chemical_formula_sum "P4 H4 F8"
_cell_length_a 4.68248
_cell_length_b 6.537462
_cell_length_c 8.127723
_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... |
RotateAroundAtomAction | 4c7ba7e5-059c-438b-ba7a-6a1aa319f308 | mp-1022213 | Rotate all surrounding atoms within 3.164 angstrom of the center atom at index 14 by 181.184 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg12Nb2Fe2
_chemical_formula_sum "Mg12 Nb2 Fe2"
_cell_length_a 4.830719
_cell_length_b 5.726148
_cell_length_c 10.908532
_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 Mg12Nb2Fe2
_chemical_formula_sum "Mg12 Nb2 Fe2"
_cell_length_a 4.830719
_cell_length_b 5.726148
_cell_length_c 10.908532
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
RotateAroundAtomAction | 8f24cbe7-cb5f-4ba5-8f0d-37252b3545ee | mp-1112234 | Rotate all surrounding atoms within 2.887 angstrom of the center atom at index 9 by 234.838 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural K2GaHgF6
_chemical_formula_sum "K2 Ga1 Hg1 F6"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural K2GaHgF6
_chemical_formula_sum "K2 Ga1 Hg1 F6"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... |
RotateAroundAtomAction | 9e7a9b98-8081-44d5-964c-d9ea67168efb | mp-607816 | Rotate all surrounding atoms within 2.768 angstrom of the center atom at index 8 by 235.81 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural U4Fe4Ge4
_chemical_formula_sum "U4 Fe4 Ge4"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U4Fe4Ge4
_chemical_formula_sum "U4 Fe4 Ge4"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 3662b98b-613f-482a-9c21-6dc0d7b02684 | mp-1043054 | Rotate all surrounding atoms within 3.133 angstrom of the center atom at index 44 by 181.74 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ti4Zn4Ni4P8O36
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O36"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_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 Ti4Zn4Ni4P8O36
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O36"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
RotateAroundAtomAction | b9bab093-6420-4d69-8a90-1f59550831f3 | mp-1195664 | Rotate all surrounding atoms within 2.221 angstrom of the center atom at index 34 by 188.155 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sr8P28Br4
_chemical_formula_sum "Sr8 P28 Br4"
_cell_length_a 9.88982955
_cell_length_b 9.88982955
_cell_length_c 9.88982955
_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 Sr8P28Br4
_chemical_formula_sum "Sr8 P28 Br4"
_cell_length_a 9.88982955
_cell_length_b 9.88982955
_cell_length_c 9.88982955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
RotateAroundAtomAction | e09608be-f4a0-4f52-b6f0-38dde2e2b8f7 | mp-28355 | Rotate all surrounding atoms within 3.932 angstrom of the center atom at index 16 by 106.886 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na8Ge4Se10
_chemical_formula_sum "Na8 Ge4 Se10"
_cell_length_a 7.06809904
_cell_length_b 8.08216366
_cell_length_c 10.67419123
_cell_angle_alpha 73.4154392
_cell_angle_beta 70.84239573
_cell_angle_gamma 81.69456103000002
_space_gro... | data_image0
_chemical_formula_structural Na8Ge4Se10
_chemical_formula_sum "Na8 Ge4 Se10"
_cell_length_a 7.06809904
_cell_length_b 8.08216366
_cell_length_c 10.67419123
_cell_angle_alpha 73.4154392
_cell_angle_beta 70.84239573
_cell_angle_gamma 81.69456103000002
_space_gro... |
RotateAroundAtomAction | 116983ef-d1e7-434b-ba9d-69c199fc5bde | mp-755078 | Rotate all surrounding atoms within 2.316 angstrom of the center atom at index 19 by 181.884 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sr2Ti6N2O11
_chemical_formula_sum "Sr2 Ti6 N2 O11"
_cell_length_a 7.80399505
_cell_length_b 7.803995049999999
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamma 28.587452199999998
... | data_image0
_chemical_formula_structural Sr2Ti6N2O11
_chemical_formula_sum "Sr2 Ti6 N2 O11"
_cell_length_a 7.80399505
_cell_length_b 7.803995049999999
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamma 28.587452199999998
... |
RotateAroundAtomAction | 4fb9e0d5-b7cb-4bd1-9faa-f6a8cf41c38e | mp-2218385 | Rotate all surrounding atoms within 2.753 angstrom of the center atom at index 7 by 187.943 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural MgMn4O4F4
_chemical_formula_sum "Mg1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... | data_image0
_chemical_formula_structural MgMn4O4F4
_chemical_formula_sum "Mg1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... |
RotateAroundAtomAction | 21ad40e6-e8f6-4e0a-bda3-1f1b7168cfc5 | mp-568987 | Rotate all surrounding atoms within 2.535 angstrom of the center atom at index 7 by 238.868 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na4Be2H8
_chemical_formula_sum "Na4 Be2 H8"
_cell_length_a 4.93980793
_cell_length_b 5.00562814
_cell_length_c 6.68633571
_cell_angle_alpha 100.78364298000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Be2H8
_chemical_formula_sum "Na4 Be2 H8"
_cell_length_a 4.93980793
_cell_length_b 5.00562814
_cell_length_c 6.68633571
_cell_angle_alpha 100.78364298000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 4c041bc6-d40f-4e49-a19e-534b7bce83b1 | mp-1188599 | Rotate all surrounding atoms within 3.698 angstrom of the center atom at index 19 by 248.358 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Gd6Sb8Au6
_chemical_formula_sum "Gd6 Sb8 Au6"
_cell_length_a 8.66466557
_cell_length_b 8.66466557
_cell_length_c 8.66466557
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... | data_image0
_chemical_formula_structural Gd6Sb8Au6
_chemical_formula_sum "Gd6 Sb8 Au6"
_cell_length_a 8.66466557
_cell_length_b 8.66466557
_cell_length_c 8.66466557
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... |
RotateAroundAtomAction | 6a3fe510-d4cb-45e9-a6e3-48b240a086d0 | mp-1214189 | Rotate all surrounding atoms within 1.917 angstrom of the center atom at index 17 by 259.394 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Be6Si6C8S2O24
_chemical_formula_sum "Be6 Si6 C8 S2 O24"
_cell_length_a 8.021437
_cell_length_b 8.021437
_cell_length_c 8.021437
_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 Be6Si6C8S2O24
_chemical_formula_sum "Be6 Si6 C8 S2 O24"
_cell_length_a 8.021437
_cell_length_b 8.021437
_cell_length_c 8.021437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
RotateAroundAtomAction | 82232ce7-cd61-4062-b958-0bd25c0b69e6 | mp-981356 | Rotate all surrounding atoms within 2.982 angstrom of the center atom at index 3 by 193.461 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural ZrFe6Ge6
_chemical_formula_sum "Zr1 Fe6 Ge6"
_cell_length_a 5.06194756
_cell_length_b 5.06194905
_cell_length_c 8.16529384
_cell_angle_alpha 89.99999802
_cell_angle_beta 90.00000047999998
_cell_angle_gamma 119.99898177999998
_space... | data_image0
_chemical_formula_structural ZrFe6Ge6
_chemical_formula_sum "Zr1 Fe6 Ge6"
_cell_length_a 5.06194756
_cell_length_b 5.06194905
_cell_length_c 8.16529384
_cell_angle_alpha 89.99999802
_cell_angle_beta 90.00000047999998
_cell_angle_gamma 119.99898177999998
_space... |
RotateAroundAtomAction | bdce29c8-b0f4-4162-b9bd-ee1ebf4ade62 | mp-697575 | Rotate all surrounding atoms within 2.557 angstrom of the center atom at index 19 by 80.931 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
RotateAroundAtomAction | 428d3951-cc05-4886-9c80-f55f463e48ec | mp-1233200 | Rotate all surrounding atoms within 2.594 angstrom of the center atom at index 13 by 69.827 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural MgMn6O4F8
_chemical_formula_sum "Mg1 Mn6 O4 F8"
_cell_length_a 5.30340774
_cell_length_b 8.03750096
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38871773
_cell_angle_gamma 84.53706938
_space_group_nam... | data_image0
_chemical_formula_structural MgMn6O4F8
_chemical_formula_sum "Mg1 Mn6 O4 F8"
_cell_length_a 5.30340774
_cell_length_b 8.03750096
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38871773
_cell_angle_gamma 84.53706938
_space_group_nam... |
RotateAroundAtomAction | 7d121021-2ea5-4cff-834c-649df8c2c394 | mp-1179727 | Rotate all surrounding atoms within 2.453 angstrom of the center atom at index 83 by 121.559 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Rh12S12Cl60
_chemical_formula_sum "Rh12 S12 Cl60"
_cell_length_a 13.90672218
_cell_length_b 13.906722179999997
_cell_length_c 27.499011849999995
_cell_angle_alpha 61.931675529999985
_cell_angle_beta 61.93167552999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Rh12S12Cl60
_chemical_formula_sum "Rh12 S12 Cl60"
_cell_length_a 13.90672218
_cell_length_b 13.906722179999997
_cell_length_c 27.499011849999995
_cell_angle_alpha 61.931675529999985
_cell_angle_beta 61.93167552999999
_cell_angle_gamma ... |
RotateAroundAtomAction | c0a252a8-0aab-4570-8bb7-5cb709bcf396 | mp-1215706 | Rotate all surrounding atoms within 2.985 angstrom of the center atom at index 0 by 191.594 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural ZnCuW2O8
_chemical_formula_sum "Zn1 Cu1 W2 O8"
_cell_length_a 4.745246
_cell_length_b 5.01087319
_cell_length_c 5.88285058
_cell_angle_alpha 88.3537652
_cell_angle_beta 86.01154898000001
_cell_angle_gamma 87.1501431
_space_group_na... | data_image0
_chemical_formula_structural ZnCuW2O8
_chemical_formula_sum "Zn1 Cu1 W2 O8"
_cell_length_a 4.745246
_cell_length_b 5.01087319
_cell_length_c 5.88285058
_cell_angle_alpha 88.3537652
_cell_angle_beta 86.01154898000001
_cell_angle_gamma 87.1501431
_space_group_na... |
RotateAroundAtomAction | 2835a859-b391-47f9-bffb-3b29526a48cb | mp-771831 | Rotate all surrounding atoms within 3.811 angstrom of the center atom at index 25 by 251.862 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sr8La4Cl28
_chemical_formula_sum "Sr8 La4 Cl28"
_cell_length_a 13.353074
_cell_length_b 7.20691
_cell_length_c 12.51469174
_cell_angle_alpha 88.74568879999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr8La4Cl28
_chemical_formula_sum "Sr8 La4 Cl28"
_cell_length_a 13.353074
_cell_length_b 7.20691
_cell_length_c 12.51469174
_cell_angle_alpha 88.74568879999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 0cf50be1-075a-43b7-8145-123e39b0a21e | mp-1233037 | Rotate all surrounding atoms within 3.46 angstrom of the center atom at index 7 by 153.692 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural CaTb4Al2Fe2O12
_chemical_formula_sum "Ca1 Tb4 Al2 Fe2 O12"
_cell_length_a 6.14280864
_cell_length_b 6.25456642
_cell_length_c 7.08114982
_cell_angle_alpha 89.64869534
_cell_angle_beta 85.5275652
_cell_angle_gamma 91.98623958
_space... | data_image0
_chemical_formula_structural CaTb4Al2Fe2O12
_chemical_formula_sum "Ca1 Tb4 Al2 Fe2 O12"
_cell_length_a 6.14280864
_cell_length_b 6.25456642
_cell_length_c 7.08114982
_cell_angle_alpha 89.64869534
_cell_angle_beta 85.5275652
_cell_angle_gamma 91.98623958
_space... |
RotateAroundAtomAction | 5097abd4-b4d8-455c-9ba6-5732e8516253 | mp-558219 | Rotate all surrounding atoms within 3.778 angstrom of the center atom at index 15 by 306.395 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sr2Li2B6S12
_chemical_formula_sum "Sr2 Li2 B6 S12"
_cell_length_a 8.73321635
_cell_length_b 8.73321635
_cell_length_c 8.07059009
_cell_angle_alpha 66.73283703
_cell_angle_beta 66.73283703
_cell_angle_gamma 60.35373061
_space_group_... | data_image0
_chemical_formula_structural Sr2Li2B6S12
_chemical_formula_sum "Sr2 Li2 B6 S12"
_cell_length_a 8.73321635
_cell_length_b 8.73321635
_cell_length_c 8.07059009
_cell_angle_alpha 66.73283703
_cell_angle_beta 66.73283703
_cell_angle_gamma 60.35373061
_space_group_... |
RotateAroundAtomAction | e981c104-74d4-4382-8629-20e559aa9c45 | mp-1173973 | Rotate all surrounding atoms within 2.096 angstrom of the center atom at index 5 by 117.419 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li5Mn2CoO8
_chemical_formula_sum "Li5 Mn2 Co1 O8"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431964
_... | data_image0
_chemical_formula_structural Li5Mn2CoO8
_chemical_formula_sum "Li5 Mn2 Co1 O8"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431964
_... |
RotateAroundAtomAction | d28168ed-fc7a-4bfa-ade7-7b26c072650b | mp-1049235 | Rotate all surrounding atoms within 3.971 angstrom of the center atom at index 6 by 313.779 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural La2Ta2Zn2Cr2O12
_chemical_formula_sum "La2 Ta2 Zn2 Cr2 O12"
_cell_length_a 5.725048
_cell_length_b 5.422845
_cell_length_c 10.00285536
_cell_angle_alpha 58.01628817999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural La2Ta2Zn2Cr2O12
_chemical_formula_sum "La2 Ta2 Zn2 Cr2 O12"
_cell_length_a 5.725048
_cell_length_b 5.422845
_cell_length_c 10.00285536
_cell_angle_alpha 58.01628817999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
RotateAroundAtomAction | 32b1ed91-3562-4bfd-a071-501199c8636a | mp-572465 | Rotate all surrounding atoms within 3.541 angstrom of the center atom at index 36 by 137.276 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | e71c8fb4-9aac-4716-a0ef-59d153e8ae6f | mp-1188256 | Rotate all surrounding atoms within 2.617 angstrom of the center atom at index 19 by 294.017 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural U4Ni4Se12
_chemical_formula_sum "U4 Ni4 Se12"
_cell_length_a 6.255074
_cell_length_b 7.38731
_cell_length_c 8.8402
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... | data_image0
_chemical_formula_structural U4Ni4Se12
_chemical_formula_sum "U4 Ni4 Se12"
_cell_length_a 6.255074
_cell_length_b 7.38731
_cell_length_c 8.8402
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... |
RotateAroundAtomAction | 3b8d987f-e412-4090-9f8f-5bfd314301f7 | mp-1201935 | Rotate all surrounding atoms within 2.788 angstrom of the center atom at index 44 by 140.877 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | 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... |
RotateAroundAtomAction | 00a5d0da-bfd9-412c-add7-23d168a7b835 | mp-8762 | Rotate all surrounding atoms within 3.943 angstrom of the center atom at index 17 by 244.477 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
RotateAroundAtomAction | baee9de4-9852-481a-8faf-dc366f348f1a | mp-1195020 | Rotate all surrounding atoms within 3.759 angstrom of the center atom at index 17 by 164.315 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | 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 ... |
RotateAroundAtomAction | 9dcadaa0-a460-4bea-a2f3-5c08edc00475 | mp-756349 | Rotate all surrounding atoms within 3.351 angstrom of the center atom at index 23 by 71.209 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mn3CuP4O16
_chemical_formula_sum "Mn3 Cu1 P4 O16"
_cell_length_a 6.009187
_cell_length_b 4.904914
_cell_length_c 9.82965348
_cell_angle_alpha 89.21079258
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Mn3CuP4O16
_chemical_formula_sum "Mn3 Cu1 P4 O16"
_cell_length_a 6.009187
_cell_length_b 4.904914
_cell_length_c 9.82965348
_cell_angle_alpha 89.21079258
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
RotateAroundAtomAction | 93d638e0-ab3a-4bc6-9619-e2df55a743fc | mp-1328951 | Rotate all surrounding atoms within 2.132 angstrom of the center atom at index 43 by 95.11 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ta8Mn4Zn4O32
_chemical_formula_sum "Ta8 Mn4 Zn4 O32"
_cell_length_a 5.0959081
_cell_length_b 5.74841374
_cell_length_c 19.66740339
_cell_angle_alpha 90.00850828
_cell_angle_beta 83.7842863
_cell_angle_gamma 90.00567482000001
_space... | data_image0
_chemical_formula_structural Ta8Mn4Zn4O32
_chemical_formula_sum "Ta8 Mn4 Zn4 O32"
_cell_length_a 5.0959081
_cell_length_b 5.74841374
_cell_length_c 19.66740339
_cell_angle_alpha 90.00850828
_cell_angle_beta 83.7842863
_cell_angle_gamma 90.00567482000001
_space... |
RotateAroundAtomAction | 54bd37a4-1750-4764-846f-f9b1f6b0a48b | mp-1245786 | Rotate all surrounding atoms within 3.422 angstrom of the center atom at index 15 by 51.344 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | 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_... |
RotateAroundAtomAction | 1c493e14-d885-4f91-8d8b-4518f5d0cbf5 | mp-753939 | Rotate all surrounding atoms within 3.668 angstrom of the center atom at index 18 by 144.361 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li4Sn4P4O16
_chemical_formula_sum "Li4 Sn4 P4 O16"
_cell_length_a 4.868779
_cell_length_b 7.169465
_cell_length_c 10.870271
_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 Li4Sn4P4O16
_chemical_formula_sum "Li4 Sn4 P4 O16"
_cell_length_a 4.868779
_cell_length_b 7.169465
_cell_length_c 10.870271
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
RotateAroundAtomAction | 605d72ac-8a38-4cd2-a7b3-1c8f1f17a280 | mp-752419 | Rotate all surrounding atoms within 3.924 angstrom of the center atom at index 0 by 311.033 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sr4Ca4I16
_chemical_formula_sum "Sr4 Ca4 I16"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sr4Ca4I16
_chemical_formula_sum "Sr4 Ca4 I16"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
RotateAroundAtomAction | 16751e72-b10c-467f-a66a-e57dafe98821 | mp-1026593 | Rotate all surrounding atoms within 3.881 angstrom of the center atom at index 3 by 260.781 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural CsMg14W
_chemical_formula_sum "Cs1 Mg14 W1"
_cell_length_a 6.45874453
_cell_length_b 6.458744000000001
_cell_length_c 10.66315161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000273999999
_space_group_name_H... | data_image0
_chemical_formula_structural CsMg14W
_chemical_formula_sum "Cs1 Mg14 W1"
_cell_length_a 6.45874453
_cell_length_b 6.458744000000001
_cell_length_c 10.66315161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000273999999
_space_group_name_H... |
RotateAroundAtomAction | 2e7b8fe4-703d-42ff-9747-8b80890905bb | mp-2753 | Rotate all surrounding atoms within 3.203 angstrom of the center atom at index 25 by 180.099 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Tl16S12
_chemical_formula_sum "Tl16 S12"
_cell_length_a 7.94340004
_cell_length_b 8.0359841
_cell_length_c 13.09186851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.42541076000002
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Tl16S12
_chemical_formula_sum "Tl16 S12"
_cell_length_a 7.94340004
_cell_length_b 8.0359841
_cell_length_c 13.09186851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.42541076000002
_space_group_name_H-M_alt "... |
RotateAroundAtomAction | b3b52681-5646-49e6-9d54-ce9c1d4256ed | mp-1201334 | Rotate all surrounding atoms within 3.367 angstrom of the center atom at index 4 by 265.601 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural NiH20PdC4N4O12
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural NiH20PdC4N4O12
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_group_n... |
RotateAroundAtomAction | 4bc5572c-70c9-4a32-99d7-9a818c4c5f76 | mp-1246366 | Rotate all surrounding atoms within 3.693 angstrom of the center atom at index 6 by 167.574 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Zr2Cr2Ag2S8
_chemical_formula_sum "Zr2 Cr2 Ag2 S8"
_cell_length_a 7.14491313
_cell_length_b 6.122022969999999
_cell_length_c 6.56542107
_cell_angle_alpha 92.21634455
_cell_angle_beta 89.99909616
_cell_angle_gamma 90.00027732999999
... | data_image0
_chemical_formula_structural Zr2Cr2Ag2S8
_chemical_formula_sum "Zr2 Cr2 Ag2 S8"
_cell_length_a 7.14491313
_cell_length_b 6.122022969999999
_cell_length_c 6.56542107
_cell_angle_alpha 92.21634455
_cell_angle_beta 89.99909616
_cell_angle_gamma 90.00027732999999
... |
RotateAroundAtomAction | 8acb308b-16a7-4d84-aef7-28e7dc9dbf78 | mp-756744 | Rotate all surrounding atoms within 3.125 angstrom of the center atom at index 11 by 263.086 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li6Co6B6O18
_chemical_formula_sum "Li6 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... | data_image0
_chemical_formula_structural Li6Co6B6O18
_chemical_formula_sum "Li6 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... |
RotateAroundAtomAction | 03c80279-1363-4e3d-8f21-3ecc17d10c11 | mp-1233814 | Rotate all surrounding atoms within 2.659 angstrom of the center atom at index 7 by 71.3 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural MgCr8P4O20
_chemical_formula_sum "Mg1 Cr8 P4 O20"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgCr8P4O20
_chemical_formula_sum "Mg1 Cr8 P4 O20"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 896f91bd-2cf2-4c70-95e5-55a6fed68775 | mp-6955 | Rotate all surrounding atoms within 2.142 angstrom of the center atom at index 14 by 62.505 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural K4Ge4N4O4
_chemical_formula_sum "K4 Ge4 N4 O4"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_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 K4Ge4N4O4
_chemical_formula_sum "K4 Ge4 N4 O4"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_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... |
RotateAroundAtomAction | c0fa497b-3716-4af2-a8bf-a1d2ca7bdd86 | mp-1046251 | Rotate all surrounding atoms within 2.861 angstrom of the center atom at index 19 by 236.476 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... |
RotateAroundAtomAction | c9a0eb17-7cc1-4a13-8b94-310f66cda07f | mp-1229067 | Rotate all surrounding atoms within 2.41 angstrom of the center atom at index 39 by 292.276 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ba10Y5Cu15O32
_chemical_formula_sum "Ba10 Y5 Cu15 O32"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma 90.372... | data_image0
_chemical_formula_structural Ba10Y5Cu15O32
_chemical_formula_sum "Ba10 Y5 Cu15 O32"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma 90.372... |
RotateAroundAtomAction | e9ec45f4-5206-4fc2-8bb8-7dcfe02eaab3 | mp-1275723 | Rotate all surrounding atoms within 3.829 angstrom of the center atom at index 2 by 81.735 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li6Mn2Co6O16
_chemical_formula_sum "Li6 Mn2 Co6 O16"
_cell_length_a 5.83741423
_cell_length_b 10.38384092
_cell_length_c 5.83229939
_cell_angle_alpha 90.40334955
_cell_angle_beta 61.76185674
_cell_angle_gamma 107.79446285
_space_gr... | data_image0
_chemical_formula_structural Li6Mn2Co6O16
_chemical_formula_sum "Li6 Mn2 Co6 O16"
_cell_length_a 5.83741423
_cell_length_b 10.38384092
_cell_length_c 5.83229939
_cell_angle_alpha 90.40334955
_cell_angle_beta 61.76185674
_cell_angle_gamma 107.79446285
_space_gr... |
RotateAroundAtomAction | 03f6d526-98b3-440a-9bf2-013aec4569ad | mp-1245067 | Rotate all surrounding atoms within 2.986 angstrom of the center atom at index 78 by 245.22 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Al100
_chemical_formula_sum "Al100"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_name_H... | data_image0
_chemical_formula_structural Al100
_chemical_formula_sum "Al100"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_name_H... |
RotateAroundAtomAction | b7a0c2fd-8076-418b-805c-e005ab774a54 | mp-1196375 | Rotate all surrounding atoms within 3.062 angstrom of the center atom at index 12 by 94.384 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Gd2Cd40Ni4
_chemical_formula_sum "Gd2 Cd40 Ni4"
_cell_length_a 11.16102435
_cell_length_b 11.16102435
_cell_length_c 11.16102435
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Gd2Cd40Ni4
_chemical_formula_sum "Gd2 Cd40 Ni4"
_cell_length_a 11.16102435
_cell_length_b 11.16102435
_cell_length_c 11.16102435
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
RotateAroundAtomAction | c63c5c09-1d54-4b48-b3c7-f54226bef8a6 | mp-754190 | Rotate all surrounding atoms within 2.418 angstrom of the center atom at index 10 by 79.631 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural VSb3P4O16
_chemical_formula_sum "V1 Sb3 P4 O16"
_cell_length_a 4.89385151
_cell_length_b 10.1710212
_cell_length_c 6.85555853
_cell_angle_alpha 89.95998115
_cell_angle_beta 90.15569799
_cell_angle_gamma 94.51696624
_space_group_nam... | data_image0
_chemical_formula_structural VSb3P4O16
_chemical_formula_sum "V1 Sb3 P4 O16"
_cell_length_a 4.89385151
_cell_length_b 10.1710212
_cell_length_c 6.85555853
_cell_angle_alpha 89.95998115
_cell_angle_beta 90.15569799
_cell_angle_gamma 94.51696624
_space_group_nam... |
RotateAroundAtomAction | 483442fb-8765-4316-ae7b-c6c8fdeea1cb | mp-1223453 | Rotate all surrounding atoms within 3.696 angstrom of the center atom at index 1 by 166.938 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | 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... |
RotateAroundAtomAction | 62875270-38be-4f6e-9c15-4ee40622d1c8 | mp-624221 | Rotate all surrounding atoms within 3.484 angstrom of the center atom at index 12 by 80.283 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | 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... |
RotateAroundAtomAction | 237a0021-57af-4015-a9e5-8b9aff3289cc | mp-1075928 | Rotate all surrounding atoms within 3.638 angstrom of the center atom at index 20 by 116.083 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sr4Ca4Co8O24
_chemical_formula_sum "Sr4 Ca4 Co8 O24"
_cell_length_a 7.659349
_cell_length_b 7.659349
_cell_length_c 7.657479
_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 Sr4Ca4Co8O24
_chemical_formula_sum "Sr4 Ca4 Co8 O24"
_cell_length_a 7.659349
_cell_length_b 7.659349
_cell_length_c 7.657479
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
RotateAroundAtomAction | a731bd86-2778-4be5-900c-909849a304b7 | mp-1518745 | Rotate all surrounding atoms within 3.469 angstrom of the center atom at index 0 by 252.996 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural SrEuFeBiO6
_chemical_formula_sum "Sr1 Eu1 Fe1 Bi1 O6"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural SrEuFeBiO6
_chemical_formula_sum "Sr1 Eu1 Fe1 Bi1 O6"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
RotateAroundAtomAction | 81035cea-2595-46cb-8290-ac34378594c4 | mp-2230833 | Rotate all surrounding atoms within 3.007 angstrom of the center atom at index 16 by 182.973 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural MgMnV4NiO12
_chemical_formula_sum "Mg1 Mn1 V4 Ni1 O12"
_cell_length_a 6.93014376
_cell_length_b 7.09159222
_cell_length_c 5.69975092
_cell_angle_alpha 73.78197267
_cell_angle_beta 109.36028362
_cell_angle_gamma 100.90286369
_space_... | data_image0
_chemical_formula_structural MgMnV4NiO12
_chemical_formula_sum "Mg1 Mn1 V4 Ni1 O12"
_cell_length_a 6.93014376
_cell_length_b 7.09159222
_cell_length_c 5.69975092
_cell_angle_alpha 73.78197267
_cell_angle_beta 109.36028362
_cell_angle_gamma 100.90286369
_space_... |
RotateAroundAtomAction | e8aa8e6c-e59f-49da-bd2d-86fb4f8c7f3f | mp-558681 | Rotate all surrounding atoms within 3.062 angstrom of the center atom at index 25 by 244.819 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_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 P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
RotateAroundAtomAction | 0353c912-ed53-4b07-85af-cc07c61667a9 | mp-1214888 | Rotate all surrounding atoms within 3.328 angstrom of the center atom at index 12 by 138.274 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... |
RotateAroundAtomAction | c67743ac-464a-472f-9388-ec30305f79d9 | mp-757167 | Rotate all surrounding atoms within 3.79 angstrom of the center atom at index 24 by 183.38 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li12Si6Ni6O24
_chemical_formula_sum "Li12 Si6 Ni6 O24"
_cell_length_a 5.01778106
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle_gamma 89.993... | data_image0
_chemical_formula_structural Li12Si6Ni6O24
_chemical_formula_sum "Li12 Si6 Ni6 O24"
_cell_length_a 5.01778106
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle_gamma 89.993... |
RotateAroundAtomAction | b6dc8212-4e84-4188-b651-58ce90bcfb9e | mp-1037899 | Rotate all surrounding atoms within 2.892 angstrom of the center atom at index 36 by 100.996 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural CaMg30NbO32
_chemical_formula_sum "Ca1 Mg30 Nb1 O32"
_cell_length_a 8.5899102
_cell_length_b 8.59776736
_cell_length_c 8.59776736
_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 CaMg30NbO32
_chemical_formula_sum "Ca1 Mg30 Nb1 O32"
_cell_length_a 8.5899102
_cell_length_b 8.59776736
_cell_length_c 8.59776736
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
RotateAroundAtomAction | f78d2f82-4637-408d-8809-e0b38c994863 | mp-1041312 | Rotate all surrounding atoms within 2.585 angstrom of the center atom at index 5 by 222.225 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural BaMn4O8
_chemical_formula_sum "Ba1 Mn4 O8"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaMn4O8
_chemical_formula_sum "Ba1 Mn4 O8"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_alt "... |
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