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 | ca5f8f1f-e6cd-43dc-899c-2e325f846003 | mp-561286 | Rotate all surrounding atoms within 3.118 angstrom of the center atom at index 17 by 54.254 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80866991
_cell_length_b 3.8086698999999995
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999998999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80866991
_cell_length_b 3.8086698999999995
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999998999999
_space_group_name_H-M... |
RotateAroundAtomAction | 17746a3d-9c4a-427b-975c-41dc68549eb3 | mp-861612 | Rotate all surrounding atoms within 2.827 angstrom of the center atom at index 16 by 116.601 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
RotateAroundAtomAction | 21a718ee-5bc2-4584-a658-b85fa89243a0 | mp-753290 | Rotate all surrounding atoms within 3.868 angstrom of the center atom at index 1 by 158.809 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Fe6O2F10
_chemical_formula_sum "Fe6 O2 F10"
_cell_length_a 4.782624
_cell_length_b 5.7936
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Fe6O2F10
_chemical_formula_sum "Fe6 O2 F10"
_cell_length_a 4.782624
_cell_length_b 5.7936
_cell_length_c 8.08691079
_cell_angle_alpha 87.82672841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
RotateAroundAtomAction | 95b8d105-2965-4400-aef8-011e5fee89e2 | mp-1521801 | Rotate all surrounding atoms within 3.454 angstrom of the center atom at index 9 by 102.501 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural CaPrZrFeO6
_chemical_formula_sum "Ca1 Pr1 Zr1 Fe1 O6"
_cell_length_a 5.71570775
_cell_length_b 5.71570775
_cell_length_c 5.715707749999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59... | data_image0
_chemical_formula_structural CaPrZrFeO6
_chemical_formula_sum "Ca1 Pr1 Zr1 Fe1 O6"
_cell_length_a 5.71570775
_cell_length_b 5.71570775
_cell_length_c 5.715707749999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59... |
RotateAroundAtomAction | 970e1a14-20e0-4ebf-b531-96bcde6117c0 | mp-1110828 | Rotate all surrounding atoms within 3.639 angstrom of the center atom at index 1 by 200.275 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... |
RotateAroundAtomAction | db5a7124-8126-471a-af42-62b783bab50f | mp-1193266 | Rotate all surrounding atoms within 3.517 angstrom of the center atom at index 20 by 97.883 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... |
RotateAroundAtomAction | d83852f3-3b98-4297-9855-416224c803fe | mp-1181370 | Rotate all surrounding atoms within 3.389 angstrom of the center atom at index 20 by 52.809 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural K3LuB2P2O14
_chemical_formula_sum "K3 Lu1 B2 P2 O14"
_cell_length_a 13.03214535
_cell_length_b 13.032145350000002
_cell_length_c 13.03214554
_cell_angle_alpha 24.943610690000014
_cell_angle_beta 24.943610690000014
_cell_angle_gamma ... | data_image0
_chemical_formula_structural K3LuB2P2O14
_chemical_formula_sum "K3 Lu1 B2 P2 O14"
_cell_length_a 13.03214535
_cell_length_b 13.032145350000002
_cell_length_c 13.03214554
_cell_angle_alpha 24.943610690000014
_cell_angle_beta 24.943610690000014
_cell_angle_gamma ... |
RotateAroundAtomAction | 5812d29c-e37b-4377-bc02-d984142b25be | mp-674329 | Rotate all surrounding atoms within 3.882 angstrom of the center atom at index 13 by 230.972 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural La4Cd2Te8
_chemical_formula_sum "La4 Cd2 Te8"
_cell_length_a 8.40221564
_cell_length_b 8.40221564
_cell_length_c 8.40221564
_cell_angle_alpha 111.27333268
_cell_angle_beta 111.27333268
_cell_angle_gamma 105.92416972999999
_space_gr... | data_image0
_chemical_formula_structural La4Cd2Te8
_chemical_formula_sum "La4 Cd2 Te8"
_cell_length_a 8.40221564
_cell_length_b 8.40221564
_cell_length_c 8.40221564
_cell_angle_alpha 111.27333268
_cell_angle_beta 111.27333268
_cell_angle_gamma 105.92416972999999
_space_gr... |
RotateAroundAtomAction | 57c718d0-c5b6-4775-976f-26a4a956f7b7 | mp-1196042 | Rotate all surrounding atoms within 3.14 angstrom of the center atom at index 1 by 150.076 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 | 9810393b-8612-45b9-8efb-0b241b69e151 | mp-1174239 | Rotate all surrounding atoms within 3.737 angstrom of the center atom at index 10 by 105.014 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... |
RotateAroundAtomAction | 2ef90e6c-cdb8-4064-a56d-a35134f74a0b | mp-772833 | Rotate all surrounding atoms within 2.301 angstrom of the center atom at index 16 by 244.359 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Y8Hf4O20
_chemical_formula_sum "Y8 Hf4 O20"
_cell_length_a 3.744459
_cell_length_b 10.754683
_cell_length_c 11.629666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Y8Hf4O20
_chemical_formula_sum "Y8 Hf4 O20"
_cell_length_a 3.744459
_cell_length_b 10.754683
_cell_length_c 11.629666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
RotateAroundAtomAction | edfcb458-1815-4828-a320-9cd8037093ab | mp-600078 | Rotate all surrounding atoms within 3.381 angstrom of the center atom at index 29 by 178.27 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... |
RotateAroundAtomAction | 9e358129-5d52-47fd-92c5-f9fb3cbcf3ff | mp-1412166 | Rotate all surrounding atoms within 3.18 angstrom of the center atom at index 13 by 138.682 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li2CoNi3O8
_chemical_formula_sum "Li2 Co1 Ni3 O8"
_cell_length_a 5.626273
_cell_length_b 5.69161376
_cell_length_c 5.8720833599999995
_cell_angle_alpha 61.09426030000001
_cell_angle_beta 61.373563539999985
_cell_angle_gamma 61.52003... | data_image0
_chemical_formula_structural Li2CoNi3O8
_chemical_formula_sum "Li2 Co1 Ni3 O8"
_cell_length_a 5.626273
_cell_length_b 5.69161376
_cell_length_c 5.8720833599999995
_cell_angle_alpha 61.09426030000001
_cell_angle_beta 61.373563539999985
_cell_angle_gamma 61.52003... |
RotateAroundAtomAction | 05fccea7-d43f-48fd-89c3-97ce5708f941 | mp-1033806 | Rotate all surrounding atoms within 2.432 angstrom of the center atom at index 13 by 200.557 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg14NbCO16
_chemical_formula_sum "Mg14 Nb1 C1 O16"
_cell_length_a 8.57804717
_cell_length_b 8.57804717
_cell_length_c 4.30450974
_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 Mg14NbCO16
_chemical_formula_sum "Mg14 Nb1 C1 O16"
_cell_length_a 8.57804717
_cell_length_b 8.57804717
_cell_length_c 4.30450974
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
RotateAroundAtomAction | 79b59315-f81e-4c71-b07d-468a0fc16279 | mp-530449 | Rotate all surrounding atoms within 3.144 angstrom of the center atom at index 89 by 209.933 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | 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 ... |
RotateAroundAtomAction | 25017d04-bbcd-48e1-8d6d-eb31fcb59f47 | mp-1105910 | Rotate all surrounding atoms within 2.612 angstrom of the center atom at index 9 by 118.615 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Pu2Zn17
_chemical_formula_sum "Pu2 Zn17"
_cell_length_a 6.73338651
_cell_length_b 6.730570040000001
_cell_length_c 6.7377318100000005
_cell_angle_alpha 82.71205549
_cell_angle_beta 82.65577715
_cell_angle_gamma 82.77235322
_space_g... | data_image0
_chemical_formula_structural Pu2Zn17
_chemical_formula_sum "Pu2 Zn17"
_cell_length_a 6.73338651
_cell_length_b 6.730570040000001
_cell_length_c 6.7377318100000005
_cell_angle_alpha 82.71205549
_cell_angle_beta 82.65577715
_cell_angle_gamma 82.77235322
_space_g... |
RotateAroundAtomAction | 15095e48-9762-4fd5-9f51-de97bda61944 | mp-2230615 | Rotate all surrounding atoms within 2.461 angstrom of the center atom at index 3 by 211.633 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural MgCo5SnO12
_chemical_formula_sum "Mg1 Co5 Sn1 O12"
_cell_length_a 5.16798225
_cell_length_b 5.06228585
_cell_length_c 10.05426768
_cell_angle_alpha 93.92568172
_cell_angle_beta 97.56611219000001
_cell_angle_gamma 59.34081011
_space... | data_image0
_chemical_formula_structural MgCo5SnO12
_chemical_formula_sum "Mg1 Co5 Sn1 O12"
_cell_length_a 5.16798225
_cell_length_b 5.06228585
_cell_length_c 10.05426768
_cell_angle_alpha 93.92568172
_cell_angle_beta 97.56611219000001
_cell_angle_gamma 59.34081011
_space... |
RotateAroundAtomAction | c2d92364-fb71-41ee-a4ac-415be1afe191 | mp-1033806 | Rotate all surrounding atoms within 3.13 angstrom of the center atom at index 13 by 254.743 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg14NbCO16
_chemical_formula_sum "Mg14 Nb1 C1 O16"
_cell_length_a 8.57804717
_cell_length_b 8.57804717
_cell_length_c 4.30450974
_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 Mg14NbCO16
_chemical_formula_sum "Mg14 Nb1 C1 O16"
_cell_length_a 8.57804717
_cell_length_b 8.57804717
_cell_length_c 4.30450974
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
RotateAroundAtomAction | cd9817e6-1bec-4bfa-8838-8e2811c5685c | mp-1647971 | Rotate all surrounding atoms within 1.482 angstrom of the center atom at index 15 by 73.254 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li2V2P8H8O28
_chemical_formula_sum "Li2 V2 P8 H8 O28"
_cell_length_a 7.32070403
_cell_length_b 9.72382835
_cell_length_c 8.3510766
_cell_angle_alpha 69.39754332
_cell_angle_beta 102.11270466
_cell_angle_gamma 76.94636353
_space_gro... | data_image0
_chemical_formula_structural Li2V2P8H8O28
_chemical_formula_sum "Li2 V2 P8 H8 O28"
_cell_length_a 7.32070403
_cell_length_b 9.72382835
_cell_length_c 8.3510766
_cell_angle_alpha 69.39754332
_cell_angle_beta 102.11270466
_cell_angle_gamma 76.94636353
_space_gro... |
RotateAroundAtomAction | 94ebef07-b200-4e5e-b174-42b69e9ffee9 | mp-1177033 | Rotate all surrounding atoms within 3.415 angstrom of the center atom at index 58 by 65.831 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li12Mn6V2P12O48
_chemical_formula_sum "Li12 Mn6 V2 P12 O48"
_cell_length_a 8.612399
_cell_length_b 8.7233025
_cell_length_c 12.37088277
_cell_angle_alpha 89.88344668
_cell_angle_beta 88.10445251
_cell_angle_gamma 89.83653874
_space... | data_image0
_chemical_formula_structural Li12Mn6V2P12O48
_chemical_formula_sum "Li12 Mn6 V2 P12 O48"
_cell_length_a 8.612399
_cell_length_b 8.7233025
_cell_length_c 12.37088277
_cell_angle_alpha 89.88344668
_cell_angle_beta 88.10445251
_cell_angle_gamma 89.83653874
_space... |
RotateAroundAtomAction | cb2ec5f3-ec37-4754-8e94-149a3551eca7 | mp-1218545 | Rotate all surrounding atoms within 3.899 angstrom of the center atom at index 15 by 298.66 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sr4V2As4O18
_chemical_formula_sum "Sr4 V2 As4 O18"
_cell_length_a 9.10983086
_cell_length_b 9.10983086
_cell_length_c 7.01112922
_cell_angle_alpha 77.75906716
_cell_angle_beta 77.75906716
_cell_angle_gamma 130.5502388
_space_group_... | data_image0
_chemical_formula_structural Sr4V2As4O18
_chemical_formula_sum "Sr4 V2 As4 O18"
_cell_length_a 9.10983086
_cell_length_b 9.10983086
_cell_length_c 7.01112922
_cell_angle_alpha 77.75906716
_cell_angle_beta 77.75906716
_cell_angle_gamma 130.5502388
_space_group_... |
RotateAroundAtomAction | ed477fd3-31e0-493f-95dc-c0f601ecddb0 | mp-1099923 | Rotate all surrounding atoms within 3.038 angstrom of the center atom at index 7 by 166.758 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural La7SmMn8O24
_chemical_formula_sum "La7 Sm1 Mn8 O24"
_cell_length_a 7.874413
_cell_length_b 7.874413
_cell_length_c 7.874413
_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 La7SmMn8O24
_chemical_formula_sum "La7 Sm1 Mn8 O24"
_cell_length_a 7.874413
_cell_length_b 7.874413
_cell_length_c 7.874413
_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 | 9daacf5c-3795-4c1c-80d8-34e8f8186031 | mp-686371 | Rotate all surrounding atoms within 2.402 angstrom of the center atom at index 85 by 172.292 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na11La7Th2Ti20O60
_chemical_formula_sum "Na11 La7 Th2 Ti20 O60"
_cell_length_a 5.508181
_cell_length_b 5.50865732
_cell_length_c 38.84190001
_cell_angle_alpha 89.94154169000001
_cell_angle_beta 89.97806375
_cell_angle_gamma 89.79483... | data_image0
_chemical_formula_structural Na11La7Th2Ti20O60
_chemical_formula_sum "Na11 La7 Th2 Ti20 O60"
_cell_length_a 5.508181
_cell_length_b 5.50865732
_cell_length_c 38.84190001
_cell_angle_alpha 89.94154169000001
_cell_angle_beta 89.97806375
_cell_angle_gamma 89.79483... |
RotateAroundAtomAction | 57a57891-86c5-431b-8104-bddd3ab4c84e | mp-2526683 | Rotate all surrounding atoms within 3.335 angstrom of the center atom at index 24 by 206.139 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 | 90f56a6f-c9fd-455e-a9a1-f8b9c20ce499 | mp-557062 | Rotate all surrounding atoms within 2.427 angstrom of the center atom at index 31 by 228.111 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80979322
_cell_length_b 3.80979259
_cell_length_c 62.26826173
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000055
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80979322
_cell_length_b 3.80979259
_cell_length_c 62.26826173
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000055
_space_group_name_H-M_alt "P 1"
_... |
RotateAroundAtomAction | 026a2fda-5243-4045-a5a1-ff1d5da52ce3 | mp-1175687 | Rotate all surrounding atoms within 2.514 angstrom of the center atom at index 2 by 79.979 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.880813
_cell_length_b 5.917467279999999
_cell_length_c 8.0958311
_cell_angle_alpha 90.34971058
_cell_angle_beta 90.97825040999999
_cell_angle_gamma 92.67047589
_... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.880813
_cell_length_b 5.917467279999999
_cell_length_c 8.0958311
_cell_angle_alpha 90.34971058
_cell_angle_beta 90.97825040999999
_cell_angle_gamma 92.67047589
_... |
RotateAroundAtomAction | 37c32107-8f64-4ee5-b0ed-fc238abbb353 | mp-2218162 | Rotate all surrounding atoms within 3.611 angstrom of the center atom at index 8 by 220.049 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural MgNbBi3O7
_chemical_formula_sum "Mg1 Nb1 Bi3 O7"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 60.4450... | data_image0
_chemical_formula_structural MgNbBi3O7
_chemical_formula_sum "Mg1 Nb1 Bi3 O7"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 60.4450... |
RotateAroundAtomAction | 7587b89d-d482-496e-861b-526c576918d3 | mp-782632 | Rotate all surrounding atoms within 2.849 angstrom of the center atom at index 59 by 233.497 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li8Ni8S16O64
_chemical_formula_sum "Li8 Ni8 S16 O64"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Ni8S16O64
_chemical_formula_sum "Li8 Ni8 S16 O64"
_cell_length_a 9.080037
_cell_length_b 9.220619
_cell_length_c 13.748078
_cell_angle_alpha 89.73866880999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
RotateAroundAtomAction | b38f8467-0b7a-4864-b223-1d6ad211f4f1 | mp-1046973 | Rotate all surrounding atoms within 2.444 angstrom of the center atom at index 9 by 103.082 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... |
RotateAroundAtomAction | 586d1682-69b0-497d-9b74-b41e3dd0b558 | mp-31279 | Rotate all surrounding atoms within 2.91 angstrom of the center atom at index 9 by 154.464 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Rb8P42I2
_chemical_formula_sum "Rb8 P42 I2"
_cell_length_a 12.96024821
_cell_length_b 12.960248209999998
_cell_length_c 9.86671281
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.32616321
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Rb8P42I2
_chemical_formula_sum "Rb8 P42 I2"
_cell_length_a 12.96024821
_cell_length_b 12.960248209999998
_cell_length_c 9.86671281
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.32616321
_space_group_name_H-M_al... |
RotateAroundAtomAction | 28f0c537-5e9c-4b38-9edf-42861472fa96 | mp-1516887 | Rotate all surrounding atoms within 3.101 angstrom of the center atom at index 8 by 230.629 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Eu2NiWO6
_chemical_formula_sum "Eu2 Ni1 W1 O6"
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Eu2NiWO6
_chemical_formula_sum "Eu2 Ni1 W1 O6"
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
RotateAroundAtomAction | 3a05bdd7-48ce-4a74-8ab1-25c31e7dada1 | mp-1208858 | Rotate all surrounding atoms within 3.154 angstrom of the center atom at index 6 by 279.772 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sr4Dy2Bi2O12
_chemical_formula_sum "Sr4 Dy2 Bi2 O12"
_cell_length_a 5.93815296
_cell_length_b 6.100788
_cell_length_c 8.48832362
_cell_angle_alpha 90.0
_cell_angle_beta 89.94245077999999
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sr4Dy2Bi2O12
_chemical_formula_sum "Sr4 Dy2 Bi2 O12"
_cell_length_a 5.93815296
_cell_length_b 6.100788
_cell_length_c 8.48832362
_cell_angle_alpha 90.0
_cell_angle_beta 89.94245077999999
_cell_angle_gamma 90.0
_space_group_name_H-M... |
RotateAroundAtomAction | 783a533f-eb0b-4885-badd-82ffec32d947 | mp-780241 | Rotate all surrounding atoms within 3.24 angstrom of the center atom at index 13 by 163.404 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na40Gd8O32
_chemical_formula_sum "Na40 Gd8 O32"
_cell_length_a 15.08398344
_cell_length_b 15.08398344
_cell_length_c 5.54635717
_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 Na40Gd8O32
_chemical_formula_sum "Na40 Gd8 O32"
_cell_length_a 15.08398344
_cell_length_b 15.08398344
_cell_length_c 5.54635717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
RotateAroundAtomAction | 8f16b840-558c-4ad1-886d-b4cf72bea8ae | mp-1213837 | Rotate all surrounding atoms within 3.204 angstrom of the center atom at index 4 by 250.584 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ce2Hf2F14
_chemical_formula_sum "Ce2 Hf2 F14"
_cell_length_a 5.82544217
_cell_length_b 6.23507996
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ce2Hf2F14
_chemical_formula_sum "Ce2 Hf2 F14"
_cell_length_a 5.82544217
_cell_length_b 6.23507996
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
RotateAroundAtomAction | 5bad8ce3-86f5-4e2d-aaf3-9926336ba236 | mp-1189474 | Rotate all surrounding atoms within 2.958 angstrom of the center atom at index 19 by 93.851 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Y14Rh6
_chemical_formula_sum "Y14 Rh6"
_cell_length_a 6.23865115
_cell_length_b 9.8140486
_cell_length_c 9.81488008
_cell_angle_alpha 120.00045369999998
_cell_angle_beta 90.00033233
_cell_angle_gamma 90.00091931000001
_space_group_... | data_image0
_chemical_formula_structural Y14Rh6
_chemical_formula_sum "Y14 Rh6"
_cell_length_a 6.23865115
_cell_length_b 9.8140486
_cell_length_c 9.81488008
_cell_angle_alpha 120.00045369999998
_cell_angle_beta 90.00033233
_cell_angle_gamma 90.00091931000001
_space_group_... |
RotateAroundAtomAction | 0a4b7610-05bd-410e-bb8d-90a8622542d7 | mp-1196849 | Rotate all surrounding atoms within 2.241 angstrom of the center atom at index 0 by 290.654 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Fe6W20C6
_chemical_formula_sum "Fe6 W20 C6"
_cell_length_a 7.91346189
_cell_length_b 7.91346189
_cell_length_c 8.059961
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Fe6W20C6
_chemical_formula_sum "Fe6 W20 C6"
_cell_length_a 7.91346189
_cell_length_b 7.91346189
_cell_length_c 8.059961
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909999998
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | a3150cac-b15d-4fbe-8420-f0d3ad4b6c6b | mp-15804 | Rotate all surrounding atoms within 3.047 angstrom of the center atom at index 8 by 284.256 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Yb4Mg2Se8
_chemical_formula_sum "Yb4 Mg2 Se8"
_cell_length_a 8.10794335
_cell_length_b 8.10794335
_cell_length_c 8.10794335
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Yb4Mg2Se8
_chemical_formula_sum "Yb4 Mg2 Se8"
_cell_length_a 8.10794335
_cell_length_b 8.10794335
_cell_length_c 8.10794335
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
RotateAroundAtomAction | 466b1cbf-fe41-4f22-8857-b427042211e1 | mp-756828 | Rotate all surrounding atoms within 2.369 angstrom of the center atom at index 5 by 192.862 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mn6O5F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 4.730811
_cell_length_b 5.72699204
_cell_length_c 7.87890331
_cell_angle_alpha 86.53429477
_cell_angle_beta 88.82132843999999
_cell_angle_gamma 88.81586131
_space_group_name_... | data_image0
_chemical_formula_structural Mn6O5F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 4.730811
_cell_length_b 5.72699204
_cell_length_c 7.87890331
_cell_angle_alpha 86.53429477
_cell_angle_beta 88.82132843999999
_cell_angle_gamma 88.81586131
_space_group_name_... |
RotateAroundAtomAction | a7beea08-09a1-4a6f-ad8f-395f88dd7ee3 | mp-23792 | Rotate all surrounding atoms within 1.669 angstrom of the center atom at index 10 by 140.933 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... |
RotateAroundAtomAction | d02855d5-2f7b-4320-afc7-613acb5c8b42 | mp-757379 | Rotate all surrounding atoms within 3.957 angstrom of the center atom at index 34 by 100.272 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural La9Mn9O30
_chemical_formula_sum "La9 Mn9 O30"
_cell_length_a 5.45732526
_cell_length_b 5.45531387
_cell_length_c 22.8585127
_cell_angle_alpha 96.96690671
_cell_angle_beta 89.49606072000002
_cell_angle_gamma 61.132153529999975
_spac... | data_image0
_chemical_formula_structural La9Mn9O30
_chemical_formula_sum "La9 Mn9 O30"
_cell_length_a 5.45732526
_cell_length_b 5.45531387
_cell_length_c 22.8585127
_cell_angle_alpha 96.96690671
_cell_angle_beta 89.49606072000002
_cell_angle_gamma 61.132153529999975
_spac... |
RotateAroundAtomAction | 42f1595a-8dbf-492f-a51e-b47b7a7d2cf2 | mp-1290409 | Rotate all surrounding atoms within 3.153 angstrom of the center atom at index 19 by 214.405 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | 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... |
RotateAroundAtomAction | 2f98b8a7-3389-49bd-8e10-85bffbcad6a1 | mp-770417 | Rotate all surrounding atoms within 1.574 angstrom of the center atom at index 13 by 70.384 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... |
RotateAroundAtomAction | c29607eb-89ac-4ab7-9a7a-7e5505b90fe5 | mp-1074681 | Rotate all surrounding atoms within 3.429 angstrom of the center atom at index 0 by 158.297 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.93236
_cell_length_b 5.96547598
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle_gamma 60.56001291999999
_space_group_name... | data_image0
_chemical_formula_structural Mg8Si4
_chemical_formula_sum "Mg8 Si4"
_cell_length_a 5.93236
_cell_length_b 5.96547598
_cell_length_c 8.00932459
_cell_angle_alpha 72.49366508999998
_cell_angle_beta 69.2499841
_cell_angle_gamma 60.56001291999999
_space_group_name... |
RotateAroundAtomAction | 22d84265-d853-48f1-9424-7533b047eb40 | mp-1175691 | Rotate all surrounding atoms within 3.336 angstrom of the center atom at index 19 by 232.426 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... |
RotateAroundAtomAction | e125cb3b-086d-4164-beee-b550baa952bd | mp-755078 | Rotate all surrounding atoms within 2.907 angstrom of the center atom at index 19 by 285.953 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural 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 | 45635e5d-abda-440e-b8e5-5c6c2c13a6ab | mp-1214285 | Rotate all surrounding atoms within 3.447 angstrom of the center atom at index 53 by 266.318 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | 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"
... |
RotateAroundAtomAction | 69dd0d15-dfd2-49c3-86b4-e710ec375cd8 | mp-754319 | Rotate all surrounding atoms within 2.851 angstrom of the center atom at index 4 by 140.517 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... | data_image0
_chemical_formula_structural Li3NbNi4O8
_chemical_formula_sum "Li3 Nb1 Ni4 O8"
_cell_length_a 5.968496
_cell_length_b 5.967901590000001
_cell_length_c 5.975774150000001
_cell_angle_alpha 88.89278859
_cell_angle_beta 119.40810863
_cell_angle_gamma 60.71838540000... |
RotateAroundAtomAction | 1bea8931-3937-4511-8737-e3e19675dd5c | mp-531566 | Rotate all surrounding atoms within 3.19 angstrom of the center atom at index 73 by 136.725 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural La16Mn14O48
_chemical_formula_sum "La16 Mn14 O48"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
_space... | data_image0
_chemical_formula_structural La16Mn14O48
_chemical_formula_sum "La16 Mn14 O48"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
_space... |
RotateAroundAtomAction | c17ec055-d2a8-44a1-87c1-ab805efeae62 | mp-30215 | Rotate all surrounding atoms within 3.761 angstrom of the center atom at index 41 by 222.446 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Pr12Mo4O28
_chemical_formula_sum "Pr12 Mo4 O28"
_cell_length_a 7.62193605
_cell_length_b 7.64154085
_cell_length_c 11.00557648
_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 Pr12Mo4O28
_chemical_formula_sum "Pr12 Mo4 O28"
_cell_length_a 7.62193605
_cell_length_b 7.64154085
_cell_length_c 11.00557648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
RotateAroundAtomAction | d3a6b820-8372-41f8-aba3-4ee94db795f3 | mp-1213761 | Rotate all surrounding atoms within 2.235 angstrom of the center atom at index 33 by 153.782 degree around the axis [ 0. 0. -1.] 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 | 7dfa38ad-5411-408d-a8a7-a7c5d169c734 | mp-1079648 | Rotate all surrounding atoms within 3.69 angstrom of the center atom at index 9 by 159.791 degree around the axis [0. 0. 1.] 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 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 4.204453
_cell_length_b 4.204453
_cell_length_c 10.180361
_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 | ca0dd0f3-0df5-43c1-ac5b-a218280a7bf7 | mp-1029069 | Rotate all surrounding atoms within 3.046 angstrom of the center atom at index 3 by 81.253 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mo2W2Se4S4
_chemical_formula_sum "Mo2 W2 Se4 S4"
_cell_length_a 3.25397747
_cell_length_b 3.25397747
_cell_length_c 36.880291
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998924
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mo2W2Se4S4
_chemical_formula_sum "Mo2 W2 Se4 S4"
_cell_length_a 3.25397747
_cell_length_b 3.25397747
_cell_length_c 36.880291
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998924
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | c8e51f04-1ce7-4c15-b005-0d0cb079e4b3 | mp-1516907 | Rotate all surrounding atoms within 3.322 angstrom of the center atom at index 2 by 172.485 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural KEuBiSbO6
_chemical_formula_sum "K1 Eu1 Bi1 Sb1 O6"
_cell_length_a 5.96919744
_cell_length_b 5.96919744
_cell_length_c 5.96919744
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.0000000000... | data_image0
_chemical_formula_structural KEuBiSbO6
_chemical_formula_sum "K1 Eu1 Bi1 Sb1 O6"
_cell_length_a 5.96919744
_cell_length_b 5.96919744
_cell_length_c 5.96919744
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.0000000000... |
RotateAroundAtomAction | e2425fa3-711a-4641-85a7-c89a9a126e3d | mp-504385 | Rotate all surrounding atoms within 3.832 angstrom of the center atom at index 23 by 134.259 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 284ae569-9237-44a4-b2ce-f2bbe735ff93 | mp-778828 | Rotate all surrounding atoms within 3.852 angstrom of the center atom at index 3 by 123.836 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mn6O10F2
_chemical_formula_sum "Mn6 O10 F2"
_cell_length_a 4.54121602
_cell_length_b 4.541216020000001
_cell_length_c 9.00405169
_cell_angle_alpha 89.64699227000001
_cell_angle_beta 89.64699227000001
_cell_angle_gamma 88.25421871
_... | data_image0
_chemical_formula_structural Mn6O10F2
_chemical_formula_sum "Mn6 O10 F2"
_cell_length_a 4.54121602
_cell_length_b 4.541216020000001
_cell_length_c 9.00405169
_cell_angle_alpha 89.64699227000001
_cell_angle_beta 89.64699227000001
_cell_angle_gamma 88.25421871
_... |
RotateAroundAtomAction | 02d9eae8-3943-4fe9-8dc6-ae71493e8e51 | mp-1228941 | Rotate all surrounding atoms within 3.616 angstrom of the center atom at index 9 by 150.123 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Al2Si6Ag2O16
_chemical_formula_sum "Al2 Si6 Ag2 O16"
_cell_length_a 7.279589
_cell_length_b 7.86335384
_cell_length_c 7.561559770000001
_cell_angle_alpha 115.16573898000001
_cell_angle_beta 100.59955147
_cell_angle_gamma 106.7870782... | data_image0
_chemical_formula_structural Al2Si6Ag2O16
_chemical_formula_sum "Al2 Si6 Ag2 O16"
_cell_length_a 7.279589
_cell_length_b 7.86335384
_cell_length_c 7.561559770000001
_cell_angle_alpha 115.16573898000001
_cell_angle_beta 100.59955147
_cell_angle_gamma 106.7870782... |
RotateAroundAtomAction | 72e9aad5-c458-4474-ac7c-09c9fc8d8e1d | mp-753838 | Rotate all surrounding atoms within 3.874 angstrom of the center atom at index 5 by 81.244 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li4Si4Ni4O14
_chemical_formula_sum "Li4 Si4 Ni4 O14"
_cell_length_a 5.073724
_cell_length_b 4.873180050000001
_cell_length_c 13.026503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.37091593000001
_space_group_n... | data_image0
_chemical_formula_structural Li4Si4Ni4O14
_chemical_formula_sum "Li4 Si4 Ni4 O14"
_cell_length_a 5.073724
_cell_length_b 4.873180050000001
_cell_length_c 13.026503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.37091593000001
_space_group_n... |
RotateAroundAtomAction | a4eec952-4d88-4bec-99d7-e2ee51068ccd | mp-1120783 | Rotate all surrounding atoms within 1.58 angstrom of the center atom at index 38 by 284.499 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Al30C30
_chemical_formula_sum "Al30 C30"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al30C30
_chemical_formula_sum "Al30 C30"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
RotateAroundAtomAction | 8a64a883-1443-43da-ad1b-da9e9083664f | mp-720430 | Rotate all surrounding atoms within 2.774 angstrom of the center atom at index 31 by 260.109 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ca2B6H14O18
_chemical_formula_sum "Ca2 B6 H14 O18"
_cell_length_a 6.522119
_cell_length_b 6.67307652
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_gamma 78.21790026000001
_space_gr... | data_image0
_chemical_formula_structural Ca2B6H14O18
_chemical_formula_sum "Ca2 B6 H14 O18"
_cell_length_a 6.522119
_cell_length_b 6.67307652
_cell_length_c 8.43280527
_cell_angle_alpha 86.77136285
_cell_angle_beta 89.31108647
_cell_angle_gamma 78.21790026000001
_space_gr... |
RotateAroundAtomAction | ccdd7cdf-d798-46cc-9772-a4f786151f10 | mp-850538 | Rotate all surrounding atoms within 2.464 angstrom of the center atom at index 15 by 148.252 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mn2Fe3SnP6O24
_chemical_formula_sum "Mn2 Fe3 Sn1 P6 O24"
_cell_length_a 8.67517235
_cell_length_b 8.67517235
_cell_length_c 8.67517196
_cell_angle_alpha 60.15159120999999
_cell_angle_beta 60.15159120999999
_cell_angle_gamma 60.15158... | data_image0
_chemical_formula_structural Mn2Fe3SnP6O24
_chemical_formula_sum "Mn2 Fe3 Sn1 P6 O24"
_cell_length_a 8.67517235
_cell_length_b 8.67517235
_cell_length_c 8.67517196
_cell_angle_alpha 60.15159120999999
_cell_angle_beta 60.15159120999999
_cell_angle_gamma 60.15158... |
RotateAroundAtomAction | 2f387cba-ae7e-4ce7-b4d4-0e9afbce34d7 | mp-1212478 | Rotate all surrounding atoms within 1.877 angstrom of the center atom at index 9 by 277.095 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural H12O8
_chemical_formula_sum "H12 O8"
_cell_length_a 4.34938881
_cell_length_b 6.333513859999999
_cell_length_c 6.33351386
_cell_angle_alpha 92.43761333
_cell_angle_beta 108.83358404
_cell_angle_gamma 108.83358404
_space_group_name_... | data_image0
_chemical_formula_structural H12O8
_chemical_formula_sum "H12 O8"
_cell_length_a 4.34938881
_cell_length_b 6.333513859999999
_cell_length_c 6.33351386
_cell_angle_alpha 92.43761333
_cell_angle_beta 108.83358404
_cell_angle_gamma 108.83358404
_space_group_name_... |
RotateAroundAtomAction | ed8a87c6-7f5b-496a-998f-efdaa33ba5b6 | mp-849612 | Rotate all surrounding atoms within 3.499 angstrom of the center atom at index 37 by 237.543 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li2Fe8B8O24
_chemical_formula_sum "Li2 Fe8 B8 O24"
_cell_length_a 5.257853
_cell_length_b 5.25818243
_cell_length_c 20.16227652
_cell_angle_alpha 89.95562184000002
_cell_angle_beta 90.19017187000001
_cell_angle_gamma 119.21702683000... | data_image0
_chemical_formula_structural Li2Fe8B8O24
_chemical_formula_sum "Li2 Fe8 B8 O24"
_cell_length_a 5.257853
_cell_length_b 5.25818243
_cell_length_c 20.16227652
_cell_angle_alpha 89.95562184000002
_cell_angle_beta 90.19017187000001
_cell_angle_gamma 119.21702683000... |
RotateAroundAtomAction | f024fb76-df3e-42bc-ae66-7658eeb4358d | mp-1239141 | Rotate all surrounding atoms within 3.633 angstrom of the center atom at index 13 by 195.775 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 12.195021
_cell_length_b 5.74575
_cell_length_c 8.92965446
_cell_angle_alpha 50.87768145
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 12.195021
_cell_length_b 5.74575
_cell_length_c 8.92965446
_cell_angle_alpha 50.87768145
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 5eb82e70-099b-4f19-8812-a099b13894b6 | mp-1193190 | Rotate all surrounding atoms within 2.89 angstrom of the center atom at index 1 by 98.156 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | f7f9c35e-fe55-41c8-b927-fa0c78f390e1 | mp-12885 | Rotate all surrounding atoms within 2.737 angstrom of the center atom at index 11 by 104.668 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural BaAl2Sb2O7
_chemical_formula_sum "Ba1 Al2 Sb2 O7"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098976999998
_cell_angle_gamma 36.6309... | data_image0
_chemical_formula_structural BaAl2Sb2O7
_chemical_formula_sum "Ba1 Al2 Sb2 O7"
_cell_length_a 8.76911051
_cell_length_b 8.76911051
_cell_length_c 8.769110309999999
_cell_angle_alpha 36.630989769999985
_cell_angle_beta 36.63098976999998
_cell_angle_gamma 36.6309... |
RotateAroundAtomAction | c948eb0e-13f1-4403-82e4-e11444d89f2d | mp-1073523 | Rotate all surrounding atoms within 2.482 angstrom of the center atom at index 5 by 56.054 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 3.794989
_cell_length_b 6.05673
_cell_length_c 10.43074686
_cell_angle_alpha 77.46139383
_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 Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 3.794989
_cell_length_b 6.05673
_cell_length_c 10.43074686
_cell_angle_alpha 77.46139383
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
RotateAroundAtomAction | 02611ad9-08e0-4c8b-be37-cd07550b59cb | mp-1518567 | Rotate all surrounding atoms within 2.165 angstrom of the center atom at index 23 by 251.39 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sr4Tb4Eu4W4O24
_chemical_formula_sum "Sr4 Tb4 Eu4 W4 O24"
_cell_length_a 8.33102937
_cell_length_b 8.4305669
_cell_length_c 8.39115779
_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 Sr4Tb4Eu4W4O24
_chemical_formula_sum "Sr4 Tb4 Eu4 W4 O24"
_cell_length_a 8.33102937
_cell_length_b 8.4305669
_cell_length_c 8.39115779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 3ff55a83-a744-4b7c-ac90-9fe7e01602bc | mp-755794 | Rotate all surrounding atoms within 3.876 angstrom of the center atom at index 6 by 175.713 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Rb6Lu2O6
_chemical_formula_sum "Rb6 Lu2 O6"
_cell_length_a 7.14217626
_cell_length_b 7.14217626
_cell_length_c 7.11319529
_cell_angle_alpha 84.73786824
_cell_angle_beta 84.73786824
_cell_angle_gamma 115.62216469
_space_group_name_H... | data_image0
_chemical_formula_structural Rb6Lu2O6
_chemical_formula_sum "Rb6 Lu2 O6"
_cell_length_a 7.14217626
_cell_length_b 7.14217626
_cell_length_c 7.11319529
_cell_angle_alpha 84.73786824
_cell_angle_beta 84.73786824
_cell_angle_gamma 115.62216469
_space_group_name_H... |
RotateAroundAtomAction | 7f431b6b-0f69-4935-ab94-cbcdbbf406a8 | mp-1176342 | Rotate all surrounding atoms within 2.551 angstrom of the center atom at index 13 by 96.507 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na6V6O16
_chemical_formula_sum "Na6 V6 O16"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na6V6O16
_chemical_formula_sum "Na6 V6 O16"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_name_H-M_... |
RotateAroundAtomAction | 6b2bd211-1787-49ee-a521-2a0782bb4f28 | mp-695906 | Rotate all surrounding atoms within 2.09 angstrom of the center atom at index 18 by 51.295 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Rb4Sm4H32S8O48
_chemical_formula_sum "Rb4 Sm4 H32 S8 O48"
_cell_length_a 19.144285
_cell_length_b 6.707746
_cell_length_c 8.65922892
_cell_angle_alpha 84.18823872
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rb4Sm4H32S8O48
_chemical_formula_sum "Rb4 Sm4 H32 S8 O48"
_cell_length_a 19.144285
_cell_length_b 6.707746
_cell_length_c 8.65922892
_cell_angle_alpha 84.18823872
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
RotateAroundAtomAction | 2c87a3c8-9622-403f-ba1a-2ed308eaafb8 | mp-18292 | Rotate all surrounding atoms within 2.598 angstrom of the center atom at index 17 by 57.633 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural La8Mn2S12O2
_chemical_formula_sum "La8 Mn2 S12 O2"
_cell_length_a 9.5080546
_cell_length_b 9.5080546
_cell_length_c 6.865941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000419000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural La8Mn2S12O2
_chemical_formula_sum "La8 Mn2 S12 O2"
_cell_length_a 9.5080546
_cell_length_b 9.5080546
_cell_length_c 6.865941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000419000001
_space_group_name_H-M_al... |
RotateAroundAtomAction | 1cedbcc8-3d3a-4e12-92e1-8a02b915227d | mp-1218391 | Rotate all surrounding atoms within 3.313 angstrom of the center atom at index 2 by 146.485 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sr2Ca2Ti2Mn2O12
_chemical_formula_sum "Sr2 Ca2 Ti2 Mn2 O12"
_cell_length_a 5.453876
_cell_length_b 5.46815873
_cell_length_c 7.70356346
_cell_angle_alpha 90.04949166000002
_cell_angle_beta 89.99945912
_cell_angle_gamma 89.99989522
... | data_image0
_chemical_formula_structural Sr2Ca2Ti2Mn2O12
_chemical_formula_sum "Sr2 Ca2 Ti2 Mn2 O12"
_cell_length_a 5.453876
_cell_length_b 5.46815873
_cell_length_c 7.70356346
_cell_angle_alpha 90.04949166000002
_cell_angle_beta 89.99945912
_cell_angle_gamma 89.99989522
... |
RotateAroundAtomAction | 40e77b55-d4d1-47f7-9a8c-a6d32e4febab | mp-1204213 | Rotate all surrounding atoms within 3.856 angstrom of the center atom at index 15 by 201.748 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Tb4Nb4S14O60
_chemical_formula_sum "Tb4 Nb4 S14 O60"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_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 Tb4Nb4S14O60
_chemical_formula_sum "Tb4 Nb4 S14 O60"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
RotateAroundAtomAction | 1ad7e4e3-489e-4e5f-a384-32d2591f66cc | mp-22071 | Rotate all surrounding atoms within 3.426 angstrom of the center atom at index 21 by 214.646 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sb8O16
_chemical_formula_sum "Sb8 O16"
_cell_length_a 7.44343731
_cell_length_b 7.44343731
_cell_length_c 7.44343731
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... | data_image0
_chemical_formula_structural Sb8O16
_chemical_formula_sum "Sb8 O16"
_cell_length_a 7.44343731
_cell_length_b 7.44343731
_cell_length_c 7.44343731
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... |
RotateAroundAtomAction | c0ea00a8-4d77-4f73-93dc-5f73e46d0de6 | mp-979041 | Rotate all surrounding atoms within 2.633 angstrom of the center atom at index 10 by 101.936 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Tm2Al6C6
_chemical_formula_sum "Tm2 Al6 C6"
_cell_length_a 3.39557985
_cell_length_b 3.39557967
_cell_length_c 17.11257072
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000185
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Tm2Al6C6
_chemical_formula_sum "Tm2 Al6 C6"
_cell_length_a 3.39557985
_cell_length_b 3.39557967
_cell_length_c 17.11257072
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000185
_space_group_name_H-M_alt "P ... |
RotateAroundAtomAction | 6ad724c2-a54d-422c-97c1-2443164d8d0b | mp-1194067 | Rotate all surrounding atoms within 3.931 angstrom of the center atom at index 19 by 119.487 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2
_chemical_formula_sum "Na2 Ni2 H8 S2 O12 F2"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group_name_... | data_image0
_chemical_formula_structural Na2Ni2H8S2O12F2
_chemical_formula_sum "Na2 Ni2 H8 S2 O12 F2"
_cell_length_a 5.75888244
_cell_length_b 7.31461048
_cell_length_c 7.303246
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.65916553
_space_group_name_... |
RotateAroundAtomAction | 66bc0e99-0f98-49d4-a7a0-615f63a8d0e8 | mp-1111088 | Rotate all surrounding atoms within 2.787 angstrom of the center atom at index 7 by 62.442 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
RotateAroundAtomAction | 368a7396-47e8-4674-a85d-cf332980e13c | mp-1105449 | Rotate all surrounding atoms within 3.841 angstrom of the center atom at index 0 by 190.776 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | 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_... |
RotateAroundAtomAction | 1348de48-f3c8-4ef0-b99f-f9d7932887af | mp-2749603 | Rotate all surrounding atoms within 3.897 angstrom of the center atom at index 28 by 301.586 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Rb8Eu4F20
_chemical_formula_sum "Rb8 Eu4 F20"
_cell_length_a 6.82112342
_cell_length_b 7.56358558
_cell_length_c 11.29010398
_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 Rb8Eu4F20
_chemical_formula_sum "Rb8 Eu4 F20"
_cell_length_a 6.82112342
_cell_length_b 7.56358558
_cell_length_c 11.29010398
_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 | e6c3d78c-63d7-4342-8193-920d29703d55 | mp-568761 | Rotate all surrounding atoms within 3.238 angstrom of the center atom at index 9 by 84.187 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | 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_... |
RotateAroundAtomAction | d2fac7a1-1191-42a5-8009-f3e4bb4be9d2 | mp-1228061 | Rotate all surrounding atoms within 3.725 angstrom of the center atom at index 3 by 60.22 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
RotateAroundAtomAction | 682bea54-84af-4016-aa65-c7bed01522b6 | mp-1376216 | Rotate all surrounding atoms within 3.877 angstrom of the center atom at index 25 by 64.841 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 | 6c6864de-1169-4b28-a064-98cff55179cc | mp-1213188 | Rotate all surrounding atoms within 1.653 angstrom of the center atom at index 12 by 76.029 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Cu2AgHS2O10
_chemical_formula_sum "Cu2 Ag1 H1 S2 O10"
_cell_length_a 5.32762167
_cell_length_b 5.32762167
_cell_length_c 8.06640392
_cell_angle_alpha 65.8263376
_cell_angle_beta 65.8263376
_cell_angle_gamma 70.17280704
_space_group... | data_image0
_chemical_formula_structural Cu2AgHS2O10
_chemical_formula_sum "Cu2 Ag1 H1 S2 O10"
_cell_length_a 5.32762167
_cell_length_b 5.32762167
_cell_length_c 8.06640392
_cell_angle_alpha 65.8263376
_cell_angle_beta 65.8263376
_cell_angle_gamma 70.17280704
_space_group... |
RotateAroundAtomAction | b3c92dde-eec0-4d8f-911f-67c794b98d1d | mp-674343 | Rotate all surrounding atoms within 3.528 angstrom of the center atom at index 1 by 66.531 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ti10Cu7S20
_chemical_formula_sum "Ti10 Cu7 S20"
_cell_length_a 6.66552105
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_angle_gamma 29.905861... | data_image0
_chemical_formula_structural Ti10Cu7S20
_chemical_formula_sum "Ti10 Cu7 S20"
_cell_length_a 6.66552105
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_angle_gamma 29.905861... |
RotateAroundAtomAction | 2929f2b4-e881-45b6-8870-f446a924a567 | mp-740718 | Rotate all surrounding atoms within 2.942 angstrom of the center atom at index 93 by 204.958 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_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 Al8H48N16Cl24
_chemical_formula_sum "Al8 H48 N16 Cl24"
_cell_length_a 6.586838
_cell_length_b 11.505036
_cell_length_c 18.326803
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
RotateAroundAtomAction | d751e78b-db84-458e-9b59-b79d620826d8 | mp-1194795 | Rotate all surrounding atoms within 2.463 angstrom of the center atom at index 28 by 246.643 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ba28Ge4B12Br4O52
_chemical_formula_sum "Ba28 Ge4 B12 Br4 O52"
_cell_length_a 7.56704942
_cell_length_b 11.3320778
_cell_length_c 20.66018911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ba28Ge4B12Br4O52
_chemical_formula_sum "Ba28 Ge4 B12 Br4 O52"
_cell_length_a 7.56704942
_cell_length_b 11.3320778
_cell_length_c 20.66018911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
RotateAroundAtomAction | f6c9bda9-47a6-42f2-8ddb-d52cdd54a9e3 | mp-1349418 | Rotate all surrounding atoms within 2.332 angstrom of the center atom at index 26 by 233.611 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg4Mo12O28
_chemical_formula_sum "Mg4 Mo12 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_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 Mg4Mo12O28
_chemical_formula_sum "Mg4 Mo12 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_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 | 9f38e2d1-6ef0-405d-bf9e-faec5a3dfb15 | mp-629560 | Rotate all surrounding atoms within 2.354 angstrom of the center atom at index 14 by 52.119 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Fe6C18Se4O18
_chemical_formula_sum "Fe6 C18 Se4 O18"
_cell_length_a 6.83787
_cell_length_b 9.24919726
_cell_length_c 13.13652296
_cell_angle_alpha 94.02188344
_cell_angle_beta 94.43545899
_cell_angle_gamma 111.00583358
_space_group... | data_image0
_chemical_formula_structural Fe6C18Se4O18
_chemical_formula_sum "Fe6 C18 Se4 O18"
_cell_length_a 6.83787
_cell_length_b 9.24919726
_cell_length_c 13.13652296
_cell_angle_alpha 94.02188344
_cell_angle_beta 94.43545899
_cell_angle_gamma 111.00583358
_space_group... |
RotateAroundAtomAction | 16cd67b6-47c8-41ce-abff-8d8fbe707552 | mp-1214888 | Rotate all surrounding atoms within 1.436 angstrom of the center atom at index 20 by 235.595 degree around the axis [ 0. 0. -1.] 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 | edfa6ce7-4913-42b4-96e7-d32f3c95bdcf | mp-9619 | Rotate all surrounding atoms within 3.107 angstrom of the center atom at index 5 by 55.967 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... |
RotateAroundAtomAction | 7975ca19-837e-4996-899c-3a6c0c58786f | mp-1074916 | Rotate all surrounding atoms within 3.497 angstrom of the center atom at index 14 by 233.221 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg14Si8
_chemical_formula_sum "Mg14 Si8"
_cell_length_a 4.510152
_cell_length_b 6.18780927
_cell_length_c 15.49498043
_cell_angle_alpha 93.37384975000002
_cell_angle_beta 91.72385019000001
_cell_angle_gamma 90.04907515
_space_group... | data_image0
_chemical_formula_structural Mg14Si8
_chemical_formula_sum "Mg14 Si8"
_cell_length_a 4.510152
_cell_length_b 6.18780927
_cell_length_c 15.49498043
_cell_angle_alpha 93.37384975000002
_cell_angle_beta 91.72385019000001
_cell_angle_gamma 90.04907515
_space_group... |
RotateAroundAtomAction | e6c2db46-8eba-4e85-80d0-fad7714703aa | mp-1217186 | Rotate all surrounding atoms within 3.507 angstrom of the center atom at index 8 by 159.367 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
RotateAroundAtomAction | 61b86755-a079-42f3-b222-1880d33348e7 | mp-1197379 | Rotate all surrounding atoms within 2.632 angstrom of the center atom at index 6 by 299.079 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Y2N6O28
_chemical_formula_sum "Y2 N6 O28"
_cell_length_a 6.444069
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_space_group_name_H... | data_image0
_chemical_formula_structural Y2N6O28
_chemical_formula_sum "Y2 N6 O28"
_cell_length_a 6.444069
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_space_group_name_H... |
RotateAroundAtomAction | 95a5b83c-b282-485c-a38c-88d4b21bf9f5 | mp-699431 | Rotate all surrounding atoms within 3.932 angstrom of the center atom at index 13 by 214.473 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
RotateAroundAtomAction | cca2d7aa-d96d-4442-b6b1-af79d01530b5 | mp-1209429 | Rotate all surrounding atoms within 2.769 angstrom of the center atom at index 27 by 298.981 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Pr3Si6Pd20
_chemical_formula_sum "Pr3 Si6 Pd20"
_cell_length_a 8.72600808
_cell_length_b 8.72600943
_cell_length_c 8.72601473
_cell_angle_alpha 59.99971905
_cell_angle_beta 59.99996874
_cell_angle_gamma 59.99978113
_space_group_nam... | data_image0
_chemical_formula_structural Pr3Si6Pd20
_chemical_formula_sum "Pr3 Si6 Pd20"
_cell_length_a 8.72600808
_cell_length_b 8.72600943
_cell_length_c 8.72601473
_cell_angle_alpha 59.99971905
_cell_angle_beta 59.99996874
_cell_angle_gamma 59.99978113
_space_group_nam... |
RotateAroundAtomAction | 9d3a5a90-a5bf-43a0-b56e-c01ed7657d6d | mp-756138 | Rotate all surrounding atoms within 3.847 angstrom of the center atom at index 6 by 172.671 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li4V6Sb2O16
_chemical_formula_sum "Li4 V6 Sb2 O16"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_group_... | data_image0
_chemical_formula_structural Li4V6Sb2O16
_chemical_formula_sum "Li4 V6 Sb2 O16"
_cell_length_a 6.03905252
_cell_length_b 10.7130059
_cell_length_c 6.03898962
_cell_angle_alpha 73.66477487
_cell_angle_beta 60.02281139
_cell_angle_gamma 73.66541874
_space_group_... |
RotateAroundAtomAction | 69070d9e-ad2d-44b1-80af-ffcfb50478ba | mp-1220625 | Rotate all surrounding atoms within 3.098 angstrom of the center atom at index 8 by 55.941 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Nd4Si7
_chemical_formula_sum "Nd4 Si7"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_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_... | data_image0
_chemical_formula_structural Nd4Si7
_chemical_formula_sum "Nd4 Si7"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_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_... |
RotateAroundAtomAction | 9fe642c5-7ad6-4811-aa13-5b7addcf7d25 | mp-1219608 | Rotate all surrounding atoms within 1.955 angstrom of the center atom at index 3 by 51.505 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural RbLaTiNbO6F
_chemical_formula_sum "Rb1 La1 Ti1 Nb1 O6 F1"
_cell_length_a 3.872434
_cell_length_b 3.915958
_cell_length_c 11.289405
_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 RbLaTiNbO6F
_chemical_formula_sum "Rb1 La1 Ti1 Nb1 O6 F1"
_cell_length_a 3.872434
_cell_length_b 3.915958
_cell_length_c 11.289405
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
RotateAroundAtomAction | 171b3ca6-0880-4e8e-8a3a-b895e2c5be04 | mp-24598 | Rotate all surrounding atoms within 3.363 angstrom of the center atom at index 1 by 198.961 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
RotateAroundAtomAction | 1db8efce-d767-49e9-8032-5bc5d59c2b13 | mp-680754 | Rotate all surrounding atoms within 3.896 angstrom of the center atom at index 15 by 286.058 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ca10Cu2Pb6
_chemical_formula_sum "Ca10 Cu2 Pb6"
_cell_length_a 9.62567022
_cell_length_b 9.62567022
_cell_length_c 6.774716
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000149999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca10Cu2Pb6
_chemical_formula_sum "Ca10 Cu2 Pb6"
_cell_length_a 9.62567022
_cell_length_b 9.62567022
_cell_length_c 6.774716
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000149999998
_space_group_name_H-M_alt... |
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