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 | 1d9d3375-e253-4976-890e-767752adbeac | mp-757411 | Rotate all surrounding atoms within 3.363 angstrom of the center atom at index 11 by 164.117 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li8Co4P8O28
_chemical_formula_sum "Li8 Co4 P8 O28"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_group_... | data_image0
_chemical_formula_structural Li8Co4P8O28
_chemical_formula_sum "Li8 Co4 P8 O28"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_group_... |
RotateAroundAtomAction | d7f9ba8e-6504-4546-87c4-dedeee7fe250 | mp-2227274 | Rotate all surrounding atoms within 2.561 angstrom of the center atom at index 2 by 243.305 degree around the axis [0. 1. 0.] 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 | 853a1773-b56d-46b5-9585-cb66b4b5bf9e | mp-558525 | Rotate all surrounding atoms within 1.887 angstrom of the center atom at index 69 by 272.692 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural V16Fe8O52
_chemical_formula_sum "V16 Fe8 O52"
_cell_length_a 9.41919459
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural V16Fe8O52
_chemical_formula_sum "V16 Fe8 O52"
_cell_length_a 9.41919459
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
RotateAroundAtomAction | df3a9588-975b-49c5-b308-d78947c47a07 | mp-2503 | Rotate all surrounding atoms within 2.654 angstrom of the center atom at index 15 by 153.713 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... |
RotateAroundAtomAction | a02c5f76-3a69-4eca-8157-f79b67031cc7 | mp-1213264 | Rotate all surrounding atoms within 3.731 angstrom of the center atom at index 3 by 254.326 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Cs2Nd2Te8
_chemical_formula_sum "Cs2 Nd2 Te8"
_cell_length_a 8.09809799
_cell_length_b 8.09809799
_cell_length_c 12.352567
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Cs2Nd2Te8
_chemical_formula_sum "Cs2 Nd2 Te8"
_cell_length_a 8.09809799
_cell_length_b 8.09809799
_cell_length_c 12.352567
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
RotateAroundAtomAction | 4f4ba194-c8e0-4287-8732-818d94d78007 | mp-771174 | Rotate all surrounding atoms within 2.916 angstrom of the center atom at index 28 by 233.827 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ba8B8O20
_chemical_formula_sum "Ba8 B8 O20"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba8B8O20
_chemical_formula_sum "Ba8 B8 O20"
_cell_length_a 4.38263547
_cell_length_b 10.36685935
_cell_length_c 12.83848963
_cell_angle_alpha 77.91397472999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | ea3b69cd-3580-48db-8ea8-cab9529fe149 | mp-1175691 | Rotate all surrounding atoms within 2.365 angstrom of the center atom at index 18 by 251.354 degree around the axis [1. 0. 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 | efc851da-5480-4e19-9096-371b2f128765 | mp-1029037 | Rotate all surrounding atoms within 2.779 angstrom of the center atom at index 11 by 168.336 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural MoW3Se2S6
_chemical_formula_sum "Mo1 W3 Se2 S6"
_cell_length_a 3.21988457
_cell_length_b 3.21988457
_cell_length_c 36.406804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001172
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural MoW3Se2S6
_chemical_formula_sum "Mo1 W3 Se2 S6"
_cell_length_a 3.21988457
_cell_length_b 3.21988457
_cell_length_c 36.406804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001172
_space_group_name_H-M_alt "... |
RotateAroundAtomAction | fd29447a-98de-43d9-9eda-14e4df245f93 | mp-2215121 | Rotate all surrounding atoms within 2.916 angstrom of the center atom at index 10 by 122.897 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Co4NiO8
_chemical_formula_sum "Co4 Ni1 O8"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83364116000... | data_image0
_chemical_formula_structural Co4NiO8
_chemical_formula_sum "Co4 Ni1 O8"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83364116000... |
RotateAroundAtomAction | c4e4ffab-681e-4d79-a9f2-d6d3a2b73ef8 | mp-704542 | Rotate all surrounding atoms within 3.738 angstrom of the center atom at index 80 by 272.771 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ge4W8C40Br8O40
_chemical_formula_sum "Ge4 W8 C40 Br8 O40"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge4W8C40Br8O40
_chemical_formula_sum "Ge4 W8 C40 Br8 O40"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
RotateAroundAtomAction | 77ed3817-022a-4295-8338-19ef7f318748 | mp-1208448 | Rotate all surrounding atoms within 3.731 angstrom of the center atom at index 1 by 62.648 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Tb4Ga12Ag
_chemical_formula_sum "Tb4 Ga12 Ag1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_space_g... | data_image0
_chemical_formula_structural Tb4Ga12Ag
_chemical_formula_sum "Tb4 Ga12 Ag1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_space_g... |
RotateAroundAtomAction | c4f750a5-f3ca-4e6d-b751-1484242bc567 | mp-1567262 | Rotate all surrounding atoms within 3.804 angstrom of the center atom at index 13 by 294.542 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... |
RotateAroundAtomAction | 636262ad-68b6-428d-965e-70de046cbff7 | mp-1176984 | Rotate all surrounding atoms within 3.587 angstrom of the center atom at index 38 by 293.281 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2181397... | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2181397... |
RotateAroundAtomAction | f4ea43a7-d78a-42f1-a93d-1562e8acd978 | mp-1209476 | Rotate all surrounding atoms within 3.497 angstrom of the center atom at index 32 by 71.702 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Rb8Fe8S12O48
_chemical_formula_sum "Rb8 Fe8 S12 O48"
_cell_length_a 10.261897
_cell_length_b 10.261897
_cell_length_c 10.261897
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Rb8Fe8S12O48
_chemical_formula_sum "Rb8 Fe8 S12 O48"
_cell_length_a 10.261897
_cell_length_b 10.261897
_cell_length_c 10.261897
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
RotateAroundAtomAction | 373c0ce4-2dfd-4cfb-a4e5-0283faefa817 | mp-1196193 | Rotate all surrounding atoms within 2.746 angstrom of the center atom at index 45 by 175.618 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural FeSn4H24C8Se10N2
_chemical_formula_sum "Fe1 Sn4 H24 C8 Se10 N2"
_cell_length_a 11.01614547
_cell_length_b 11.01614547
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_beta 123.33029273
_cell_angle_gamma 84.32248... | data_image0
_chemical_formula_structural FeSn4H24C8Se10N2
_chemical_formula_sum "Fe1 Sn4 H24 C8 Se10 N2"
_cell_length_a 11.01614547
_cell_length_b 11.01614547
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_beta 123.33029273
_cell_angle_gamma 84.32248... |
RotateAroundAtomAction | 2df5d5d4-ccca-4acd-b35d-50c6e5bb2869 | mp-1036452 | Rotate all surrounding atoms within 3.299 angstrom of the center atom at index 29 by 180.021 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg14AlBiO16
_chemical_formula_sum "Mg14 Al1 Bi1 O16"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 4.378847
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mg14AlBiO16
_chemical_formula_sum "Mg14 Al1 Bi1 O16"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 4.378847
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
RotateAroundAtomAction | 5f7763ff-8b9b-445a-b951-5569051733c3 | mp-541221 | Rotate all surrounding atoms within 2.284 angstrom of the center atom at index 28 by 230.896 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... |
RotateAroundAtomAction | 6c177f55-1f70-4e0a-a71d-0eb3e99861eb | mp-1223651 | Rotate all surrounding atoms within 3.814 angstrom of the center atom at index 34 by 213.242 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural La20Os12C13
_chemical_formula_sum "La20 Os12 C13"
_cell_length_a 15.968332
_cell_length_b 6.805853
_cell_length_c 9.18086384
_cell_angle_alpha 89.93005953000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural La20Os12C13
_chemical_formula_sum "La20 Os12 C13"
_cell_length_a 15.968332
_cell_length_b 6.805853
_cell_length_c 9.18086384
_cell_angle_alpha 89.93005953000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
RotateAroundAtomAction | 82657890-5d35-442c-bcb1-ebe3d7a274c1 | mp-1175183 | Rotate all surrounding atoms within 2.935 angstrom of the center atom at index 4 by 210.693 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li14Mn8Co2O24
_chemical_formula_sum "Li14 Mn8 Co2 O24"
_cell_length_a 5.93090731
_cell_length_b 10.368841130000002
_cell_length_c 8.0209691
_cell_angle_alpha 110.1693237
_cell_angle_beta 75.24929671
_cell_angle_gamma 82.801730890000... | data_image0
_chemical_formula_structural Li14Mn8Co2O24
_chemical_formula_sum "Li14 Mn8 Co2 O24"
_cell_length_a 5.93090731
_cell_length_b 10.368841130000002
_cell_length_c 8.0209691
_cell_angle_alpha 110.1693237
_cell_angle_beta 75.24929671
_cell_angle_gamma 82.801730890000... |
RotateAroundAtomAction | abfdeb91-7551-4e41-8050-61de420932c1 | mp-678 | Rotate all surrounding atoms within 3.882 angstrom of the center atom at index 14 by 212.727 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... |
RotateAroundAtomAction | 78f42c2d-7a57-44f0-a186-005c0a7ad22b | mp-1374432 | Rotate all surrounding atoms within 2.462 angstrom of the center atom at index 24 by 314.829 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg4Ni4As4O20
_chemical_formula_sum "Mg4 Ni4 As4 O20"
_cell_length_a 5.80487
_cell_length_b 7.48795
_cell_length_c 8.385389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Mg4Ni4As4O20
_chemical_formula_sum "Mg4 Ni4 As4 O20"
_cell_length_a 5.80487
_cell_length_b 7.48795
_cell_length_c 8.385389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
RotateAroundAtomAction | 9af2702f-96e2-4e61-a3f9-efb5db205faf | mp-1175476 | Rotate all surrounding atoms within 3.892 angstrom of the center atom at index 3 by 267.041 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 2.98362
_cell_length_b 9.74424399
_cell_length_c 10.11371034
_cell_angle_alpha 77.44947545
_cell_angle_beta 89.18801387
_cell_angle_gamma 88.67283281
_space_group_name_H-... | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 2.98362
_cell_length_b 9.74424399
_cell_length_c 10.11371034
_cell_angle_alpha 77.44947545
_cell_angle_beta 89.18801387
_cell_angle_gamma 88.67283281
_space_group_name_H-... |
RotateAroundAtomAction | 8009a54f-eba1-4259-946c-47c8e6d8012f | mp-1043960 | Rotate all surrounding atoms within 3.995 angstrom of the center atom at index 0 by 69.717 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg4Ti4P8O28
_chemical_formula_sum "Mg4 Ti4 P8 O28"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg4Ti4P8O28
_chemical_formula_sum "Mg4 Ti4 P8 O28"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
RotateAroundAtomAction | ca5ea578-5fc4-49f6-a3c1-9b37fd6dd362 | mp-2223123 | Rotate all surrounding atoms within 3.711 angstrom of the center atom at index 7 by 174.697 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_spa... | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_spa... |
RotateAroundAtomAction | 512d52db-c905-43cf-943c-fc24ff0b6dee | mp-1246526 | Rotate all surrounding atoms within 2.537 angstrom of the center atom at index 15 by 270.283 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sr6Ru4N8
_chemical_formula_sum "Sr6 Ru4 N8"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space_group_... | data_image0
_chemical_formula_structural Sr6Ru4N8
_chemical_formula_sum "Sr6 Ru4 N8"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space_group_... |
RotateAroundAtomAction | f0de0979-7f7a-4d01-8b1b-e1e5f456a703 | mp-684709 | Rotate all surrounding atoms within 3.398 angstrom of the center atom at index 28 by 183.601 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural K6B34
_chemical_formula_sum "K6 B34"
_cell_length_a 13.30794988
_cell_length_b 13.30794988
_cell_length_c 13.307949880000002
_cell_angle_alpha 153.92748815
_cell_angle_beta 153.92748815
_cell_angle_gamma 37.20500753999999
_space_gr... | data_image0
_chemical_formula_structural K6B34
_chemical_formula_sum "K6 B34"
_cell_length_a 13.30794988
_cell_length_b 13.30794988
_cell_length_c 13.307949880000002
_cell_angle_alpha 153.92748815
_cell_angle_beta 153.92748815
_cell_angle_gamma 37.20500753999999
_space_gr... |
RotateAroundAtomAction | 14f40145-3181-48de-800a-ebff8f0dad49 | mp-1026735 | Rotate all surrounding atoms within 3.462 angstrom of the center atom at index 11 by 256.953 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural CeMg14Sb
_chemical_formula_sum "Ce1 Mg14 Sb1"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 10.55270559
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural CeMg14Sb
_chemical_formula_sum "Ce1 Mg14 Sb1"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 10.55270559
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_name_H-M_al... |
RotateAroundAtomAction | e52fdb65-fe94-4ae5-ab91-8581cc00cf70 | mp-18112 | Rotate all surrounding atoms within 3.052 angstrom of the center atom at index 22 by 154.759 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sr8Ge8Se20
_chemical_formula_sum "Sr8 Ge8 Se20"
_cell_length_a 12.39348995
_cell_length_b 8.52535437
_cell_length_c 12.20324559
_cell_angle_alpha 49.38111077999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sr8Ge8Se20
_chemical_formula_sum "Sr8 Ge8 Se20"
_cell_length_a 12.39348995
_cell_length_b 8.52535437
_cell_length_c 12.20324559
_cell_angle_alpha 49.38111077999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
RotateAroundAtomAction | 04a940c1-dcad-4b6d-aa15-3d5e29d5c15d | mp-1110899 | Rotate all surrounding atoms within 2.827 angstrom of the center atom at index 7 by 179.084 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
RotateAroundAtomAction | b2309d03-f888-4f26-bbef-baf7aecc27d6 | mp-559286 | Rotate all surrounding atoms within 2.571 angstrom of the center atom at index 0 by 265.844 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na8Al6Ge6Cl2O24
_chemical_formula_sum "Na8 Al6 Ge6 Cl2 O24"
_cell_length_a 9.141085
_cell_length_b 9.141085
_cell_length_c 9.141085
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na8Al6Ge6Cl2O24
_chemical_formula_sum "Na8 Al6 Ge6 Cl2 O24"
_cell_length_a 9.141085
_cell_length_b 9.141085
_cell_length_c 9.141085
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
RotateAroundAtomAction | 8ab8fb9c-5228-4625-ae33-b5de6f5573cd | mp-13456 | Rotate all surrounding atoms within 2.566 angstrom of the center atom at index 4 by 199.042 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Zn5S5
_chemical_formula_sum "Zn5 S5"
_cell_length_a 15.72505019
_cell_length_b 15.725050190000001
_cell_length_c 15.72504922
_cell_angle_alpha 13.908401220000002
_cell_angle_beta 13.908401220000002
_cell_angle_gamma 13.9084016399999... | data_image0
_chemical_formula_structural Zn5S5
_chemical_formula_sum "Zn5 S5"
_cell_length_a 15.72505019
_cell_length_b 15.725050190000001
_cell_length_c 15.72504922
_cell_angle_alpha 13.908401220000002
_cell_angle_beta 13.908401220000002
_cell_angle_gamma 13.9084016399999... |
RotateAroundAtomAction | 0f07426a-59dc-43ca-9236-c2c4b3c12175 | mp-778743 | Rotate all surrounding atoms within 3.286 angstrom of the center atom at index 14 by 210.459 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li10Cu2P4O16
_chemical_formula_sum "Li10 Cu2 P4 O16"
_cell_length_a 6.154576
_cell_length_b 5.383631
_cell_length_c 9.98142734
_cell_angle_alpha 89.89632549
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li10Cu2P4O16
_chemical_formula_sum "Li10 Cu2 P4 O16"
_cell_length_a 6.154576
_cell_length_b 5.383631
_cell_length_c 9.98142734
_cell_angle_alpha 89.89632549
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 94ad9c54-fc51-4584-ae50-376f965f1ce0 | mp-11321 | Rotate all surrounding atoms within 3.01 angstrom of the center atom at index 0 by 209.967 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Y6Ta2O14
_chemical_formula_sum "Y6 Ta2 O14"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Y6Ta2O14
_chemical_formula_sum "Y6 Ta2 O14"
_cell_length_a 6.44925603
_cell_length_b 6.449256029999999
_cell_length_c 7.43658817
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.90163995
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | be5abf9f-7dab-421f-9b92-fae0398a084f | mp-36383 | Rotate all surrounding atoms within 1.981 angstrom of the center atom at index 7 by 187.767 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ag3P2O8
_chemical_formula_sum "Ag3 P2 O8"
_cell_length_a 5.77171001
_cell_length_b 5.77170928
_cell_length_c 5.77171041
_cell_angle_alpha 83.23631156000002
_cell_angle_beta 83.23630576999999
_cell_angle_gamma 83.23629968
_space_gro... | data_image0
_chemical_formula_structural Ag3P2O8
_chemical_formula_sum "Ag3 P2 O8"
_cell_length_a 5.77171001
_cell_length_b 5.77170928
_cell_length_c 5.77171041
_cell_angle_alpha 83.23631156000002
_cell_angle_beta 83.23630576999999
_cell_angle_gamma 83.23629968
_space_gro... |
RotateAroundAtomAction | 9ecb6ac9-650c-42b8-a55e-07245b849d4a | mp-1218449 | Rotate all surrounding atoms within 2.812 angstrom of the center atom at index 13 by 191.874 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... |
RotateAroundAtomAction | 58cdb395-01e4-437a-8edd-d8114b7577fa | mp-1246897 | Rotate all surrounding atoms within 2.997 angstrom of the center atom at index 10 by 173.844 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural LuMg2Mn3S8
_chemical_formula_sum "Lu1 Mg2 Mn3 S8"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_space_g... | data_image0
_chemical_formula_structural LuMg2Mn3S8
_chemical_formula_sum "Lu1 Mg2 Mn3 S8"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_space_g... |
RotateAroundAtomAction | 06d6f148-d91a-4811-9028-1af6b34d3163 | mp-1522056 | Rotate all surrounding atoms within 2.093 angstrom of the center atom at index 7 by 170.299 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural CaEuTiSnO6
_chemical_formula_sum "Ca1 Eu1 Ti1 Sn1 O6"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001... | data_image0
_chemical_formula_structural CaEuTiSnO6
_chemical_formula_sum "Ca1 Eu1 Ti1 Sn1 O6"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001... |
RotateAroundAtomAction | dc9140cf-05ae-4b98-b7ec-bad0d86b15e4 | mp-777349 | Rotate all surrounding atoms within 2.427 angstrom of the center atom at index 8 by 228.978 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... |
RotateAroundAtomAction | 90cd94bd-70e0-40c6-8a6f-f03ca68b5371 | mp-694554 | Rotate all surrounding atoms within 1.909 angstrom of the center atom at index 23 by 132.437 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 39def420-fb46-40ef-ab55-0592894fd43f | mp-697807 | Rotate all surrounding atoms within 2.409 angstrom of the center atom at index 26 by 299.787 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li2Mn8P14O48
_chemical_formula_sum "Li2 Mn8 P14 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 105.6353... | data_image0
_chemical_formula_structural Li2Mn8P14O48
_chemical_formula_sum "Li2 Mn8 P14 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 105.6353... |
RotateAroundAtomAction | e494ea82-609f-41da-93df-84be1e5753f6 | mp-676665 | Rotate all surrounding atoms within 3.104 angstrom of the center atom at index 0 by 166.573 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... |
RotateAroundAtomAction | 8202dfa1-b306-415c-ad12-0bb76103cd1c | mp-2240405 | Rotate all surrounding atoms within 2.634 angstrom of the center atom at index 3 by 80.23 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural MgMn2Ag2O6
_chemical_formula_sum "Mg1 Mn2 Ag2 O6"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_space... | data_image0
_chemical_formula_structural MgMn2Ag2O6
_chemical_formula_sum "Mg1 Mn2 Ag2 O6"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_space... |
RotateAroundAtomAction | 92b6f0f9-e3fb-41a9-9618-648db10ae1dd | mp-573073 | Rotate all surrounding atoms within 2.334 angstrom of the center atom at index 35 by 124.163 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
RotateAroundAtomAction | ee2797d6-98a8-4a15-9b12-7f1981ed86fd | mp-1217186 | Rotate all surrounding atoms within 3.817 angstrom of the center atom at index 4 by 112.121 degree around the axis [ 0. 0. -1.] 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 | bd8aac49-1b65-44a6-a408-861e76795e57 | mp-1033422 | Rotate all surrounding atoms within 2.566 angstrom of the center atom at index 10 by 260.178 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural BaMg6CO8
_chemical_formula_sum "Ba1 Mg6 C1 O8"
_cell_length_a 8.66532636
_cell_length_b 4.6564749
_cell_length_c 4.6564749
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural BaMg6CO8
_chemical_formula_sum "Ba1 Mg6 C1 O8"
_cell_length_a 8.66532636
_cell_length_b 4.6564749
_cell_length_c 4.6564749
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
RotateAroundAtomAction | e658278b-9dd9-4a36-86ea-34c54276f1a7 | mp-760055 | Rotate all surrounding atoms within 1.79 angstrom of the center atom at index 16 by 70.049 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li3Mn3V3P6H6O30
_chemical_formula_sum "Li3 Mn3 V3 P6 H6 O30"
_cell_length_a 7.44397993
_cell_length_b 11.32063412
_cell_length_c 6.794345970000001
_cell_angle_alpha 73.04739999000002
_cell_angle_beta 88.85579793
_cell_angle_gamma 81... | data_image0
_chemical_formula_structural Li3Mn3V3P6H6O30
_chemical_formula_sum "Li3 Mn3 V3 P6 H6 O30"
_cell_length_a 7.44397993
_cell_length_b 11.32063412
_cell_length_c 6.794345970000001
_cell_angle_alpha 73.04739999000002
_cell_angle_beta 88.85579793
_cell_angle_gamma 81... |
RotateAroundAtomAction | 702d65a9-4ad8-43b3-bd85-cae571e5e04a | mp-1174755 | Rotate all surrounding atoms within 3.604 angstrom of the center atom at index 1 by 126.041 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... |
RotateAroundAtomAction | 9f9e0669-48fb-4da6-8b39-92b1ce3319c0 | mp-1213037 | Rotate all surrounding atoms within 3.072 angstrom of the center atom at index 11 by 271.941 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural K4Li4As4
_chemical_formula_sum "K4 Li4 As4"
_cell_length_a 4.311587
_cell_length_b 12.867966
_cell_length_c 14.594449
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural K4Li4As4
_chemical_formula_sum "K4 Li4 As4"
_cell_length_a 4.311587
_cell_length_b 12.867966
_cell_length_c 14.594449
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
RotateAroundAtomAction | cdbdd2a2-362b-40ab-a314-3982a0158be4 | mp-2241517 | Rotate all surrounding atoms within 3.768 angstrom of the center atom at index 4 by 160.932 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural MgTlV4O10
_chemical_formula_sum "Mg1 Tl1 V4 O10"
_cell_length_a 3.80973867
_cell_length_b 6.39254685
_cell_length_c 10.30154824
_cell_angle_alpha 99.21036911
_cell_angle_beta 90.08400635
_cell_angle_gamma 107.31590398
_space_group_... | data_image0
_chemical_formula_structural MgTlV4O10
_chemical_formula_sum "Mg1 Tl1 V4 O10"
_cell_length_a 3.80973867
_cell_length_b 6.39254685
_cell_length_c 10.30154824
_cell_angle_alpha 99.21036911
_cell_angle_beta 90.08400635
_cell_angle_gamma 107.31590398
_space_group_... |
RotateAroundAtomAction | 9f2f4931-2533-432d-a2eb-f5649ffc877e | mp-1200624 | Rotate all surrounding atoms within 2.486 angstrom of the center atom at index 15 by 184.892 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural K4V6P8O40
_chemical_formula_sum "K4 V6 P8 O40"
_cell_length_a 6.274862
_cell_length_b 11.23261801
_cell_length_c 12.8555442
_cell_angle_alpha 106.62234945
_cell_angle_beta 103.09919050000002
_cell_angle_gamma 95.97454928
_space_gro... | data_image0
_chemical_formula_structural K4V6P8O40
_chemical_formula_sum "K4 V6 P8 O40"
_cell_length_a 6.274862
_cell_length_b 11.23261801
_cell_length_c 12.8555442
_cell_angle_alpha 106.62234945
_cell_angle_beta 103.09919050000002
_cell_angle_gamma 95.97454928
_space_gro... |
RotateAroundAtomAction | 37081f53-187c-4b7f-9072-476aa31ee4da | mp-2240560 | Rotate all surrounding atoms within 2.957 angstrom of the center atom at index 8 by 48.006 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... |
RotateAroundAtomAction | b41ebf44-8b04-4402-b550-7c6925887167 | mp-1213576 | Rotate all surrounding atoms within 2.467 angstrom of the center atom at index 59 by 187.717 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... |
RotateAroundAtomAction | e0e7754c-c433-4459-bdb6-77d37ca5b45f | mp-862656 | Rotate all surrounding atoms within 3.161 angstrom of the center atom at index 16 by 239.52 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Er5Al15
_chemical_formula_sum "Er5 Al15"
_cell_length_a 12.36137364
_cell_length_b 12.36137364
_cell_length_c 12.36137266
_cell_angle_alpha 28.216417780000004
_cell_angle_beta 28.216417780000004
_cell_angle_gamma 28.21641792
_space... | data_image0
_chemical_formula_structural Er5Al15
_chemical_formula_sum "Er5 Al15"
_cell_length_a 12.36137364
_cell_length_b 12.36137364
_cell_length_c 12.36137266
_cell_angle_alpha 28.216417780000004
_cell_angle_beta 28.216417780000004
_cell_angle_gamma 28.21641792
_space... |
RotateAroundAtomAction | cee1c393-a90c-4d67-b2c3-9283e1bc6cba | mp-1304002 | Rotate all surrounding atoms within 2.228 angstrom of the center atom at index 23 by 222.781 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... |
RotateAroundAtomAction | 2c71a559-d0e8-48a3-b510-731d08269f1e | mp-1520242 | Rotate all surrounding atoms within 3.261 angstrom of the center atom at index 9 by 51.223 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
RotateAroundAtomAction | e1435809-5a86-4fd6-8c84-d907e7584e7f | mp-1200098 | Rotate all surrounding atoms within 2.853 angstrom of the center atom at index 24 by 229.735 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ir4W4N20Cl4O16
_chemical_formula_sum "Ir4 W4 N20 Cl4 O16"
_cell_length_a 8.99499
_cell_length_b 9.214026
_cell_length_c 12.273695
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ir4W4N20Cl4O16
_chemical_formula_sum "Ir4 W4 N20 Cl4 O16"
_cell_length_a 8.99499
_cell_length_b 9.214026
_cell_length_c 12.273695
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
RotateAroundAtomAction | 2f5a03f0-473d-4c52-8f7d-d2e680a5782f | mp-23083 | Rotate all surrounding atoms within 2.794 angstrom of the center atom at index 4 by 217.079 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural KAs4BrO6
_chemical_formula_sum "K1 As4 Br1 O6"
_cell_length_a 5.34714576
_cell_length_b 5.34714576
_cell_length_c 9.23111
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999706999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural KAs4BrO6
_chemical_formula_sum "K1 As4 Br1 O6"
_cell_length_a 5.34714576
_cell_length_b 5.34714576
_cell_length_c 9.23111
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999706999999
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 90517f59-f6ea-4b1e-90ea-d1c5b8b093da | mp-753980 | Rotate all surrounding atoms within 3.164 angstrom of the center atom at index 16 by 188.461 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li4Mn2TeWO12
_chemical_formula_sum "Li4 Mn2 Te1 W1 O12"
_cell_length_a 5.32417188
_cell_length_b 10.649467770000001
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gamma 57.026... | data_image0
_chemical_formula_structural Li4Mn2TeWO12
_chemical_formula_sum "Li4 Mn2 Te1 W1 O12"
_cell_length_a 5.32417188
_cell_length_b 10.649467770000001
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gamma 57.026... |
RotateAroundAtomAction | d6bbd06f-6d22-47c2-93c5-5a5b6a1f4a48 | mp-759181 | Rotate all surrounding atoms within 3.504 angstrom of the center atom at index 30 by 178.805 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li4Mn4P12O36
_chemical_formula_sum "Li4 Mn4 P12 O36"
_cell_length_a 5.393716
_cell_length_b 10.304873
_cell_length_c 11.742108
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Li4Mn4P12O36
_chemical_formula_sum "Li4 Mn4 P12 O36"
_cell_length_a 5.393716
_cell_length_b 10.304873
_cell_length_c 11.742108
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
RotateAroundAtomAction | e0249385-9d47-448d-8998-50144ceae78d | mp-1173106 | Rotate all surrounding atoms within 3.202 angstrom of the center atom at index 23 by 140.755 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Tb8Cu3Te16
_chemical_formula_sum "Tb8 Cu3 Te16"
_cell_length_a 12.54590591
_cell_length_b 9.86348697
_cell_length_c 8.132721389999999
_cell_angle_alpha 90.14494182
_cell_angle_beta 90.25875977
_cell_angle_gamma 50.522835230000005
_... | data_image0
_chemical_formula_structural Tb8Cu3Te16
_chemical_formula_sum "Tb8 Cu3 Te16"
_cell_length_a 12.54590591
_cell_length_b 9.86348697
_cell_length_c 8.132721389999999
_cell_angle_alpha 90.14494182
_cell_angle_beta 90.25875977
_cell_angle_gamma 50.522835230000005
_... |
RotateAroundAtomAction | 81a84141-86ee-49b6-b182-bf996831ec41 | mp-1931800 | Rotate all surrounding atoms within 3.726 angstrom of the center atom at index 41 by 252.93 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mn13Si2Sb2O28
_chemical_formula_sum "Mn13 Si2 Sb2 O28"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803492
_s... | data_image0
_chemical_formula_structural Mn13Si2Sb2O28
_chemical_formula_sum "Mn13 Si2 Sb2 O28"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803492
_s... |
RotateAroundAtomAction | 0f01b812-140a-48e9-ad59-5d65c848e2ce | mp-680561 | Rotate all surrounding atoms within 2.379 angstrom of the center atom at index 20 by 259.954 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural U10Re6C16
_chemical_formula_sum "U10 Re6 C16"
_cell_length_a 11.40374963
_cell_length_b 11.40374963
_cell_length_c 3.28600681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural U10Re6C16
_chemical_formula_sum "U10 Re6 C16"
_cell_length_a 11.40374963
_cell_length_b 11.40374963
_cell_length_c 3.28600681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
RotateAroundAtomAction | 3d3d5cc1-3418-4be5-ac89-894ce1467773 | mp-1233814 | Rotate all surrounding atoms within 3.515 angstrom of the center atom at index 31 by 73.071 degree around the axis [0. 0. 1.] 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 | 2420c4d5-3747-417e-889a-ae7dc85c3673 | mp-758465 | Rotate all surrounding atoms within 2.262 angstrom of the center atom at index 2 by 137.085 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li8Fe4Si4O16
_chemical_formula_sum "Li8 Fe4 Si4 O16"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li8Fe4Si4O16
_chemical_formula_sum "Li8 Fe4 Si4 O16"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
RotateAroundAtomAction | c52a61ab-22ff-4a5c-9b30-ac9ee8b49edf | mp-25285 | Rotate all surrounding atoms within 2.54 angstrom of the center atom at index 9 by 60.805 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mn4Ni2O12
_chemical_formula_sum "Mn4 Ni2 O12"
_cell_length_a 5.01128075
_cell_length_b 5.01128075
_cell_length_c 10.013213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.047743
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mn4Ni2O12
_chemical_formula_sum "Mn4 Ni2 O12"
_cell_length_a 5.01128075
_cell_length_b 5.01128075
_cell_length_c 10.013213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.047743
_space_group_name_H-M_alt "P 1"... |
RotateAroundAtomAction | 85e6f288-dbb0-40fa-a9f9-7fef2a51028d | mp-1191005 | Rotate all surrounding atoms within 3.935 angstrom of the center atom at index 2 by 197.816 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural La2Br6O14
_chemical_formula_sum "La2 Br6 O14"
_cell_length_a 6.957924
_cell_length_b 7.62667087
_cell_length_c 7.97220483
_cell_angle_alpha 83.96742581
_cell_angle_beta 74.98027024000001
_cell_angle_gamma 89.21936135000001
_space_g... | data_image0
_chemical_formula_structural La2Br6O14
_chemical_formula_sum "La2 Br6 O14"
_cell_length_a 6.957924
_cell_length_b 7.62667087
_cell_length_c 7.97220483
_cell_angle_alpha 83.96742581
_cell_angle_beta 74.98027024000001
_cell_angle_gamma 89.21936135000001
_space_g... |
RotateAroundAtomAction | 1b67177f-549a-49f1-af7a-d42dde512542 | mp-26228 | Rotate all surrounding atoms within 1.7 angstrom of the center atom at index 39 by 310.797 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... |
RotateAroundAtomAction | 457f6e90-7cb3-4ce8-9dce-368861033580 | mp-626835 | Rotate all surrounding atoms within 3.574 angstrom of the center atom at index 25 by 231.751 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural H16Pt2O12
_chemical_formula_sum "H16 Pt2 O12"
_cell_length_a 5.611497
_cell_length_b 5.72181583
_cell_length_c 7.35410691
_cell_angle_alpha 87.23899783
_cell_angle_beta 88.42011408
_cell_angle_gamma 81.50605689
_space_group_name_H-... | data_image0
_chemical_formula_structural H16Pt2O12
_chemical_formula_sum "H16 Pt2 O12"
_cell_length_a 5.611497
_cell_length_b 5.72181583
_cell_length_c 7.35410691
_cell_angle_alpha 87.23899783
_cell_angle_beta 88.42011408
_cell_angle_gamma 81.50605689
_space_group_name_H-... |
RotateAroundAtomAction | 8b38221e-4dc0-42e4-a38b-2a3114626ce4 | mp-1034441 | Rotate all surrounding atoms within 2.301 angstrom of the center atom at index 1 by 85.559 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
RotateAroundAtomAction | 46e6627f-1e5d-44cf-b54b-87f1d23b4acc | mp-1178408 | Rotate all surrounding atoms within 3.518 angstrom of the center atom at index 11 by 75.576 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 864f4b8e-f56e-403e-90fb-11bda62ba916 | mp-1207705 | Rotate all surrounding atoms within 2.144 angstrom of the center atom at index 19 by 280.703 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Tm4Rh4O12
_chemical_formula_sum "Tm4 Rh4 O12"
_cell_length_a 5.17444652
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Tm4Rh4O12
_chemical_formula_sum "Tm4 Rh4 O12"
_cell_length_a 5.17444652
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
RotateAroundAtomAction | dd8feae8-0b1b-410b-888c-3dc995c98e08 | mp-1215346 | Rotate all surrounding atoms within 3.563 angstrom of the center atom at index 4 by 98.857 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 4bf0569d-bf71-4fe8-b044-5723ffdb7e3e | mp-614981 | Rotate all surrounding atoms within 3.027 angstrom of the center atom at index 10 by 184.988 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ba2NdCu3O6
_chemical_formula_sum "Ba2 Nd1 Cu3 O6"
_cell_length_a 3.925227
_cell_length_b 3.925227
_cell_length_c 12.14195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba2NdCu3O6
_chemical_formula_sum "Ba2 Nd1 Cu3 O6"
_cell_length_a 3.925227
_cell_length_b 3.925227
_cell_length_c 12.14195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
RotateAroundAtomAction | cb281589-bb3b-47f1-ae16-fc5608fda544 | mp-1205450 | Rotate all surrounding atoms within 3.765 angstrom of the center atom at index 10 by 261.332 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Pu8Se12
_chemical_formula_sum "Pu8 Se12"
_cell_length_a 11.30759145
_cell_length_b 4.10033936
_cell_length_c 11.20312826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Pu8Se12
_chemical_formula_sum "Pu8 Se12"
_cell_length_a 11.30759145
_cell_length_b 4.10033936
_cell_length_c 11.20312826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
RotateAroundAtomAction | 70585b2f-27f7-4873-bb07-8e591405be31 | mp-1106129 | Rotate all surrounding atoms within 3.472 angstrom of the center atom at index 2 by 137.356 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Bi4Te2Br2O9
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Bi4Te2Br2O9
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
RotateAroundAtomAction | 48f9c641-076c-455e-a6d8-6581ecd3734d | mp-625819 | Rotate all surrounding atoms within 3.568 angstrom of the center atom at index 14 by 199.235 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural H32N8O4
_chemical_formula_sum "H32 N8 O4"
_cell_length_a 9.055844
_cell_length_b 4.428801
_cell_length_c 10.73228277
_cell_angle_alpha 69.28359116
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural H32N8O4
_chemical_formula_sum "H32 N8 O4"
_cell_length_a 9.055844
_cell_length_b 4.428801
_cell_length_c 10.73228277
_cell_angle_alpha 69.28359116
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
RotateAroundAtomAction | 2fa8937e-b93b-457a-a3bd-3a7534e10d1c | mp-30210 | Rotate all surrounding atoms within 3.979 angstrom of the center atom at index 2 by 138.258 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural La10Sn6Cl2
_chemical_formula_sum "La10 Sn6 Cl2"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
_space_gr... | data_image0
_chemical_formula_structural La10Sn6Cl2
_chemical_formula_sum "La10 Sn6 Cl2"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
_space_gr... |
RotateAroundAtomAction | 756b7466-ebd3-4a3f-9330-b7e32b43585f | mp-758053 | Rotate all surrounding atoms within 3.379 angstrom of the center atom at index 9 by 130.468 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Nb2Cr2O8
_chemical_formula_sum "Nb2 Cr2 O8"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space_group... | data_image0
_chemical_formula_structural Nb2Cr2O8
_chemical_formula_sum "Nb2 Cr2 O8"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space_group... |
RotateAroundAtomAction | d54b6379-3ff1-454f-ac1b-ea6ce731c6c0 | mp-630329 | Rotate all surrounding atoms within 3.789 angstrom of the center atom at index 23 by 265.281 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Pb8Se8O24
_chemical_formula_sum "Pb8 Se8 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb8Se8O24
_chemical_formula_sum "Pb8 Se8 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
RotateAroundAtomAction | ba492c7a-f102-43b5-b1cd-9d5ba60b192b | mp-1110620 | Rotate all surrounding atoms within 3.076 angstrom of the center atom at index 2 by 165.56 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... |
RotateAroundAtomAction | 5c192927-7cf4-4548-9907-cbb8ed90b212 | mp-1206399 | Rotate all surrounding atoms within 3.832 angstrom of the center atom at index 2 by 86.749 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... |
RotateAroundAtomAction | 0fa19844-6073-4251-bde2-9b54988ce265 | mp-1212002 | Rotate all surrounding atoms within 3.513 angstrom of the center atom at index 64 by 215.323 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural K8Er8Se16O64
_chemical_formula_sum "K8 Er8 Se16 O64"
_cell_length_a 5.692184
_cell_length_b 9.063673
_cell_length_c 27.753806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural K8Er8Se16O64
_chemical_formula_sum "K8 Er8 Se16 O64"
_cell_length_a 5.692184
_cell_length_b 9.063673
_cell_length_c 27.753806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
RotateAroundAtomAction | f4fa75ce-202e-4ecf-9757-7bbc708e81fe | mp-557384 | Rotate all surrounding atoms within 1.974 angstrom of the center atom at index 35 by 61.09 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg4U4B8O28
_chemical_formula_sum "Mg4 U4 B8 O28"
_cell_length_a 7.393992
_cell_length_b 8.022988
_cell_length_c 9.876277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Mg4U4B8O28
_chemical_formula_sum "Mg4 U4 B8 O28"
_cell_length_a 7.393992
_cell_length_b 8.022988
_cell_length_c 9.876277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
RotateAroundAtomAction | 3610b41e-e4a6-4e13-bd70-e1678746e4af | mp-755275 | Rotate all surrounding atoms within 3.187 angstrom of the center atom at index 3 by 291.864 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li2Fe2Ni2O8
_chemical_formula_sum "Li2 Fe2 Ni2 O8"
_cell_length_a 5.94280347
_cell_length_b 5.94280347
_cell_length_c 5.94280347
_cell_angle_alpha 123.09092136
_cell_angle_beta 122.20304436000002
_cell_angle_gamma 85.47520821000002
... | data_image0
_chemical_formula_structural Li2Fe2Ni2O8
_chemical_formula_sum "Li2 Fe2 Ni2 O8"
_cell_length_a 5.94280347
_cell_length_b 5.94280347
_cell_length_c 5.94280347
_cell_angle_alpha 123.09092136
_cell_angle_beta 122.20304436000002
_cell_angle_gamma 85.47520821000002
... |
SuperCellAction | 9413a182-fca3-4ddf-ba94-ff3e7903b36f | mp-36529 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Na3W10O30
_chemical_formula_sum "Na3 W10 O30"
_cell_length_a 5.504301
_cell_length_b 6.736154
_cell_length_c 16.03167972
_cell_angle_alpha 81.98692636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Na3W10O30Na3W10O30Na3W10O30Na3W10O30Na3W10O30Na3W10O30
_chemical_formula_sum "Na18 W60 O180"
_cell_length_a 11.008602
_cell_length_b 20.208462
_cell_length_c 16.03167972
_cell_angle_alpha 81.98692636
_cell_angle_beta 90.0
_cell_angle_g... |
SuperCellAction | 7a26042f-287e-4c86-9a4a-47f2b9148bd5 | mp-1192151 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... | data_image0
_chemical_formula_structural Rb4Zn10As8Rb4Zn10As8Rb4Zn10As8Rb4Zn10As8Rb4Zn10As8Rb4Zn10As8Rb4Zn10As8Rb4Zn10As8
_chemical_formula_sum "Rb32 Zn80 As64"
_cell_length_a 13.64010766
_cell_length_b 13.640107659999998
_cell_length_c 23.4912828
_cell_angle_alpha 90.0
_cell_ang... |
SuperCellAction | 7587bbde-40e6-4c46-9209-03b4418b8bcc | mp-1190262 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr10Sb6Ru2Zr10Sb6Ru2
_chemical_formula_sum "Zr20 Sb12 Ru4"
_cell_length_a 8.73189757
_cell_length_b 17.46379514
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_... |
SuperCellAction | 176f016e-57fa-4427-9f0c-202a306022fd | mp-1174686 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 4.952558
_cell_length_b 5.12195824
_cell_length_c 10.24540239
_cell_angle_alpha 100.31488782
_cell_angle_beta 98.10248081
_cell_angle_gamma 100.05603004
_space_gro... | data_image0
_chemical_formula_structural Li8Mn2Co4O14Li8Mn2Co4O14
_chemical_formula_sum "Li16 Mn4 Co8 O28"
_cell_length_a 9.905116
_cell_length_b 5.12195824
_cell_length_c 10.24540239
_cell_angle_alpha 100.31488782
_cell_angle_beta 98.10248081
_cell_angle_gamma 100.0560300... |
SuperCellAction | f3818ae7-abb6-4b27-b34f-cb430e5272d1 | mp-776484 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Li12Sn6P16O58
_chemical_formula_sum "Li12 Sn6 P16 O58"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
_space... | data_image0
_chemical_formula_structural Li12Sn6P16O58Li12Sn6P16O58Li12Sn6P16O58Li12Sn6P16O58Li12Sn6P16O58Li12Sn6P16O58Li12Sn6P16O58Li12Sn6P16O58
_chemical_formula_sum "Li96 Sn48 P128 O464"
_cell_length_a 19.77465
_cell_length_b 19.77568316
_cell_length_c 28.1101578
_cell_angle_alph... |
SuperCellAction | e5327d78-4364-45e7-8ca8-179133f6c920 | mp-36982 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Mg2Ti16S32
_chemical_formula_sum "Mg2 Ti16 S32"
_cell_length_a 7.015726
_cell_length_b 9.905398
_cell_length_c 14.009673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Mg2Ti16S32Mg2Ti16S32Mg2Ti16S32Mg2Ti16S32
_chemical_formula_sum "Mg8 Ti64 S128"
_cell_length_a 7.015726
_cell_length_b 19.810796
_cell_length_c 28.019346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | 9596b225-12eb-4806-b03b-83440171fde1 | mp-1214497 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10P6O24F2Ba10P6O24F2Ba10P6O24F2Ba10P6O24F2
_chemical_formula_sum "Ba40 P24 O96 F8"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 31.170576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9... |
SuperCellAction | 6442f8a7-2b91-4072-a4e3-31e05c3b39d5 | mp-534935 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Sr3Pr10Al12Si18N36O18
_chemical_formula_sum "Sr3 Pr10 Al12 Si18 N36 O18"
_cell_length_a 11.70973373
_cell_length_b 11.70973373
_cell_length_c 11.70921533
_cell_angle_alpha 70.56586439999998
_cell_angle_beta 70.5658644
_cell_angle_gamma... | data_image0
_chemical_formula_structural Sr3Pr10Al12Si18N36O18Sr3Pr10Al12Si18N36O18Sr3Pr10Al12Si18N36O18Sr3Pr10Al12Si18N36O18
_chemical_formula_sum "Sr12 Pr40 Al48 Si72 N144 O72"
_cell_length_a 23.41946746
_cell_length_b 23.41946746
_cell_length_c 11.70921533
_cell_angle_alpha 70... |
SuperCellAction | c1e00c7e-0f9e-4476-83b9-6be4642688da | mp-5626 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural K12Sb4Te12
_chemical_formula_sum "K12 Sb4 Te12"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural K12Sb4Te12K12Sb4Te12K12Sb4Te12K12Sb4Te12
_chemical_formula_sum "K48 Sb16 Te48"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 41.8838194
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | b9adb21a-6964-4a0b-b38a-688e4337a308 | mp-772666 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Li4Cr4O14
_chemical_formula_sum "Li4 Cr4 O14"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_space_grou... | data_image0
_chemical_formula_structural Li4Cr4O14Li4Cr4O14Li4Cr4O14Li4Cr4O14
_chemical_formula_sum "Li16 Cr16 O56"
_cell_length_a 7.362134
_cell_length_b 28.89498532
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamm... |
SuperCellAction | 4df2dcb7-d6e0-42eb-bf9c-4ec76f129704 | mp-1214285 | Create a supercell with the size 4X1X1. | 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 Be8Si8Ag16O32Be8Si8Ag16O32Be8Si8Ag16O32Be8Si8Ag16O32
_chemical_formula_sum "Be32 Si32 Ag64 O128"
_cell_length_a 20.174868
_cell_length_b 10.149675
_cell_length_c 14.40424
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 039a742a-2519-4718-b930-8736d88c0124 | mp-580962 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Rb2C4I6N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Rb2C4I6N4Rb2C4I6N4
_chemical_formula_sum "Rb4 C8 I12 N8"
_cell_length_a 9.224902
_cell_length_b 7.362252
_cell_length_c 16.094826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SuperCellAction | 9dad388a-121e-4090-ac38-40b3e9aa5946 | mp-6192 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Ba2DySbO6
_chemical_formula_sum "Ba2 Dy1 Sb1 O6"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... | data_image0
_chemical_formula_structural Ba2DySbO6Ba2DySbO6
_chemical_formula_sum "Ba4 Dy2 Sb2 O12"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 12.054187900000002
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_... |
SuperCellAction | caf284e2-1bb7-4583-974a-932f386368a2 | mp-771389 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Li8V12Bi4O32
_chemical_formula_sum "Li8 V12 Bi4 O32"
_cell_length_a 8.71215
_cell_length_b 8.79877885
_cell_length_c 8.80335959
_cell_angle_alpha 89.98981681000001
_cell_angle_beta 89.94922797
_cell_angle_gamma 89.77499762
_space_g... | data_image0
_chemical_formula_structural Li8V12Bi4O32Li8V12Bi4O32Li8V12Bi4O32Li8V12Bi4O32Li8V12Bi4O32Li8V12Bi4O32Li8V12Bi4O32Li8V12Bi4O32
_chemical_formula_sum "Li64 V96 Bi32 O256"
_cell_length_a 34.8486
_cell_length_b 17.5975577
_cell_length_c 8.80335959
_cell_angle_alpha 89.989... |
SuperCellAction | d0663e3c-be1f-4ae9-9943-2bda53be2e85 | mp-6606 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Sr2Y2Si8N14
_chemical_formula_sum "Sr2 Y2 Si8 N14"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_group_na... | data_image0
_chemical_formula_structural Sr2Y2Si8N14Sr2Y2Si8N14Sr2Y2Si8N14Sr2Y2Si8N14Sr2Y2Si8N14Sr2Y2Si8N14
_chemical_formula_sum "Sr12 Y12 Si48 N84"
_cell_length_a 18.18440739
_cell_length_b 6.061469130000001
_cell_length_c 19.776288
_cell_angle_alpha 90.0
_cell_angle_beta 9... |
SuperCellAction | 76b88d5e-84e1-41af-a889-d557c25a4c70 | mp-777562 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Li10Mn3F16
_chemical_formula_sum "Li10 Mn3 F16"
_cell_length_a 10.26234743
_cell_length_b 10.26234743
_cell_length_c 10.26234763
_cell_angle_alpha 34.448470730000004
_cell_angle_beta 34.448470730000004
_cell_angle_gamma 34.448468579... | data_image0
_chemical_formula_structural Li10Mn3F16Li10Mn3F16Li10Mn3F16
_chemical_formula_sum "Li30 Mn9 F48"
_cell_length_a 30.787042290000002
_cell_length_b 10.26234743
_cell_length_c 10.26234763
_cell_angle_alpha 34.448470730000004
_cell_angle_beta 34.448470730000004
_cell_... |
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