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 | 6eecf19e-fdc7-4efd-9c86-5c9770065d1e | mp-9481 | Rotate all surrounding atoms within 2.865 angstrom of the center atom at index 9 by 61.563 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Tc4S8
_chemical_formula_sum "Tc4 S8"
_cell_length_a 6.38134449
_cell_length_b 6.48675849
_cell_length_c 6.95590854
_cell_angle_alpha 65.62866346
_cell_angle_beta 76.93457244
_cell_angle_gamma 61.067347579999996
_space_group_name_H-... | data_image0
_chemical_formula_structural Tc4S8
_chemical_formula_sum "Tc4 S8"
_cell_length_a 6.38134449
_cell_length_b 6.48675849
_cell_length_c 6.95590854
_cell_angle_alpha 65.62866346
_cell_angle_beta 76.93457244
_cell_angle_gamma 61.067347579999996
_space_group_name_H-... |
RotateAroundAtomAction | fee1eebc-5990-457d-8353-0896fe074a7b | mp-1346690 | Rotate all surrounding atoms within 3.113 angstrom of the center atom at index 21 by 153.394 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.72597
_cell_length_b 7.04770682
_cell_length_c 7.12831135
_cell_angle_alpha 75.45766706
_cell_angle_beta 63.34739348
_cell_angle_gamma 80.09216731
_space_group_nam... | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.72597
_cell_length_b 7.04770682
_cell_length_c 7.12831135
_cell_angle_alpha 75.45766706
_cell_angle_beta 63.34739348
_cell_angle_gamma 80.09216731
_space_group_nam... |
RotateAroundAtomAction | a1b3789a-6e4d-4baa-bef6-a48200a1b013 | mp-1191000 | Rotate all surrounding atoms within 3.14 angstrom of the center atom at index 4 by 68.477 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Eu6Si4Ni12
_chemical_formula_sum "Eu6 Si4 Ni12"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Eu6Si4Ni12
_chemical_formula_sum "Eu6 Si4 Ni12"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... |
RotateAroundAtomAction | 9cee3640-e427-4326-bdb7-dd8ea5ab96b7 | mp-1102507 | Rotate all surrounding atoms within 3.459 angstrom of the center atom at index 7 by 266.759 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Nd4Mn8
_chemical_formula_sum "Nd4 Mn8"
_cell_length_a 5.25096293
_cell_length_b 5.25096293
_cell_length_c 8.847382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.69185823
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Nd4Mn8
_chemical_formula_sum "Nd4 Mn8"
_cell_length_a 5.25096293
_cell_length_b 5.25096293
_cell_length_c 8.847382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.69185823
_space_group_name_H-M_alt "P 1"
_spac... |
RotateAroundAtomAction | 29b44ba6-b3f8-41fc-99b3-75415cfef73f | mp-28408 | Rotate all surrounding atoms within 2.714 angstrom of the center atom at index 12 by 78.821 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural K4Tc4Cl12
_chemical_formula_sum "K4 Tc4 Cl12"
_cell_length_a 8.32995358
_cell_length_b 8.32995358
_cell_length_c 9.06021125
_cell_angle_alpha 86.36834409000001
_cell_angle_beta 86.36834409000001
_cell_angle_gamma 118.29012382999998
... | data_image0
_chemical_formula_structural K4Tc4Cl12
_chemical_formula_sum "K4 Tc4 Cl12"
_cell_length_a 8.32995358
_cell_length_b 8.32995358
_cell_length_c 9.06021125
_cell_angle_alpha 86.36834409000001
_cell_angle_beta 86.36834409000001
_cell_angle_gamma 118.29012382999998
... |
RotateAroundAtomAction | d4385b23-f6af-48a8-b404-f9e8997d8b28 | mp-1106104 | Rotate all surrounding atoms within 3.781 angstrom of the center atom at index 11 by 79.057 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Al2I6N10
_chemical_formula_sum "Al2 I6 N10"
_cell_length_a 7.5444443
_cell_length_b 7.5444443
_cell_length_c 7.84713676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 125.33569956
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al2I6N10
_chemical_formula_sum "Al2 I6 N10"
_cell_length_a 7.5444443
_cell_length_b 7.5444443
_cell_length_c 7.84713676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 125.33569956
_space_group_name_H-M_alt "P 1"
... |
RotateAroundAtomAction | c3a0e821-dca4-4639-b868-bfa1cabddfc8 | mp-1203797 | Rotate all surrounding atoms within 3.95 angstrom of the center atom at index 71 by 64.29 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Nd26B8O52
_chemical_formula_sum "Nd26 B8 O52"
_cell_length_a 12.775934
_cell_length_b 6.799471
_cell_length_c 14.426337179999999
_cell_angle_alpha 80.3467461
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd26B8O52
_chemical_formula_sum "Nd26 B8 O52"
_cell_length_a 12.775934
_cell_length_b 6.799471
_cell_length_c 14.426337179999999
_cell_angle_alpha 80.3467461
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 31bfb925-372e-4788-9873-11b7e9fcac33 | mp-759828 | Rotate all surrounding atoms within 2.826 angstrom of the center atom at index 4 by 310.809 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... |
RotateAroundAtomAction | aa3d326d-ad60-4819-9efe-ad63c0f38683 | mp-580525 | Rotate all surrounding atoms within 3.182 angstrom of the center atom at index 45 by 100.183 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_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 Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_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 | 2fda1f19-daa4-4452-98c4-3e2950d4eb4d | mp-1175149 | Rotate all surrounding atoms within 3.939 angstrom of the center atom at index 19 by 262.654 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li7Mn4CoO12
_chemical_formula_sum "Li7 Mn4 Co1 O12"
_cell_length_a 5.90637818
_cell_length_b 5.94372961
_cell_length_c 6.47153345
_cell_angle_alpha 103.60947684000001
_cell_angle_beta 104.56002002
_cell_angle_gamma 87.4318284
_spac... | data_image0
_chemical_formula_structural Li7Mn4CoO12
_chemical_formula_sum "Li7 Mn4 Co1 O12"
_cell_length_a 5.90637818
_cell_length_b 5.94372961
_cell_length_c 6.47153345
_cell_angle_alpha 103.60947684000001
_cell_angle_beta 104.56002002
_cell_angle_gamma 87.4318284
_spac... |
RotateAroundAtomAction | e5bbebf6-9cd4-4fe6-8647-c91ade745145 | mp-1033833 | Rotate all surrounding atoms within 2.122 angstrom of the center atom at index 14 by 300.484 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... |
RotateAroundAtomAction | 7728f1bd-a2fc-4df3-8cce-85771d47a6ac | mp-768385 | Rotate all surrounding atoms within 3.657 angstrom of the center atom at index 38 by 61.602 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ba8Y4Br28
_chemical_formula_sum "Ba8 Y4 Br28"
_cell_length_a 18.238748
_cell_length_b 7.685806
_cell_length_c 14.66278223
_cell_angle_alpha 58.734098530000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba8Y4Br28
_chemical_formula_sum "Ba8 Y4 Br28"
_cell_length_a 18.238748
_cell_length_b 7.685806
_cell_length_c 14.66278223
_cell_angle_alpha 58.734098530000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | ebbbe262-b889-4af9-a74f-0d55e18c755f | mp-1022085 | Rotate all surrounding atoms within 3.598 angstrom of the center atom at index 11 by 269.074 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg12Cu2B2
_chemical_formula_sum "Mg12 Cu2 B2"
_cell_length_a 4.488917
_cell_length_b 6.402117
_cell_length_c 10.176511
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Mg12Cu2B2
_chemical_formula_sum "Mg12 Cu2 B2"
_cell_length_a 4.488917
_cell_length_b 6.402117
_cell_length_c 10.176511
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
RotateAroundAtomAction | 3c461185-a0f7-4c97-bf48-6c14c02db179 | mp-1272815 | Rotate all surrounding atoms within 2.208 angstrom of the center atom at index 4 by 108.131 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sr4Co4O12
_chemical_formula_sum "Sr4 Co4 O12"
_cell_length_a 5.49019555
_cell_length_b 6.73615954
_cell_length_c 6.73608611
_cell_angle_alpha 70.94369734
_cell_angle_beta 90.0001565
_cell_angle_gamma 90.00014446
_space_group_name_H... | data_image0
_chemical_formula_structural Sr4Co4O12
_chemical_formula_sum "Sr4 Co4 O12"
_cell_length_a 5.49019555
_cell_length_b 6.73615954
_cell_length_c 6.73608611
_cell_angle_alpha 70.94369734
_cell_angle_beta 90.0001565
_cell_angle_gamma 90.00014446
_space_group_name_H... |
RotateAroundAtomAction | 2e381b37-f4f5-494c-b698-6cee5c55d8eb | mp-722245 | Rotate all surrounding atoms within 3.743 angstrom of the center atom at index 34 by 287.275 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural K8H8C8S8N8O4
_chemical_formula_sum "K8 H8 C8 S8 N8 O4"
_cell_length_a 8.118295
_cell_length_b 9.880075
_cell_length_c 10.361205
_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 K8H8C8S8N8O4
_chemical_formula_sum "K8 H8 C8 S8 N8 O4"
_cell_length_a 8.118295
_cell_length_b 9.880075
_cell_length_c 10.361205
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
RotateAroundAtomAction | 03b51d04-7349-4e11-ae93-e8205da86106 | mp-1046251 | Rotate all surrounding atoms within 2.767 angstrom of the center atom at index 8 by 99.318 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... |
RotateAroundAtomAction | 59fc901f-67f5-4f8f-ab75-6e6d2984af8e | mp-849612 | Rotate all surrounding atoms within 1.937 angstrom of the center atom at index 25 by 47.12 degree around the axis [ 0. 0. -1.] 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 | f18a8373-31de-4158-a81c-f9268c6183db | mp-768242 | Rotate all surrounding atoms within 3.274 angstrom of the center atom at index 6 by 147.189 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Pt4O12
_chemical_formula_sum "Pt4 O12"
_cell_length_a 4.92863
_cell_length_b 5.027478
_cell_length_c 7.210065
_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_nu... | data_image0
_chemical_formula_structural Pt4O12
_chemical_formula_sum "Pt4 O12"
_cell_length_a 4.92863
_cell_length_b 5.027478
_cell_length_c 7.210065
_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_nu... |
RotateAroundAtomAction | d4c512d7-af9b-4900-b2a6-4ce0992e7f69 | mp-1216937 | Rotate all surrounding atoms within 2.165 angstrom of the center atom at index 21 by 48.48 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ti4Nb4H4O20
_chemical_formula_sum "Ti4 Nb4 H4 O20"
_cell_length_a 3.817738
_cell_length_b 6.581201
_cell_length_c 16.933684
_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 Ti4Nb4H4O20
_chemical_formula_sum "Ti4 Nb4 H4 O20"
_cell_length_a 3.817738
_cell_length_b 6.581201
_cell_length_c 16.933684
_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 | 1a994b6e-64ae-42b9-9b36-536db5b316c1 | mp-1552 | Rotate all surrounding atoms within 2.176 angstrom of the center atom at index 11 by 220.299 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mo8C4
_chemical_formula_sum "Mo8 C4"
_cell_length_a 4.7285431
_cell_length_b 5.20975702
_cell_length_c 6.05260249
_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_I... | data_image0
_chemical_formula_structural Mo8C4
_chemical_formula_sum "Mo8 C4"
_cell_length_a 4.7285431
_cell_length_b 5.20975702
_cell_length_c 6.05260249
_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_I... |
RotateAroundAtomAction | 50239290-425a-4006-a541-608c0b18fb96 | mp-1223619 | Rotate all surrounding atoms within 2.16 angstrom of the center atom at index 36 by 144.58 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg4Al4Si16O60
_chemical_formula_sum "Mg4 Al4 Si16 O60"
_cell_length_a 5.36580177
_cell_length_b 12.84649751
_cell_length_c 18.23494156
_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 Mg4Al4Si16O60
_chemical_formula_sum "Mg4 Al4 Si16 O60"
_cell_length_a 5.36580177
_cell_length_b 12.84649751
_cell_length_c 18.23494156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 6d65623b-23f8-44e7-b681-8342e28e2ec9 | mp-2217073 | Rotate all surrounding atoms within 2.741 angstrom of the center atom at index 1 by 216.67 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural MgTi3O6
_chemical_formula_sum "Mg1 Ti3 O6"
_cell_length_a 5.13118942
_cell_length_b 7.32673673
_cell_length_c 2.93737545
_cell_angle_alpha 78.42218677
_cell_angle_beta 90.06910925
_cell_angle_gamma 89.62369234000002
_space_group_na... | data_image0
_chemical_formula_structural MgTi3O6
_chemical_formula_sum "Mg1 Ti3 O6"
_cell_length_a 5.13118942
_cell_length_b 7.32673673
_cell_length_c 2.93737545
_cell_angle_alpha 78.42218677
_cell_angle_beta 90.06910925
_cell_angle_gamma 89.62369234000002
_space_group_na... |
RotateAroundAtomAction | b7274e13-dbb0-4b25-8e57-f2715dce83d3 | mp-757162 | Rotate all surrounding atoms within 3.274 angstrom of the center atom at index 8 by 256.987 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Bi6O8F2
_chemical_formula_sum "Bi6 O8 F2"
_cell_length_a 5.854082
_cell_length_b 5.765438
_cell_length_c 9.08894986
_cell_angle_alpha 80.93159899
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Bi6O8F2
_chemical_formula_sum "Bi6 O8 F2"
_cell_length_a 5.854082
_cell_length_b 5.765438
_cell_length_c 9.08894986
_cell_angle_alpha 80.93159899
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
RotateAroundAtomAction | b2e6864b-c540-4af6-b16b-fc3c95d155fb | mp-1104064 | Rotate all surrounding atoms within 2.904 angstrom of the center atom at index 10 by 230.156 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Zn2H2I2O8
_chemical_formula_sum "Zn2 H2 I2 O8"
_cell_length_a 5.490621
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma 83.90990428
_space_group_... | data_image0
_chemical_formula_structural Zn2H2I2O8
_chemical_formula_sum "Zn2 H2 I2 O8"
_cell_length_a 5.490621
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma 83.90990428
_space_group_... |
RotateAroundAtomAction | d138f77e-82c9-41c5-8201-e08092e7ebf3 | mp-549058 | Rotate all surrounding atoms within 2.356 angstrom of the center atom at index 12 by 174.234 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ba4Fe4Se4O2F4
_chemical_formula_sum "Ba4 Fe4 Se4 O2 F4"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90.00067... | data_image0
_chemical_formula_structural Ba4Fe4Se4O2F4
_chemical_formula_sum "Ba4 Fe4 Se4 O2 F4"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90.00067... |
RotateAroundAtomAction | a8469cd3-1d80-420e-86e5-8c6477a92989 | mp-1519666 | Rotate all surrounding atoms within 2.801 angstrom of the center atom at index 4 by 128.699 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sr2CeZrO6
_chemical_formula_sum "Sr2 Ce1 Zr1 O6"
_cell_length_a 6.10087518
_cell_length_b 6.100875180000001
_cell_length_c 6.10087518
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.000000... | data_image0
_chemical_formula_structural Sr2CeZrO6
_chemical_formula_sum "Sr2 Ce1 Zr1 O6"
_cell_length_a 6.10087518
_cell_length_b 6.100875180000001
_cell_length_c 6.10087518
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.000000... |
RotateAroundAtomAction | 8d1b1725-acc2-41ce-85f0-48068efea2f1 | mp-1246950 | Rotate all surrounding atoms within 2.974 angstrom of the center atom at index 14 by 210.609 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural MnC8N6
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_spa... | data_image0
_chemical_formula_structural MnC8N6
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_spa... |
RotateAroundAtomAction | 2ce1b790-4599-4e2f-a0fc-3188a9b60d33 | mp-18133 | Rotate all surrounding atoms within 3.488 angstrom of the center atom at index 22 by 235.164 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Zr8Co16P12
_chemical_formula_sum "Zr8 Co16 P12"
_cell_length_a 12.01426533
_cell_length_b 12.0152633
_cell_length_c 3.65191901
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99873488999998
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Zr8Co16P12
_chemical_formula_sum "Zr8 Co16 P12"
_cell_length_a 12.01426533
_cell_length_b 12.0152633
_cell_length_c 3.65191901
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99873488999998
_space_group_name_H-M_... |
RotateAroundAtomAction | 45ff34aa-99c4-4351-a205-e6a72393a02f | mp-569862 | Rotate all surrounding atoms within 2.608 angstrom of the center atom at index 19 by 87.217 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Rb8P4Se18
_chemical_formula_sum "Rb8 P4 Se18"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... | data_image0
_chemical_formula_structural Rb8P4Se18
_chemical_formula_sum "Rb8 P4 Se18"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... |
RotateAroundAtomAction | 2bf2fcfe-d70e-45ad-81f8-611088d07e71 | mp-868007 | Rotate all surrounding atoms within 2.082 angstrom of the center atom at index 4 by 211.863 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li3CuNi3O8
_chemical_formula_sum "Li3 Cu1 Ni3 O8"
_cell_length_a 5.8360728
_cell_length_b 5.8360728
_cell_length_c 5.83607304
_cell_angle_alpha 59.329335500000006
_cell_angle_beta 59.32933549999999
_cell_angle_gamma 59.3293311699999... | data_image0
_chemical_formula_structural Li3CuNi3O8
_chemical_formula_sum "Li3 Cu1 Ni3 O8"
_cell_length_a 5.8360728
_cell_length_b 5.8360728
_cell_length_c 5.83607304
_cell_angle_alpha 59.329335500000006
_cell_angle_beta 59.32933549999999
_cell_angle_gamma 59.3293311699999... |
RotateAroundAtomAction | 1e970760-765b-432a-a2ec-cafd223d8487 | mp-1190284 | Rotate all surrounding atoms within 3.796 angstrom of the center atom at index 4 by 66.589 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Bi8Se9
_chemical_formula_sum "Bi8 Se9"
_cell_length_a 4.20604969
_cell_length_b 4.20604969
_cell_length_c 34.32393858
_cell_angle_alpha 86.52853567
_cell_angle_beta 86.52853567
_cell_angle_gamma 60.00181730999999
_space_group_name_... | data_image0
_chemical_formula_structural Bi8Se9
_chemical_formula_sum "Bi8 Se9"
_cell_length_a 4.20604969
_cell_length_b 4.20604969
_cell_length_c 34.32393858
_cell_angle_alpha 86.52853567
_cell_angle_beta 86.52853567
_cell_angle_gamma 60.00181730999999
_space_group_name_... |
RotateAroundAtomAction | 81534926-b5b3-4339-9463-42d9c98360b8 | mp-505098 | Rotate all surrounding atoms within 3.667 angstrom of the center atom at index 24 by 53.247 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Fe8Se12O48
_chemical_formula_sum "Fe8 Se12 O48"
_cell_length_a 8.93422158
_cell_length_b 8.57045447
_cell_length_c 14.581498490000001
_cell_angle_alpha 55.32907682
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Fe8Se12O48
_chemical_formula_sum "Fe8 Se12 O48"
_cell_length_a 8.93422158
_cell_length_b 8.57045447
_cell_length_c 14.581498490000001
_cell_angle_alpha 55.32907682
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
RotateAroundAtomAction | c27eedd3-bc5f-4b02-975e-ba19c099a29b | mp-768070 | Rotate all surrounding atoms within 2.198 angstrom of the center atom at index 43 by 232.693 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na8Ni4P4C4O28
_chemical_formula_sum "Na8 Ni4 P4 C4 O28"
_cell_length_a 10.09848388
_cell_length_b 10.32168703
_cell_length_c 6.66640153
_cell_angle_alpha 90.48000207
_cell_angle_beta 90.24369472999999
_cell_angle_gamma 60.59041195
... | data_image0
_chemical_formula_structural Na8Ni4P4C4O28
_chemical_formula_sum "Na8 Ni4 P4 C4 O28"
_cell_length_a 10.09848388
_cell_length_b 10.32168703
_cell_length_c 6.66640153
_cell_angle_alpha 90.48000207
_cell_angle_beta 90.24369472999999
_cell_angle_gamma 60.59041195
... |
RotateAroundAtomAction | aa7e5b0b-2684-491d-99fc-c27491fa67ef | mp-570258 | Rotate all surrounding atoms within 3.082 angstrom of the center atom at index 15 by 76.563 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ca6Al4N8
_chemical_formula_sum "Ca6 Al4 N8"
_cell_length_a 6.70681437
_cell_length_b 6.70681437
_cell_length_c 5.49639854
_cell_angle_alpha 88.31770329999999
_cell_angle_beta 88.31770329999999
_cell_angle_gamma 75.76571166
_space_g... | data_image0
_chemical_formula_structural Ca6Al4N8
_chemical_formula_sum "Ca6 Al4 N8"
_cell_length_a 6.70681437
_cell_length_b 6.70681437
_cell_length_c 5.49639854
_cell_angle_alpha 88.31770329999999
_cell_angle_beta 88.31770329999999
_cell_angle_gamma 75.76571166
_space_g... |
RotateAroundAtomAction | 56399d4a-a04e-4919-9e67-5e9ce4eeb567 | mp-20083 | Rotate all surrounding atoms within 3.121 angstrom of the center atom at index 5 by 220.331 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 | 620856f9-67ac-4147-aa8f-5408664a1436 | mp-1196873 | Rotate all surrounding atoms within 2.664 angstrom of the center atom at index 11 by 109.414 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Er6Co8Ge26
_chemical_formula_sum "Er6 Co8 Ge26"
_cell_length_a 8.763719
_cell_length_b 8.763719
_cell_length_c 8.763719
_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 Er6Co8Ge26
_chemical_formula_sum "Er6 Co8 Ge26"
_cell_length_a 8.763719
_cell_length_b 8.763719
_cell_length_c 8.763719
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
RotateAroundAtomAction | 20c813b5-6cca-49b3-a95d-b6591ae61bbe | mp-26941 | Rotate all surrounding atoms within 1.625 angstrom of the center atom at index 12 by 304.746 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_space_g... | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_space_g... |
RotateAroundAtomAction | d53cc901-0b73-4cda-a2b4-7d0a2764c497 | mp-2231123 | Rotate all surrounding atoms within 2.145 angstrom of the center atom at index 5 by 221.544 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na4MgTi2Ge2O10
_chemical_formula_sum "Na4 Mg1 Ti2 Ge2 O10"
_cell_length_a 5.8387014
_cell_length_b 6.63496181
_cell_length_c 6.63496181
_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 Na4MgTi2Ge2O10
_chemical_formula_sum "Na4 Mg1 Ti2 Ge2 O10"
_cell_length_a 5.8387014
_cell_length_b 6.63496181
_cell_length_c 6.63496181
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | c253a084-6966-472f-b3f6-8ed34eef956d | mp-1225622 | Rotate all surrounding atoms within 3.07 angstrom of the center atom at index 9 by 235.11 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Er4Al4Fe4
_chemical_formula_sum "Er4 Al4 Fe4"
_cell_length_a 5.38654356
_cell_length_b 5.386450749999999
_cell_length_c 8.523462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 59.771681419999986
_space_group_name_H-... | data_image0
_chemical_formula_structural Er4Al4Fe4
_chemical_formula_sum "Er4 Al4 Fe4"
_cell_length_a 5.38654356
_cell_length_b 5.386450749999999
_cell_length_c 8.523462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 59.771681419999986
_space_group_name_H-... |
RotateAroundAtomAction | f25c332e-83dd-4eb6-afef-b82f19e38ef0 | mp-1220943 | Rotate all surrounding atoms within 3.333 angstrom of the center atom at index 43 by 237.783 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na8Al8Si8O32
_chemical_formula_sum "Na8 Al8 Si8 O32"
_cell_length_a 8.45517465
_cell_length_b 10.06538869
_cell_length_c 10.03117965
_cell_angle_alpha 119.93793984
_cell_angle_beta 90.17036924
_cell_angle_gamma 89.76689811
_space_g... | data_image0
_chemical_formula_structural Na8Al8Si8O32
_chemical_formula_sum "Na8 Al8 Si8 O32"
_cell_length_a 8.45517465
_cell_length_b 10.06538869
_cell_length_c 10.03117965
_cell_angle_alpha 119.93793984
_cell_angle_beta 90.17036924
_cell_angle_gamma 89.76689811
_space_g... |
RotateAroundAtomAction | 3c4e37fc-bfe5-47cb-a600-53fd52154b2c | mp-696656 | Rotate all surrounding atoms within 2.769 angstrom of the center atom at index 39 by 126.583 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural B4H16O8F12
_chemical_formula_sum "B4 H16 O8 F12"
_cell_length_a 7.43387
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural B4H16O8F12
_chemical_formula_sum "B4 H16 O8 F12"
_cell_length_a 7.43387
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
RotateAroundAtomAction | dc722078-0b57-49ab-84fa-06a4f8c2aa08 | mp-1212741 | Rotate all surrounding atoms within 2.077 angstrom of the center atom at index 31 by 313.91 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Eu2Al6B8O24
_chemical_formula_sum "Eu2 Al6 B8 O24"
_cell_length_a 5.96691806
_cell_length_b 5.96691806
_cell_length_c 11.285481099999998
_cell_angle_alpha 81.50343243
_cell_angle_beta 81.50343243
_cell_angle_gamma 104.10647599
_spa... | data_image0
_chemical_formula_structural Eu2Al6B8O24
_chemical_formula_sum "Eu2 Al6 B8 O24"
_cell_length_a 5.96691806
_cell_length_b 5.96691806
_cell_length_c 11.285481099999998
_cell_angle_alpha 81.50343243
_cell_angle_beta 81.50343243
_cell_angle_gamma 104.10647599
_spa... |
RotateAroundAtomAction | ef6167ea-be55-40ce-b4f7-f9e6aed9fdc2 | mp-1111891 | Rotate all surrounding atoms within 3.838 angstrom of the center atom at index 1 by 58.925 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na3LuCl6
_chemical_formula_sum "Na3 Lu1 Cl6"
_cell_length_a 7.43056797
_cell_length_b 7.43056797
_cell_length_c 7.43056797
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Na3LuCl6
_chemical_formula_sum "Na3 Lu1 Cl6"
_cell_length_a 7.43056797
_cell_length_b 7.43056797
_cell_length_c 7.43056797
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... |
RotateAroundAtomAction | fbf1ffde-8f5b-4490-b039-f20a40339e99 | mp-1147529 | Rotate all surrounding atoms within 2.436 angstrom of the center atom at index 5 by 255.896 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ba4Cu3BrO6
_chemical_formula_sum "Ba4 Cu3 Br1 O6"
_cell_length_a 6.92670674
_cell_length_b 6.92670674
_cell_length_c 6.92670674
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Ba4Cu3BrO6
_chemical_formula_sum "Ba4 Cu3 Br1 O6"
_cell_length_a 6.92670674
_cell_length_b 6.92670674
_cell_length_c 6.92670674
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... |
RotateAroundAtomAction | a257d455-f3c4-4aec-8de7-552386f6c57c | mp-761916 | Rotate all surrounding atoms within 1.604 angstrom of the center atom at index 47 by 170.071 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na4H16Au4Br16O8
_chemical_formula_sum "Na4 H16 Au4 Br16 O8"
_cell_length_a 7.60692
_cell_length_b 9.490718
_cell_length_c 13.416992
_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 Na4H16Au4Br16O8
_chemical_formula_sum "Na4 H16 Au4 Br16 O8"
_cell_length_a 7.60692
_cell_length_b 9.490718
_cell_length_c 13.416992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
RotateAroundAtomAction | 3b7d06e9-6525-4b21-a089-102d398da884 | mp-15203 | Rotate all surrounding atoms within 3.903 angstrom of the center atom at index 43 by 69.082 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... |
RotateAroundAtomAction | ccf347f1-2f13-4da2-896f-53e6599bfa4c | mp-30215 | Rotate all surrounding atoms within 3.595 angstrom of the center atom at index 41 by 284.571 degree around the axis [-1. 0. 0.] 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 | 433da937-9df5-467a-8c14-d72e9db84e43 | mp-1043069 | Rotate all surrounding atoms within 1.929 angstrom of the center atom at index 10 by 131.874 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural ZnCr4Cu3O12
_chemical_formula_sum "Zn1 Cr4 Cu3 O12"
_cell_length_a 6.35183077
_cell_length_b 6.365661799999999
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma 109.42098417... | data_image0
_chemical_formula_structural ZnCr4Cu3O12
_chemical_formula_sum "Zn1 Cr4 Cu3 O12"
_cell_length_a 6.35183077
_cell_length_b 6.365661799999999
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma 109.42098417... |
RotateAroundAtomAction | 2d017360-e631-4540-a0e1-54525852b4dd | mp-1173960 | Rotate all surrounding atoms within 3.728 angstrom of the center atom at index 9 by 94.193 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li6Co4O10
_chemical_formula_sum "Li6 Co4 O10"
_cell_length_a 4.951427
_cell_length_b 5.02580814
_cell_length_c 7.56259108
_cell_angle_alpha 71.79910587
_cell_angle_beta 72.19121182000002
_cell_angle_gamma 79.81802241
_space_group_n... | data_image0
_chemical_formula_structural Li6Co4O10
_chemical_formula_sum "Li6 Co4 O10"
_cell_length_a 4.951427
_cell_length_b 5.02580814
_cell_length_c 7.56259108
_cell_angle_alpha 71.79910587
_cell_angle_beta 72.19121182000002
_cell_angle_gamma 79.81802241
_space_group_n... |
RotateAroundAtomAction | 93ac55b6-38c7-422d-b904-462b886e2a77 | mp-1212178 | Rotate all surrounding atoms within 2.205 angstrom of the center atom at index 68 by 87.331 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 | 3eb10a8d-a150-4c51-83c6-5aad62882efd | mp-1246265 | Rotate all surrounding atoms within 2.639 angstrom of the center atom at index 9 by 240.89 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Co2Ni10N8
_chemical_formula_sum "Co2 Ni10 N8"
_cell_length_a 8.954768
_cell_length_b 5.75865
_cell_length_c 3.969603
_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 Co2Ni10N8
_chemical_formula_sum "Co2 Ni10 N8"
_cell_length_a 8.954768
_cell_length_b 5.75865
_cell_length_c 3.969603
_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 | d533e358-f52c-419a-86c4-391feb885c50 | mp-628951 | Rotate all surrounding atoms within 3.915 angstrom of the center atom at index 5 by 262.109 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural V8P8O36
_chemical_formula_sum "V8 P8 O36"
_cell_length_a 7.52725
_cell_length_b 8.549103
_cell_length_c 9.692043
_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 V8P8O36
_chemical_formula_sum "V8 P8 O36"
_cell_length_a 7.52725
_cell_length_b 8.549103
_cell_length_c 9.692043
_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 | d47625b6-96f3-47ef-8fa6-cd7a94f1d112 | mp-1235624 | Rotate all surrounding atoms within 2.806 angstrom of the center atom at index 5 by 278.047 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural LiAl2Cu2O6
_chemical_formula_sum "Li1 Al2 Cu2 O6"
_cell_length_a 3.037194
_cell_length_b 3.03719336
_cell_length_c 13.313027
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998516999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural LiAl2Cu2O6
_chemical_formula_sum "Li1 Al2 Cu2 O6"
_cell_length_a 3.037194
_cell_length_b 3.03719336
_cell_length_c 13.313027
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998516999999
_space_group_name_H-M_al... |
RotateAroundAtomAction | 1d46fc69-56f3-4022-a8d1-a16ebd69bee5 | mp-27013 | Rotate all surrounding atoms within 1.565 angstrom of the center atom at index 85 by 228.92 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... | data_image0
_chemical_formula_structural Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... |
RotateAroundAtomAction | d382e12a-d1dc-48d1-a1e4-9a0a335aa978 | mp-540818 | Rotate all surrounding atoms within 3.507 angstrom of the center atom at index 31 by 133.869 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Tl8Ge8Se20
_chemical_formula_sum "Tl8 Ge8 Se20"
_cell_length_a 11.17155027
_cell_length_b 11.17155027
_cell_length_c 9.12595111
_cell_angle_alpha 78.15865084
_cell_angle_beta 78.15865084
_cell_angle_gamma 89.72956838
_space_group_n... | data_image0
_chemical_formula_structural Tl8Ge8Se20
_chemical_formula_sum "Tl8 Ge8 Se20"
_cell_length_a 11.17155027
_cell_length_b 11.17155027
_cell_length_c 9.12595111
_cell_angle_alpha 78.15865084
_cell_angle_beta 78.15865084
_cell_angle_gamma 89.72956838
_space_group_n... |
RotateAroundAtomAction | c9961ee9-39b6-4e89-92b5-7e8cc5313071 | mp-570466 | Rotate all surrounding atoms within 3.775 angstrom of the center atom at index 6 by 207.684 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li8Ca4
_chemical_formula_sum "Li8 Ca4"
_cell_length_a 6.19327088
_cell_length_b 6.1932687699999995
_cell_length_c 10.18371546
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000574000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li8Ca4
_chemical_formula_sum "Li8 Ca4"
_cell_length_a 6.19327088
_cell_length_b 6.1932687699999995
_cell_length_c 10.18371546
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000574000002
_space_group_name_H-M_a... |
RotateAroundAtomAction | a4cda8dd-3494-4e03-854f-dd828d14b02e | mp-27353 | Rotate all surrounding atoms within 2.163 angstrom of the center atom at index 39 by 230.695 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sb12Cl24F36
_chemical_formula_sum "Sb12 Cl24 F36"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sb12Cl24F36
_chemical_formula_sum "Sb12 Cl24 F36"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
RotateAroundAtomAction | a1b4693a-8123-41d9-9ae6-62999d94902e | mp-1200885 | Rotate all surrounding atoms within 2.162 angstrom of the center atom at index 34 by 68.646 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Y16C28
_chemical_formula_sum "Y16 C28"
_cell_length_a 3.705523
_cell_length_b 12.60303057
_cell_length_c 13.70947855
_cell_angle_alpha 90.0
_cell_angle_beta 96.72964334
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Y16C28
_chemical_formula_sum "Y16 C28"
_cell_length_a 3.705523
_cell_length_b 12.60303057
_cell_length_c 13.70947855
_cell_angle_alpha 90.0
_cell_angle_beta 96.72964334
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
RotateAroundAtomAction | 33d15489-01c2-4a07-b6c4-bc34fced5ac4 | mp-1201604 | Rotate all surrounding atoms within 2.489 angstrom of the center atom at index 15 by 266.113 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Cd16B8O32
_chemical_formula_sum "Cd16 B8 O32"
_cell_length_a 10.00194764
_cell_length_b 10.00194764
_cell_length_c 10.00194764
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Cd16B8O32
_chemical_formula_sum "Cd16 B8 O32"
_cell_length_a 10.00194764
_cell_length_b 10.00194764
_cell_length_c 10.00194764
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
RotateAroundAtomAction | bdbf0643-2c80-4b31-a27e-68e921dc31d5 | mp-764512 | Rotate all surrounding atoms within 3.081 angstrom of the center atom at index 0 by 229.101 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li5Fe8B8O24
_chemical_formula_sum "Li5 Fe8 B8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... | data_image0
_chemical_formula_structural Li5Fe8B8O24
_chemical_formula_sum "Li5 Fe8 B8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... |
RotateAroundAtomAction | 5bf936ea-649f-4704-8f1e-f76e500e312f | mp-29057 | Rotate all surrounding atoms within 3.334 angstrom of the center atom at index 0 by 293.683 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Nb3SBr7
_chemical_formula_sum "Nb3 S1 Br7"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb3SBr7
_chemical_formula_sum "Nb3 S1 Br7"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | f6cca87a-3fa5-4b59-98a8-123722237f89 | mp-1228133 | Rotate all surrounding atoms within 3.385 angstrom of the center atom at index 12 by 112.62 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ba3Lu2MoO9
_chemical_formula_sum "Ba3 Lu2 Mo1 O9"
_cell_length_a 5.94778682
_cell_length_b 5.94778682
_cell_length_c 7.28242392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000179000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba3Lu2MoO9
_chemical_formula_sum "Ba3 Lu2 Mo1 O9"
_cell_length_a 5.94778682
_cell_length_b 5.94778682
_cell_length_c 7.28242392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000179000001
_space_group_name_H-M... |
RotateAroundAtomAction | 6282b073-f769-4890-b135-6d9533dfa068 | mp-754693 | Rotate all surrounding atoms within 2.325 angstrom of the center atom at index 9 by 93.038 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Lu2Bi6O12
_chemical_formula_sum "Lu2 Bi6 O12"
_cell_length_a 6.96675965
_cell_length_b 6.966759650000001
_cell_length_c 6.966759500000001
_cell_angle_alpha 93.17896997
_cell_angle_beta 93.17896997
_cell_angle_gamma 93.17895705000001... | data_image0
_chemical_formula_structural Lu2Bi6O12
_chemical_formula_sum "Lu2 Bi6 O12"
_cell_length_a 6.96675965
_cell_length_b 6.966759650000001
_cell_length_c 6.966759500000001
_cell_angle_alpha 93.17896997
_cell_angle_beta 93.17896997
_cell_angle_gamma 93.17895705000001... |
RotateAroundAtomAction | b174935d-f634-4547-ba19-a672e302480d | mp-2216729 | Rotate all surrounding atoms within 1.92 angstrom of the center atom at index 2 by 299.504 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ti6H4O14
_chemical_formula_sum "Ti6 H4 O14"
_cell_length_a 8.43990617
_cell_length_b 8.38281178
_cell_length_c 9.45617311
_cell_angle_alpha 79.47027434
_cell_angle_beta 100.46037404
_cell_angle_gamma 154.07255096000003
_space_group... | data_image0
_chemical_formula_structural Ti6H4O14
_chemical_formula_sum "Ti6 H4 O14"
_cell_length_a 8.43990617
_cell_length_b 8.38281178
_cell_length_c 9.45617311
_cell_angle_alpha 79.47027434
_cell_angle_beta 100.46037404
_cell_angle_gamma 154.07255096000003
_space_group... |
RotateAroundAtomAction | c315542a-7c66-4175-8af4-197252bd20e5 | mp-1195074 | Rotate all surrounding atoms within 3.703 angstrom of the center atom at index 16 by 184.527 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural U8Pb4S20
_chemical_formula_sum "U8 Pb4 S20"
_cell_length_a 7.5826125
_cell_length_b 8.32006419
_cell_length_c 11.79754383
_cell_angle_alpha 89.70337174
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural U8Pb4S20
_chemical_formula_sum "U8 Pb4 S20"
_cell_length_a 7.5826125
_cell_length_b 8.32006419
_cell_length_c 11.79754383
_cell_angle_alpha 89.70337174
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
RotateAroundAtomAction | 2df82b41-48a8-4fdd-a7d9-0cb7a46f0e30 | mp-1192677 | Rotate all surrounding atoms within 3.811 angstrom of the center atom at index 14 by 168.099 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... |
RotateAroundAtomAction | 81bed4d1-4fb4-4fe1-a7ec-9c841b0cf223 | mp-735521 | Rotate all surrounding atoms within 2.413 angstrom of the center atom at index 21 by 173.54 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mn4H24O12F12
_chemical_formula_sum "Mn4 H24 O12 F12"
_cell_length_a 8.45010996
_cell_length_b 9.23911177
_cell_length_c 6.39880545
_cell_angle_alpha 90.0
_cell_angle_beta 100.80680500999999
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Mn4H24O12F12
_chemical_formula_sum "Mn4 H24 O12 F12"
_cell_length_a 8.45010996
_cell_length_b 9.23911177
_cell_length_c 6.39880545
_cell_angle_alpha 90.0
_cell_angle_beta 100.80680500999999
_cell_angle_gamma 90.0
_space_group_name_... |
RotateAroundAtomAction | 0328a5d7-bb36-4b8d-ad06-9af0c714baaf | mp-774513 | Rotate all surrounding atoms within 2.34 angstrom of the center atom at index 46 by 104.988 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li8Ti8Co10O36
_chemical_formula_sum "Li8 Ti8 Co10 O36"
_cell_length_a 2.887169
_cell_length_b 8.984515
_cell_length_c 24.75377
_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 Li8Ti8Co10O36
_chemical_formula_sum "Li8 Ti8 Co10 O36"
_cell_length_a 2.887169
_cell_length_b 8.984515
_cell_length_c 24.75377
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
RotateAroundAtomAction | f305fcd3-18a0-4beb-a121-d84d6f25f8cd | mp-29717 | Rotate all surrounding atoms within 3.403 angstrom of the center atom at index 41 by 168.016 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ag4W24Br56
_chemical_formula_sum "Ag4 W24 Br56"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_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 Ag4W24Br56
_chemical_formula_sum "Ag4 W24 Br56"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_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 | 796d6c9e-e6bd-444c-8186-b120f0c95a1b | mp-557500 | Rotate all surrounding atoms within 2.121 angstrom of the center atom at index 8 by 65.664 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... |
RotateAroundAtomAction | 5e342164-2a12-4ef6-9894-86d1a4042451 | mp-1217947 | Rotate all surrounding atoms within 3.384 angstrom of the center atom at index 21 by 219.91 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 | 5e8a6b25-4a3c-4a07-871a-a2c2d52ac6c5 | mp-1223746 | Rotate all surrounding atoms within 3.689 angstrom of the center atom at index 11 by 186.902 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural InSb3Pb4O13
_chemical_formula_sum "In1 Sb3 Pb4 O13"
_cell_length_a 7.58615153
_cell_length_b 7.58615153
_cell_length_c 7.586150980000001
_cell_angle_alpha 60.338341190000016
_cell_angle_beta 60.338341190000016
_cell_angle_gamma 60.3... | data_image0
_chemical_formula_structural InSb3Pb4O13
_chemical_formula_sum "In1 Sb3 Pb4 O13"
_cell_length_a 7.58615153
_cell_length_b 7.58615153
_cell_length_c 7.586150980000001
_cell_angle_alpha 60.338341190000016
_cell_angle_beta 60.338341190000016
_cell_angle_gamma 60.3... |
RotateAroundAtomAction | 65994886-319f-4609-b95b-fac1db78593c | mp-568053 | Rotate all surrounding atoms within 3.178 angstrom of the center atom at index 10 by 52.357 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Tb4Ga12Pt
_chemical_formula_sum "Tb4 Ga12 Pt1"
_cell_length_a 7.42054485
_cell_length_b 7.420544879999999
_cell_length_c 7.42054551
_cell_angle_alpha 109.47121675000001
_cell_angle_beta 109.47121679
_cell_angle_gamma 109.47122431
_... | data_image0
_chemical_formula_structural Tb4Ga12Pt
_chemical_formula_sum "Tb4 Ga12 Pt1"
_cell_length_a 7.42054485
_cell_length_b 7.420544879999999
_cell_length_c 7.42054551
_cell_angle_alpha 109.47121675000001
_cell_angle_beta 109.47121679
_cell_angle_gamma 109.47122431
_... |
RotateAroundAtomAction | a27b6d17-6136-44b6-a10f-9e5d6ca64856 | mp-18973 | Rotate all surrounding atoms within 2.56 angstrom of the center atom at index 31 by 230.498 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... |
RotateAroundAtomAction | b3f852a0-1c44-4697-876e-fdbab2e2b318 | mp-1073003 | Rotate all surrounding atoms within 2.903 angstrom of the center atom at index 16 by 74.866 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.32799526
_cell_length_b 5.32799526
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_angle_gamma 45.32534773
_space_gro... | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.32799526
_cell_length_b 5.32799526
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_angle_gamma 45.32534773
_space_gro... |
RotateAroundAtomAction | 456af2f4-feae-452b-8d54-3f7c5064eba9 | mp-753007 | Rotate all surrounding atoms within 2.463 angstrom of the center atom at index 16 by 226.047 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 5.630544
_cell_length_b 5.73634397
_cell_length_c 7.30659204
_cell_angle_alpha 74.02277974
_cell_angle_beta 74.24927185
_cell_angle_gamma 72.42715562
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Mn6O5F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 5.630544
_cell_length_b 5.73634397
_cell_length_c 7.30659204
_cell_angle_alpha 74.02277974
_cell_angle_beta 74.24927185
_cell_angle_gamma 72.42715562
_space_group_name_H-M_al... |
RotateAroundAtomAction | b769c969-1508-48b1-9cbe-ff857138a797 | mp-1386638 | Rotate all surrounding atoms within 1.82 angstrom of the center atom at index 15 by 226.436 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... |
RotateAroundAtomAction | 4c8a5d5a-ba7e-4d7f-9a44-3ce4e45f7e38 | mp-1196375 | Rotate all surrounding atoms within 3.782 angstrom of the center atom at index 20 by 174.649 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Gd2Cd40Ni4
_chemical_formula_sum "Gd2 Cd40 Ni4"
_cell_length_a 11.16102435
_cell_length_b 11.16102435
_cell_length_c 11.16102435
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Gd2Cd40Ni4
_chemical_formula_sum "Gd2 Cd40 Ni4"
_cell_length_a 11.16102435
_cell_length_b 11.16102435
_cell_length_c 11.16102435
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
RotateAroundAtomAction | 099b946e-6a2c-4e09-8691-7a6a767802f3 | mp-1208324 | Rotate all surrounding atoms within 2.907 angstrom of the center atom at index 1 by 107.85 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ti8Al12
_chemical_formula_sum "Ti8 Al12"
_cell_length_a 6.118791
_cell_length_b 6.118791
_cell_length_c 10.29645148
_cell_angle_alpha 107.28537181
_cell_angle_beta 107.28537181
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ti8Al12
_chemical_formula_sum "Ti8 Al12"
_cell_length_a 6.118791
_cell_length_b 6.118791
_cell_length_c 10.29645148
_cell_angle_alpha 107.28537181
_cell_angle_beta 107.28537181
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
RotateAroundAtomAction | 63d5b7a5-4c62-4077-b017-8d5ca86407a0 | mp-1210838 | Rotate all surrounding atoms within 3.559 angstrom of the center atom at index 10 by 176.378 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg2P2H12N2O10
_chemical_formula_sum "Mg2 P2 H12 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_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 Mg2P2H12N2O10
_chemical_formula_sum "Mg2 P2 H12 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
RotateAroundAtomAction | db6e72f4-40c6-4805-99fb-314d55b34732 | mp-1200095 | Rotate all surrounding atoms within 3.599 angstrom of the center atom at index 21 by 311.518 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sr4Np4P8O32
_chemical_formula_sum "Sr4 Np4 P8 O32"
_cell_length_a 6.97722498
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr4Np4P8O32
_chemical_formula_sum "Sr4 Np4 P8 O32"
_cell_length_a 6.97722498
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 2dbdca01-44eb-4483-b18f-e622872819b9 | mp-1201951 | Rotate all surrounding atoms within 3.427 angstrom of the center atom at index 20 by 188.674 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ce4As4O20F4
_chemical_formula_sum "Ce4 As4 O20 F4"
_cell_length_a 7.339404
_cell_length_b 5.309782
_cell_length_c 12.86736704
_cell_angle_alpha 70.94896114
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ce4As4O20F4
_chemical_formula_sum "Ce4 As4 O20 F4"
_cell_length_a 7.339404
_cell_length_b 5.309782
_cell_length_c 12.86736704
_cell_angle_alpha 70.94896114
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
RotateAroundAtomAction | 8414c7a6-0c4f-443b-8cd3-426fc4c19d33 | mp-1104551 | Rotate all surrounding atoms within 3.532 angstrom of the center atom at index 1 by 149.703 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural DyZn12
_chemical_formula_sum "Dy1 Zn12"
_cell_length_a 6.70345637
_cell_length_b 6.7034563700000005
_cell_length_c 6.70345637
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.27002648
_space_group_na... | data_image0
_chemical_formula_structural DyZn12
_chemical_formula_sum "Dy1 Zn12"
_cell_length_a 6.70345637
_cell_length_b 6.7034563700000005
_cell_length_c 6.70345637
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.27002648
_space_group_na... |
RotateAroundAtomAction | 118720c3-87fd-4b98-9e1b-185e3b731bd5 | mp-29185 | Rotate all surrounding atoms within 3.925 angstrom of the center atom at index 2 by 256.137 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... |
RotateAroundAtomAction | f7db4439-6dd0-4e16-a6be-63badfe7a5a4 | mp-768657 | Rotate all surrounding atoms within 3.032 angstrom of the center atom at index 3 by 155.459 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li4CrFe3O8
_chemical_formula_sum "Li4 Cr1 Fe3 O8"
_cell_length_a 5.17216
_cell_length_b 5.18489142
_cell_length_c 5.96628079
_cell_angle_alpha 106.75661343999998
_cell_angle_beta 89.98288698000002
_cell_angle_gamma 99.51075713
_spa... | data_image0
_chemical_formula_structural Li4CrFe3O8
_chemical_formula_sum "Li4 Cr1 Fe3 O8"
_cell_length_a 5.17216
_cell_length_b 5.18489142
_cell_length_c 5.96628079
_cell_angle_alpha 106.75661343999998
_cell_angle_beta 89.98288698000002
_cell_angle_gamma 99.51075713
_spa... |
RotateAroundAtomAction | e916db07-16c1-4889-ac43-131547ab025c | mp-780652 | Rotate all surrounding atoms within 1.976 angstrom of the center atom at index 62 by 265.021 degree around the axis [0. 1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... |
RotateAroundAtomAction | 08aca46a-170d-443a-8b0b-8ba0a1708323 | mp-1199497 | Rotate all surrounding atoms within 3.314 angstrom of the center atom at index 11 by 69.872 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Cs4Mo12I28
_chemical_formula_sum "Cs4 Mo12 I28"
_cell_length_a 11.06858183
_cell_length_b 11.06858183
_cell_length_c 16.974737
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4Mo12I28
_chemical_formula_sum "Cs4 Mo12 I28"
_cell_length_a 11.06858183
_cell_length_b 11.06858183
_cell_length_c 16.974737
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 080f1a0d-ca44-498a-8d2f-0961ac3c73ea | mp-2395 | Rotate all surrounding atoms within 3.863 angstrom of the center atom at index 8 by 104.631 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Sb12Rh4
_chemical_formula_sum "Sb12 Rh4"
_cell_length_a 8.06295688
_cell_length_b 8.06295689
_cell_length_c 8.06295614
_cell_angle_alpha 109.47121362999998
_cell_angle_beta 109.47121362
_cell_angle_gamma 109.47122396000002
_space_g... | data_image0
_chemical_formula_structural Sb12Rh4
_chemical_formula_sum "Sb12 Rh4"
_cell_length_a 8.06295688
_cell_length_b 8.06295689
_cell_length_c 8.06295614
_cell_angle_alpha 109.47121362999998
_cell_angle_beta 109.47121362
_cell_angle_gamma 109.47122396000002
_space_g... |
RotateAroundAtomAction | 6aaa2f9e-b172-41dd-8600-395fc3807dcb | mp-1223049 | Rotate all surrounding atoms within 3.218 angstrom of the center atom at index 2 by 142.596 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural La4Br3ClO4
_chemical_formula_sum "La4 Br3 Cl1 O4"
_cell_length_a 8.52979552
_cell_length_b 8.52979552
_cell_length_c 4.158477
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.62807147000001
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural La4Br3ClO4
_chemical_formula_sum "La4 Br3 Cl1 O4"
_cell_length_a 8.52979552
_cell_length_b 8.52979552
_cell_length_c 4.158477
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.62807147000001
_space_group_name_H-M_a... |
RotateAroundAtomAction | 271a6f82-7050-4120-9957-78eeea493c3b | mp-1075490 | Rotate all surrounding atoms within 2.698 angstrom of the center atom at index 10 by 150.797 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Mg10Si12
_chemical_formula_sum "Mg10 Si12"
_cell_length_a 3.76229
_cell_length_b 7.462234
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Mg10Si12
_chemical_formula_sum "Mg10 Si12"
_cell_length_a 3.76229
_cell_length_b 7.462234
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
RotateAroundAtomAction | cd57a3c0-5475-4224-80d7-3ef1d5f3a5c6 | mp-771953 | Rotate all surrounding atoms within 3.441 angstrom of the center atom at index 20 by 189.399 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | f3851fcf-4e71-4c84-a82a-db25402515d6 | mp-1199329 | Rotate all surrounding atoms within 2.926 angstrom of the center atom at index 41 by 299.697 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Gd4P4H4C8O24
_chemical_formula_sum "Gd4 P4 H4 C8 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_group_... | data_image0
_chemical_formula_structural Gd4P4H4C8O24
_chemical_formula_sum "Gd4 P4 H4 C8 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_group_... |
RotateAroundAtomAction | a9815bb2-d74f-4fde-a856-7e179bc958ae | mp-1207972 | Rotate all surrounding atoms within 3.881 angstrom of the center atom at index 6 by 282.402 degree around the axis [ 0. 0. -1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural U4Ti6Ge8
_chemical_formula_sum "U4 Ti6 Ge8"
_cell_length_a 7.127392
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural U4Ti6Ge8
_chemical_formula_sum "U4 Ti6 Ge8"
_cell_length_a 7.127392
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
RotateAroundAtomAction | 50daf507-aa2a-4c8a-986c-336e80fc25e0 | mp-1226904 | Rotate all surrounding atoms within 2.07 angstrom of the center atom at index 12 by 229.716 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ca2Al8Si4O22
_chemical_formula_sum "Ca2 Al8 Si4 O22"
_cell_length_a 5.4776243
_cell_length_b 5.4776243
_cell_length_c 12.837760639999999
_cell_angle_alpha 89.8173835
_cell_angle_beta 89.8173835
_cell_angle_gamma 119.97541108
_space... | data_image0
_chemical_formula_structural Ca2Al8Si4O22
_chemical_formula_sum "Ca2 Al8 Si4 O22"
_cell_length_a 5.4776243
_cell_length_b 5.4776243
_cell_length_c 12.837760639999999
_cell_angle_alpha 89.8173835
_cell_angle_beta 89.8173835
_cell_angle_gamma 119.97541108
_space... |
RotateAroundAtomAction | ebcb1f0d-1eb3-4d9b-a264-bdb624863b12 | mp-759390 | Rotate all surrounding atoms within 3.808 angstrom of the center atom at index 13 by 257.467 degree around the axis [ 0. -1. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.449902
_cell_length_b 8.813636
_cell_length_c 12.85301105
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.449902
_cell_length_b 8.813636
_cell_length_c 12.85301105
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
RotateAroundAtomAction | 8071186e-e93a-4263-bde3-63a968a88f8a | mp-2230007 | Rotate all surrounding atoms within 3.168 angstrom of the center atom at index 10 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 Cs4MgTi2Ag4S8
_chemical_formula_sum "Cs4 Mg1 Ti2 Ag4 S8"
_cell_length_a 6.33906844
_cell_length_b 6.339068440000001
_cell_length_c 13.70134139
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 84.22111217
_space_group_... | data_image0
_chemical_formula_structural Cs4MgTi2Ag4S8
_chemical_formula_sum "Cs4 Mg1 Ti2 Ag4 S8"
_cell_length_a 6.33906844
_cell_length_b 6.339068440000001
_cell_length_c 13.70134139
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 84.22111217
_space_group_... |
RotateAroundAtomAction | 7e1c2f06-a3b4-4064-9589-6b4fe7237c8a | mp-1228248 | Rotate all surrounding atoms within 3.485 angstrom of the center atom at index 4 by 45.158 degree around the axis [1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Ba4NdYCu8O16
_chemical_formula_sum "Ba4 Nd1 Y1 Cu8 O16"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_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 Ba4NdYCu8O16
_chemical_formula_sum "Ba4 Nd1 Y1 Cu8 O16"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
RotateAroundAtomAction | 67aa15ae-ae16-428a-9595-b6e8ccb38f25 | mp-676599 | Rotate all surrounding atoms within 3.226 angstrom of the center atom at index 7 by 218.453 degree around the axis [-1. 0. 0.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Cu8NO11
_chemical_formula_sum "Cu8 N1 O11"
_cell_length_a 6.94565887
_cell_length_b 6.817023109999999
_cell_length_c 6.544039990000001
_cell_angle_alpha 62.60415246
_cell_angle_beta 60.6223808
_cell_angle_gamma 56.77346674999999
_s... | data_image0
_chemical_formula_structural Cu8NO11
_chemical_formula_sum "Cu8 N1 O11"
_cell_length_a 6.94565887
_cell_length_b 6.817023109999999
_cell_length_c 6.544039990000001
_cell_angle_alpha 62.60415246
_cell_angle_beta 60.6223808
_cell_angle_gamma 56.77346674999999
_s... |
RotateAroundAtomAction | 362b90c7-e38c-417f-8859-3d37e76d626b | mp-1202750 | Rotate all surrounding atoms within 3.934 angstrom of the center atom at index 31 by 228.15 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... |
RotateAroundAtomAction | 5a47307f-527c-453d-966b-e2554732cbf3 | mp-1048365 | Rotate all surrounding atoms within 1.766 angstrom of the center atom at index 2 by 88.77 degree around the axis [0. 0. 1.] in the cif file. The rotation should following the right-hand rule. | data_image0
_chemical_formula_structural Y2Cu3O6
_chemical_formula_sum "Y2 Cu3 O6"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_space_gr... | data_image0
_chemical_formula_structural Y2Cu3O6
_chemical_formula_sum "Y2 Cu3 O6"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_space_gr... |
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