action_type stringclasses 13
values | problem_id stringlengths 36 36 | mp_id stringlengths 6 10 | action_prompt stringlengths 39 448 | input stringlengths 1.11k 8.33k | output stringlengths 595 61.6k |
|---|---|---|---|---|---|
MoveSelectedAtomsAction | 215df476-8124-4a13-8c82-63600fb17ae2 | mp-754649 | Move atoms at indices [12, 9, 16, 19, 3] by [ 1.932 -2.344 -0.463] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2C2S2O14
_chemical_formula_sum "Mn2 C2 S2 O14"
_cell_length_a 6.220934
_cell_length_b 5.141389
_cell_length_c 8.71139767
_cell_angle_alpha 86.514774
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Mn2C2S2O14
_chemical_formula_sum "Mn2 C2 S2 O14"
_cell_length_a 6.220934
_cell_length_b 5.141389
_cell_length_c 8.71139767
_cell_angle_alpha 86.514774
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 91d6c604-cc65-4752-b53d-c1464bce8754 | mp-17691 | Move atoms at indices [24, 9, 25, 7, 10, 0, 12, 16, 21, 19, 20, 1, 5, 14, 22, 6, 15, 2, 4, 8, 27, 26, 11, 3, 23, 17, 13, 18] by [0.765 1.28 2.332] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu12Sb4S12
_chemical_formula_sum "Cu12 Sb4 S12"
_cell_length_a 6.541463
_cell_length_b 8.099059
_cell_length_c 10.268644
_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 Cu12Sb4S12
_chemical_formula_sum "Cu12 Sb4 S12"
_cell_length_a 6.541463
_cell_length_b 8.099059
_cell_length_c 10.268644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveSelectedAtomsAction | 94191cbc-5d66-440d-8b63-3f7d93d7b625 | mp-1023480 | Move atoms at indices [1, 3, 6, 2, 5, 10, 14, 0, 9, 8, 7, 15, 11] by [-0.95 2.475 4.259] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12Al2Ni2
_chemical_formula_sum "Mg12 Al2 Ni2"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 10.46779
_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 Mg12Al2Ni2
_chemical_formula_sum "Mg12 Al2 Ni2"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 10.46779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveSelectedAtomsAction | c66ad6fc-8ff9-4c08-a79f-1993d9e8b1ad | mp-1205559 | Move atoms at indices [7, 8, 4, 9, 6, 3] by [ 1.347 -0.837 0.258] angstrom in the cif file. | data_image0
_chemical_formula_structural Yb2In2Br6
_chemical_formula_sum "Yb2 In2 Br6"
_cell_length_a 8.60833185
_cell_length_b 8.60833185
_cell_length_c 10.73531721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.74950681
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Yb2In2Br6
_chemical_formula_sum "Yb2 In2 Br6"
_cell_length_a 8.60833185
_cell_length_b 8.60833185
_cell_length_c 10.73531721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.74950681
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | e9b94112-160c-4bf6-80c0-2a5975dd27f1 | mp-1227411 | Move atoms at indices [1, 18, 8, 19, 4, 7, 13, 9, 5] by [-0.326 1.162 -0.717] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... |
MoveSelectedAtomsAction | ff559b15-e60d-4938-9bd2-b0ee36c276a3 | mp-1233510 | Move atoms at indices [11, 39, 6, 25, 9, 35, 0, 38, 30, 15, 21, 7, 34, 1, 18, 26, 14, 20, 37, 33, 10, 40] by [ 3.116 -1.566 -0.325] angstrom in the cif file. | data_image0
_chemical_formula_structural MgAg20Bi4O16
_chemical_formula_sum "Mg1 Ag20 Bi4 O16"
_cell_length_a 5.97614794
_cell_length_b 9.14592543
_cell_length_c 13.74615363
_cell_angle_alpha 93.61089738999999
_cell_angle_beta 94.2991175
_cell_angle_gamma 89.04968398
_spa... | data_image0
_chemical_formula_structural MgAg20Bi4O16
_chemical_formula_sum "Mg1 Ag20 Bi4 O16"
_cell_length_a 5.97614794
_cell_length_b 9.14592543
_cell_length_c 13.74615363
_cell_angle_alpha 93.61089738999999
_cell_angle_beta 94.2991175
_cell_angle_gamma 89.04968398
_spa... |
MoveSelectedAtomsAction | b201037d-1ab6-471d-9a87-3b707ce904d7 | mp-1190647 | Move atoms at indices [2, 6, 20] by [-3.312 0.691 3.068] angstrom in the cif file. | data_image0
_chemical_formula_structural Ge6F16
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ge6F16
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveSelectedAtomsAction | ee4ae050-6ac2-44b6-895a-a950b6493515 | mp-777888 | Move atoms at indices [15, 19, 9, 12, 18, 8] by [ 1.292 -1.892 -0.045] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe4F12
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 6.105144
_cell_length_b 6.11173082
_cell_length_c 6.12676191
_cell_angle_alpha 90.09645642
_cell_angle_beta 90.04854480000002
_cell_angle_gamma 90.17288889
_space_group_n... | data_image0
_chemical_formula_structural Li4Fe4F12
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 6.105144
_cell_length_b 6.11173082
_cell_length_c 6.12676191
_cell_angle_alpha 90.09645642
_cell_angle_beta 90.04854480000002
_cell_angle_gamma 90.17288889
_space_group_n... |
MoveSelectedAtomsAction | 77558402-1066-4cf9-a104-d32533c54415 | mp-12241 | Move atoms at indices [33, 18, 25, 11, 31, 32, 30, 21, 35, 39, 41, 20, 1, 0, 14, 5, 9, 2, 28, 40, 12, 13, 22, 24, 7, 3, 17, 15, 16, 27, 23, 4, 36, 38, 8, 6, 19, 37, 26, 10] by [0.872 2.42 2.341] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca22Sb20
_chemical_formula_sum "Ca22 Sb20"
_cell_length_a 12.0175782
_cell_length_b 12.017578059999998
_cell_length_c 12.10675775
_cell_angle_alpha 119.75662422
_cell_angle_beta 119.75662842000001
_cell_angle_gamma 90.00000316000002... | data_image0
_chemical_formula_structural Ca22Sb20
_chemical_formula_sum "Ca22 Sb20"
_cell_length_a 12.0175782
_cell_length_b 12.017578059999998
_cell_length_c 12.10675775
_cell_angle_alpha 119.75662422
_cell_angle_beta 119.75662842000001
_cell_angle_gamma 90.00000316000002... |
MoveSelectedAtomsAction | 1286c5be-9120-4f40-bb1a-e85b9060a133 | mp-1247135 | Move atoms at indices [0, 18, 7, 29, 3, 4, 28, 11, 2, 16] by [-1.364 -1.709 -1.382] angstrom in the cif file. | data_image0
_chemical_formula_structural Si14Ge2N20
_chemical_formula_sum "Si14 Ge2 N20"
_cell_length_a 6.9613158
_cell_length_b 6.750121
_cell_length_c 9.777887800000002
_cell_angle_alpha 90.0
_cell_angle_beta 106.51030843999999
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Si14Ge2N20
_chemical_formula_sum "Si14 Ge2 N20"
_cell_length_a 6.9613158
_cell_length_b 6.750121
_cell_length_c 9.777887800000002
_cell_angle_alpha 90.0
_cell_angle_beta 106.51030843999999
_cell_angle_gamma 90.0
_space_group_name_H... |
MoveSelectedAtomsAction | ca41dde9-eb9a-477a-8ee7-e48e2266d390 | mp-1179664 | Move atoms at indices [26, 25, 3, 32, 30, 0, 31, 6, 40, 21, 7, 35, 15, 2, 11, 33, 27, 37, 10, 17, 36, 1, 9, 38] by [-0.647 -1.571 3.1 ] angstrom in the cif file. | data_image0
_chemical_formula_structural V8Hg8O28
_chemical_formula_sum "V8 Hg8 O28"
_cell_length_a 3.457299
_cell_length_b 19.266052
_cell_length_c 12.002204
_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 V8Hg8O28
_chemical_formula_sum "V8 Hg8 O28"
_cell_length_a 3.457299
_cell_length_b 19.266052
_cell_length_c 12.002204
_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... |
MoveSelectedAtomsAction | 0c20ebed-1f95-49f8-b404-03831058e3f0 | mp-1095216 | Move atoms at indices [5, 0, 11, 7] by [-0.253 -0.647 -3.379] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... |
MoveSelectedAtomsAction | d88d4f98-4207-49fd-8fe1-671504acac59 | mp-1225453 | Move atoms at indices [48, 24, 54, 55, 53, 46, 38, 6, 28, 16, 60, 18, 1, 34, 40, 36, 26, 30, 51, 3, 11, 50, 17, 41] by [ 1.948 -0.847 -2.652] angstrom in the cif file. | data_image0
_chemical_formula_structural Er14Ag51
_chemical_formula_sum "Er14 Ag51"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 9.34994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Er14Ag51
_chemical_formula_sum "Er14 Ag51"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 9.34994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | d067116b-8554-4551-beff-4643cfba73ca | mp-1217519 | Move atoms at indices [22, 11, 21, 17, 3, 2, 16, 9] by [-0.121 -2.991 3.34 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Th2V4Pb2O16
_chemical_formula_sum "Th2 V4 Pb2 O16"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... | data_image0
_chemical_formula_structural Th2V4Pb2O16
_chemical_formula_sum "Th2 V4 Pb2 O16"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... |
MoveSelectedAtomsAction | 0ee0f200-9907-4334-b282-f548c365c8f0 | mp-1039565 | Move atoms at indices [3, 5, 10, 4] by [ 3.425 -1.466 -2.351] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce2Mg10
_chemical_formula_sum "Ce2 Mg10"
_cell_length_a 5.24575518
_cell_length_b 3.09210841
_cell_length_c 17.95839835
_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 Ce2Mg10
_chemical_formula_sum "Ce2 Mg10"
_cell_length_a 5.24575518
_cell_length_b 3.09210841
_cell_length_c 17.95839835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
MoveSelectedAtomsAction | 326f11d9-ceb7-410b-9649-d1ea534a0109 | mp-627601 | Move atoms at indices [2, 0, 7, 4, 15, 5] by [0.589 0.434 0.198] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag4Sb4S8
_chemical_formula_sum "Ag4 Sb4 S8"
_cell_length_a 7.44579064
_cell_length_b 7.44579064
_cell_length_c 13.57904443
_cell_angle_alpha 84.22146683
_cell_angle_beta 84.22146683
_cell_angle_gamma 45.79840505
_space_group_name_H... | data_image0
_chemical_formula_structural Ag4Sb4S8
_chemical_formula_sum "Ag4 Sb4 S8"
_cell_length_a 7.44579064
_cell_length_b 7.44579064
_cell_length_c 13.57904443
_cell_angle_alpha 84.22146683
_cell_angle_beta 84.22146683
_cell_angle_gamma 45.79840505
_space_group_name_H... |
MoveSelectedAtomsAction | b32f3082-1265-4452-9bef-93ecab040bf0 | mp-559593 | Move atoms at indices [6, 10, 30, 27, 26, 24, 22, 29, 8, 28, 7, 17, 21, 3, 18, 4, 25, 16, 1, 12, 32, 0] by [-0.394 0.552 -0.398] angstrom in the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... |
MoveSelectedAtomsAction | 64396690-ac4a-4150-86f7-be7d12dba6b6 | mp-1576333 | Move atoms at indices [4, 18, 0, 3, 12, 7, 15, 17, 8, 19, 13, 5, 21, 11] by [-3.786 0.601 -0.171] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2Al2W4O16
_chemical_formula_sum "Mn2 Al2 W4 O16"
_cell_length_a 5.12278566
_cell_length_b 5.674278
_cell_length_c 9.27022947
_cell_angle_alpha 90.00001642999999
_cell_angle_beta 91.56680175999999
_cell_angle_gamma 90.0000422000000... | data_image0
_chemical_formula_structural Mn2Al2W4O16
_chemical_formula_sum "Mn2 Al2 W4 O16"
_cell_length_a 5.12278566
_cell_length_b 5.674278
_cell_length_c 9.27022947
_cell_angle_alpha 90.00001642999999
_cell_angle_beta 91.56680175999999
_cell_angle_gamma 90.0000422000000... |
MoveSelectedAtomsAction | fada4da4-e0b2-4263-8dec-3399735a9af1 | mp-1190028 | Move atoms at indices [4, 16, 8, 1, 0, 17, 13, 6, 2, 14] by [ 1.381 -0.323 0.941] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm3Al9Ni6
_chemical_formula_sum "Tm3 Al9 Ni6"
_cell_length_a 8.89713641
_cell_length_b 8.89713641
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Tm3Al9Ni6
_chemical_formula_sum "Tm3 Al9 Ni6"
_cell_length_a 8.89713641
_cell_length_b 8.89713641
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... |
MoveSelectedAtomsAction | 189be355-bc70-475c-a249-7defc00f6036 | mp-1198979 | Move atoms at indices [23, 24, 13, 30, 21, 2, 37, 17, 19, 38, 7, 32, 15, 33, 16, 26, 5, 31, 28, 1, 10, 20, 0, 14, 34, 35] by [-1.071 0.282 0.027] angstrom in the cif file. | data_image0
_chemical_formula_structural K6Na14MgTl18
_chemical_formula_sum "K6 Na14 Mg1 Tl18"
_cell_length_a 10.60143563
_cell_length_b 10.60143563
_cell_length_c 10.60143563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K6Na14MgTl18
_chemical_formula_sum "K6 Na14 Mg1 Tl18"
_cell_length_a 10.60143563
_cell_length_b 10.60143563
_cell_length_c 10.60143563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | d2d5bae8-406c-4849-92a7-04078a437877 | mp-1272968 | Move atoms at indices [8, 10, 3, 2, 0, 13, 5, 12, 6, 1, 9, 11, 4] by [ 3.202 0.382 -0.506] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2V4O8
_chemical_formula_sum "Na2 V4 O8"
_cell_length_a 5.19210069
_cell_length_b 5.94416701
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43049897
_cell_angle_gamma 89.99560242
_space_group_... | data_image0
_chemical_formula_structural Na2V4O8
_chemical_formula_sum "Na2 V4 O8"
_cell_length_a 5.19210069
_cell_length_b 5.94416701
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43049897
_cell_angle_gamma 89.99560242
_space_group_... |
MoveSelectedAtomsAction | bfc214a4-e34b-4252-85e7-17f2a9a8cfb6 | mp-1191019 | Move atoms at indices [14, 16, 7, 5, 1, 11, 3, 10, 18, 20, 0, 13, 9, 6, 4, 19, 12, 17, 15, 8, 2] by [-0.868 0.165 -1.862] angstrom in the cif file. | data_image0
_chemical_formula_structural Er2Mn12P7
_chemical_formula_sum "Er2 Mn12 P7"
_cell_length_a 9.28351044
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Er2Mn12P7
_chemical_formula_sum "Er2 Mn12 P7"
_cell_length_a 9.28351044
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | de1829ed-8c89-493c-8399-71d7a083fb70 | mp-1216954 | Move atoms at indices [15, 10, 16, 0, 9, 4, 14, 3, 2] by [-3.342 1.291 1.867] angstrom in the cif file. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... |
MoveSelectedAtomsAction | f48fe6f5-b1b4-4acf-a224-944929852d88 | mp-1359492 | Move atoms at indices [15, 17, 10, 16, 32, 24, 12, 26, 11, 6, 5, 22, 13, 18, 1, 34, 2, 31, 3, 19] by [-0.411 -2.722 1.775] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Zn2Cu2Bi4F28
_chemical_formula_sum "Ba4 Zn2 Cu2 Bi4 F28"
_cell_length_a 7.76955665
_cell_length_b 7.76955665
_cell_length_c 16.18337066
_cell_angle_alpha 89.94437581999999
_cell_angle_beta 89.94437581999999
_cell_angle_gamma 40.4... | data_image0
_chemical_formula_structural Ba4Zn2Cu2Bi4F28
_chemical_formula_sum "Ba4 Zn2 Cu2 Bi4 F28"
_cell_length_a 7.76955665
_cell_length_b 7.76955665
_cell_length_c 16.18337066
_cell_angle_alpha 89.94437581999999
_cell_angle_beta 89.94437581999999
_cell_angle_gamma 40.4... |
MoveSelectedAtomsAction | 33cc7949-9fe4-4071-bc6c-bb983de4bfc3 | mp-1209592 | Move atoms at indices [30, 0, 21, 24, 23, 15, 17] by [1.39 1.437 2.535] angstrom in the cif file. | data_image0
_chemical_formula_structural P8O24
_chemical_formula_sum "P8 O24"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural P8O24
_chemical_formula_sum "P8 O24"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_space_... |
MoveSelectedAtomsAction | dba9f900-bee6-4af3-80cd-0b5fa6f8f238 | mp-1303460 | Move atoms at indices [33, 13, 6] by [ 2.973 -0.156 1.444] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co4C8O24
_chemical_formula_sum "Li4 Co4 C8 O24"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 9.35274032
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999998
_cell_angle_gamma 103.20683676... | data_image0
_chemical_formula_structural Li4Co4C8O24
_chemical_formula_sum "Li4 Co4 C8 O24"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 9.35274032
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999998
_cell_angle_gamma 103.20683676... |
MoveSelectedAtomsAction | 0a1c1695-e78e-4cbb-9f4d-4e8d64a7b330 | mp-26941 | Move atoms at indices [13, 5, 11, 4, 22, 7, 1, 26, 23, 14, 19, 0, 12, 20] by [0.692 0.842 1.816] angstrom in the cif file. | 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... |
MoveSelectedAtomsAction | 0b903adc-c679-42e1-ae54-892738e1cac6 | mp-1200198 | Move atoms at indices [79, 87, 19, 29, 72, 5, 16, 81, 18, 2, 37, 88, 45, 25, 26, 63, 42, 71, 3, 90, 41, 74, 67, 53, 8, 33, 64, 78, 66, 36, 56, 46, 60, 54, 28, 76, 93, 44, 83, 32, 57, 55, 70, 13, 35, 24, 43, 65, 61, 62, 51, 38, 34, 39, 40, 11, 50, 92, 47, 4, 22, 31, 95, 7, 14, 1, 86, 27, 75, 80, 91, 69, 9, 12, 58, 21, 7... | data_image0
_chemical_formula_structural Cd8Cu8P8S4O68
_chemical_formula_sum "Cd8 Cu8 P8 S4 O68"
_cell_length_a 10.571198
_cell_length_b 20.939412
_cell_length_c 6.042704
_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 Cd8Cu8P8S4O68
_chemical_formula_sum "Cd8 Cu8 P8 S4 O68"
_cell_length_a 10.571198
_cell_length_b 20.939412
_cell_length_c 6.042704
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 11e8fdd1-3f1f-4d4a-ba01-d35b8eddad69 | mp-1193000 | Move atoms at indices [0, 14, 11, 15, 16, 9, 19, 22, 17, 2, 7, 12, 8, 1, 20, 5, 18, 21, 6, 13, 3] by [-1.772 -1.296 0.02 ] angstrom in the cif file. | data_image0
_chemical_formula_structural NiC4S4N2O12
_chemical_formula_sum "Ni1 C4 S4 N2 O12"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.76870820999999
... | data_image0
_chemical_formula_structural NiC4S4N2O12
_chemical_formula_sum "Ni1 C4 S4 N2 O12"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.76870820999999
... |
MoveSelectedAtomsAction | 647a5305-a47f-45bf-a81e-1007dba1938b | mp-1212287 | Move atoms at indices [11, 17, 19, 16, 1, 8, 20, 14, 15, 7, 18, 6, 5] by [ 0.786 -0.799 -1.548] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho6B14Mo2
_chemical_formula_sum "Ho6 B14 Mo2"
_cell_length_a 8.14948756
_cell_length_b 8.14948756
_cell_length_c 9.454235
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.46716801999997
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho6B14Mo2
_chemical_formula_sum "Ho6 B14 Mo2"
_cell_length_a 8.14948756
_cell_length_b 8.14948756
_cell_length_c 9.454235
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.46716801999997
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 9433a0c4-e75e-491f-9ca0-299166f1b794 | mp-764994 | Move atoms at indices [25, 55, 39, 68, 44, 24, 13, 76, 66, 10, 17, 7, 53, 26, 42, 60, 40] by [ 1.368 -2.564 4.838] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6V6P16O58
_chemical_formula_sum "Li6 V6 P16 O58"
_cell_length_a 9.732393
_cell_length_b 9.765990269999998
_cell_length_c 14.37332939
_cell_angle_alpha 90.70755737
_cell_angle_beta 89.68670657
_cell_angle_gamma 119.85956181
_space... | data_image0
_chemical_formula_structural Li6V6P16O58
_chemical_formula_sum "Li6 V6 P16 O58"
_cell_length_a 9.732393
_cell_length_b 9.765990269999998
_cell_length_c 14.37332939
_cell_angle_alpha 90.70755737
_cell_angle_beta 89.68670657
_cell_angle_gamma 119.85956181
_space... |
MoveSelectedAtomsAction | b1bab517-32cd-426f-a5df-37445a6936b1 | mp-1227202 | Move atoms at indices [18, 29, 15, 2, 34, 14, 19, 3, 5, 24, 32, 26, 33, 23, 20, 8, 36, 13] by [-0.523 -0.605 -4.308] angstrom in the cif file. | data_image0
_chemical_formula_structural CaAl4Si8O24
_chemical_formula_sum "Ca1 Al4 Si8 O24"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.8090608
_... | data_image0
_chemical_formula_structural CaAl4Si8O24
_chemical_formula_sum "Ca1 Al4 Si8 O24"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.8090608
_... |
MoveSelectedAtomsAction | 791198b2-f30e-4342-8bac-7bd1eb489c22 | mp-1100889 | Move atoms at indices [3, 23, 14, 2] by [-1.775 -4.566 -0.342] angstrom in the cif file. | data_image0
_chemical_formula_structural Y6B6O14
_chemical_formula_sum "Y6 B6 O14"
_cell_length_a 4.02373971
_cell_length_b 4.02373915
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Y6B6O14
_chemical_formula_sum "Y6 B6 O14"
_cell_length_a 4.02373971
_cell_length_b 4.02373915
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | b18143a2-ea02-4749-ace0-4c722704bffe | mp-680133 | Move atoms at indices [25, 17, 9, 6, 34, 21, 24, 5, 27, 28, 13, 10, 48, 26, 22, 16, 23, 49, 45, 47, 20, 4, 2, 19, 33, 7, 43, 14, 50, 35, 12, 40, 18, 15, 39, 31, 41, 32, 37, 8, 42, 1] by [-2.705 0.989 -3.387] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd17I34
_chemical_formula_sum "Cd17 I34"
_cell_length_a 4.33968349
_cell_length_b 4.33968349
_cell_length_c 125.10129
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999222999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd17I34
_chemical_formula_sum "Cd17 I34"
_cell_length_a 4.33968349
_cell_length_b 4.33968349
_cell_length_c 125.10129
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999222999999
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 7ef0b855-4e63-4253-bfbf-3bebbf076338 | mp-769928 | Move atoms at indices [9, 10, 6, 5, 13, 14, 11, 12, 4, 1] by [ 2.227 -3.079 0.005] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... |
MoveSelectedAtomsAction | 30e208fc-6424-4342-b200-6be387593ce9 | mp-1520816 | Move atoms at indices [2, 16, 32, 20, 21, 15, 14, 4, 9, 36, 30, 35, 6, 8, 22, 0, 28, 37, 26, 27, 38, 13, 29, 17, 1, 23, 3, 19] by [-4.328 1.101 -0.823] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Eu4Zr8O24
_chemical_formula_sum "Ba4 Eu4 Zr8 O24"
_cell_length_a 8.44182873
_cell_length_b 8.44182873
_cell_length_c 8.44429465
_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 Ba4Eu4Zr8O24
_chemical_formula_sum "Ba4 Eu4 Zr8 O24"
_cell_length_a 8.44182873
_cell_length_b 8.44182873
_cell_length_c 8.44429465
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 17bc9424-1e5f-4155-93ca-abac22d30fc9 | mp-760314 | Move atoms at indices [21, 15, 5, 23, 9, 27, 19, 14, 17, 16, 18] by [1.332 1.541 0.587] angstrom in the cif file. | data_image0
_chemical_formula_structural V6O5F19
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_gro... | data_image0
_chemical_formula_structural V6O5F19
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_gro... |
MoveSelectedAtomsAction | 62440aa6-cf91-487b-a0de-e4fcab3c884e | mp-1192907 | Move atoms at indices [22, 5, 24, 16, 21, 18, 4, 17, 2, 3, 0, 25, 7, 8, 23] by [ 0.231 -1.311 -5.29 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr6P4O16
_chemical_formula_sum "Cr6 P4 O16"
_cell_length_a 4.83687353
_cell_length_b 7.999447349999999
_cell_length_c 10.782286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.04748126999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cr6P4O16
_chemical_formula_sum "Cr6 P4 O16"
_cell_length_a 4.83687353
_cell_length_b 7.999447349999999
_cell_length_c 10.782286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.04748126999999
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 1883a63d-20cb-4801-babb-d63647851796 | mp-753993 | Move atoms at indices [5, 7, 2, 9, 3, 4, 24, 26, 22, 15, 17, 12] by [ 1.724 -0.628 1.477] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4V4O20
_chemical_formula_sum "Nb4 V4 O20"
_cell_length_a 5.5994912
_cell_length_b 7.03718861
_cell_length_c 11.99087588
_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 Nb4V4O20
_chemical_formula_sum "Nb4 V4 O20"
_cell_length_a 5.5994912
_cell_length_b 7.03718861
_cell_length_c 11.99087588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveSelectedAtomsAction | 830ec497-e1ba-4e20-bb55-c4d4d903e833 | mp-1386638 | Move atoms at indices [25, 15, 19, 16, 17, 4, 0, 26, 3, 7, 18, 11, 5, 27, 8, 10, 21, 12, 2, 9, 23, 22, 20, 14, 13, 1, 6] by [-3.812 -0.597 3.324] angstrom in the cif file. | 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_... |
MoveSelectedAtomsAction | 90991e51-b6ba-42ef-9f80-13d6fb55bf08 | mp-705636 | Move atoms at indices [22, 15, 25, 44, 13, 8, 41, 42, 21, 29, 14, 48, 50, 38, 4, 1, 34, 45, 47, 12] by [ 0.622 -2.58 0.776] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Mn20O40
_chemical_formula_sum "Li6 Mn20 O40"
_cell_length_a 5.89207024
_cell_length_b 5.858170179999999
_cell_length_c 29.77496903
_cell_angle_alpha 60.53641309999999
_cell_angle_beta 60.084772949999994
_cell_angle_gamma 60.19014... | data_image0
_chemical_formula_structural Li6Mn20O40
_chemical_formula_sum "Li6 Mn20 O40"
_cell_length_a 5.89207024
_cell_length_b 5.858170179999999
_cell_length_c 29.77496903
_cell_angle_alpha 60.53641309999999
_cell_angle_beta 60.084772949999994
_cell_angle_gamma 60.19014... |
MoveSelectedAtomsAction | 8fcb2873-fde3-4577-b467-51a4f4bd7a18 | mp-1197433 | Move atoms at indices [9, 32] by [0.921 2.511 1.03 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm10Co38
_chemical_formula_sum "Sm10 Co38"
_cell_length_a 4.990224
_cell_length_b 4.990223349999999
_cell_length_c 31.911024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000432999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sm10Co38
_chemical_formula_sum "Sm10 Co38"
_cell_length_a 4.990224
_cell_length_b 4.990223349999999
_cell_length_c 31.911024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000432999998
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | b66e5432-40dc-4a37-bdc3-1c9194d0bcec | mp-1209821 | Move atoms at indices [2, 6, 13, 14, 11, 0] by [-1.495 2.489 -2.578] angstrom in the cif file. | data_image0
_chemical_formula_structural Np4Ge4O8
_chemical_formula_sum "Np4 Ge4 O8"
_cell_length_a 7.38406569
_cell_length_b 7.38406569
_cell_length_c 7.38406569
_cell_angle_alpha 125.96226568
_cell_angle_beta 125.96226568
_cell_angle_gamma 79.95016797
_space_group_name_... | data_image0
_chemical_formula_structural Np4Ge4O8
_chemical_formula_sum "Np4 Ge4 O8"
_cell_length_a 7.38406569
_cell_length_b 7.38406569
_cell_length_c 7.38406569
_cell_angle_alpha 125.96226568
_cell_angle_beta 125.96226568
_cell_angle_gamma 79.95016797
_space_group_name_... |
MoveSelectedAtomsAction | 60295fb5-2205-438f-8634-5e198361ff30 | mp-766138 | Move atoms at indices [6, 9, 27, 7, 15, 1, 18, 16, 21, 22, 13, 14, 4, 20, 29, 17, 33, 25, 3, 2, 19, 12, 30, 5, 11, 31] by [-1.316 -2.477 2.422] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Fe4P4O20
_chemical_formula_sum "Li6 Fe4 P4 O20"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li6Fe4P4O20
_chemical_formula_sum "Li6 Fe4 P4 O20"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | 8a95485a-cd1b-47b6-b928-2896b7cd7862 | mp-1194470 | Move atoms at indices [23, 15, 8, 21, 12, 1, 7, 13, 19, 10, 11, 25, 20, 24, 9, 6, 16] by [ 2.889 -4.213 3.528] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf6Al16Pt7
_chemical_formula_sum "Hf6 Al16 Pt7"
_cell_length_a 8.69292695
_cell_length_b 8.69292713
_cell_length_c 8.6929265
_cell_angle_alpha 60.00003086
_cell_angle_beta 60.00002578
_cell_angle_gamma 60.00003065
_space_group_name... | data_image0
_chemical_formula_structural Hf6Al16Pt7
_chemical_formula_sum "Hf6 Al16 Pt7"
_cell_length_a 8.69292695
_cell_length_b 8.69292713
_cell_length_c 8.6929265
_cell_angle_alpha 60.00003086
_cell_angle_beta 60.00002578
_cell_angle_gamma 60.00003065
_space_group_name... |
MoveSelectedAtomsAction | 0a5b68ea-bb64-4a43-9492-f7d854e5b748 | mp-2526683 | Move atoms at indices [10, 19, 17, 16, 7] by [-0.813 -1.123 -2.114] angstrom in the cif file. | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... |
MoveSelectedAtomsAction | 67f514ac-735b-40a7-9a07-3a057b6f80b0 | mp-1176443 | Move atoms at indices [21, 22, 13, 1, 27, 23, 15, 2, 25, 5, 17, 3, 4, 12, 14, 18, 0, 6] by [1.639 0.279 0.37 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Fe4B4O16
_chemical_formula_sum "Mn4 Fe4 B4 O16"
_cell_length_a 3.206634
_cell_length_b 9.582481
_cell_length_c 9.674115
_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 Mn4Fe4B4O16
_chemical_formula_sum "Mn4 Fe4 B4 O16"
_cell_length_a 3.206634
_cell_length_b 9.582481
_cell_length_c 9.674115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveSelectedAtomsAction | 85837946-556f-49d0-babf-ea653549a457 | mp-504554 | Move atoms at indices [1, 4, 22, 3, 11, 8, 18, 17, 20, 14, 6, 7, 15, 5, 0, 16, 19, 21, 23, 9, 13, 12] by [-2.565 0.756 -0.338] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba5Ta4O15
_chemical_formula_sum "Ba5 Ta4 O15"
_cell_length_a 5.81978595
_cell_length_b 5.81978595
_cell_length_c 11.884633370000001
_cell_angle_alpha 90.00003437
_cell_angle_beta 89.999961
_cell_angle_gamma 119.99998843
_space_grou... | data_image0
_chemical_formula_structural Ba5Ta4O15
_chemical_formula_sum "Ba5 Ta4 O15"
_cell_length_a 5.81978595
_cell_length_b 5.81978595
_cell_length_c 11.884633370000001
_cell_angle_alpha 90.00003437
_cell_angle_beta 89.999961
_cell_angle_gamma 119.99998843
_space_grou... |
MoveSelectedAtomsAction | a49d7f19-3885-4fd3-ab98-c14e844de88b | mp-1204107 | Move atoms at indices [50, 23, 51, 0, 42, 14, 18, 27, 31, 24, 2, 22, 53, 39, 10, 34, 37, 4, 52, 38, 15, 46, 47, 11, 21, 28, 12, 26, 44, 6, 43, 7, 19, 36, 5, 35, 48, 33, 29, 9, 1, 8, 54, 13, 17, 3] by [ 0.254 -0.522 4.379] angstrom in the cif file. | data_image0
_chemical_formula_structural Al8Fe4Si10O36
_chemical_formula_sum "Al8 Fe4 Si10 O36"
_cell_length_a 10.03890181
_cell_length_b 10.03890181
_cell_length_c 9.408538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.72560159
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Al8Fe4Si10O36
_chemical_formula_sum "Al8 Fe4 Si10 O36"
_cell_length_a 10.03890181
_cell_length_b 10.03890181
_cell_length_c 9.408538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.72560159
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 90f299d8-e0fd-4d92-82e4-1a8ab603a24e | mp-1019708 | Move atoms at indices [44, 21, 37, 18, 14, 12, 1] by [ 1.891 -2.432 -1.088] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O28
_chemical_formula_sum "Cs4 Ba4 Li4 P8 O28"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O28
_chemical_formula_sum "Cs4 Ba4 Li4 P8 O28"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
MoveSelectedAtomsAction | c7e1289b-53e5-46c9-884c-16d8befc4530 | mp-1033689 | Move atoms at indices [2, 8, 10] by [ 0.128 0.888 -1.523] angstrom in the cif file. | data_image0
_chemical_formula_structural RbMg6BO7
_chemical_formula_sum "Rb1 Mg6 B1 O7"
_cell_length_a 4.038395
_cell_length_b 4.038395
_cell_length_c 12.807
_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 RbMg6BO7
_chemical_formula_sum "Rb1 Mg6 B1 O7"
_cell_length_a 4.038395
_cell_length_b 4.038395
_cell_length_c 12.807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
MoveSelectedAtomsAction | 31260951-d9da-4576-b6f2-01f4c67e3d9e | mp-1224552 | Move atoms at indices [0] by [ 0.393 -1.765 1.169] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho4NiSn8
_chemical_formula_sum "Ho4 Ni1 Sn8"
_cell_length_a 4.390995
_cell_length_b 4.397435
_cell_length_c 16.888049
_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 Ho4NiSn8
_chemical_formula_sum "Ho4 Ni1 Sn8"
_cell_length_a 4.390995
_cell_length_b 4.397435
_cell_length_c 16.888049
_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... |
MoveSelectedAtomsAction | 40c10254-100e-4421-a346-ee06836d9227 | mp-34195 | Move atoms at indices [4, 6, 8, 7] by [-5.616 3.424 -0.274] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2C2O6
_chemical_formula_sum "Ba2 C2 O6"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba2C2O6
_chemical_formula_sum "Ba2 C2 O6"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveSelectedAtomsAction | 3cfc9ecb-eafb-480d-848b-533eb6743295 | mp-761916 | Move atoms at indices [35, 31, 46, 47, 16, 44, 34, 8, 5, 32, 12, 3, 0, 37, 1, 13, 9, 11, 23, 30, 38, 40, 41, 45, 17, 4, 25, 29] by [-0.408 2.101 1.264] angstrom in the cif file. | 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... |
MoveSelectedAtomsAction | 0427ddbb-251b-4c8c-885d-70e74b7d3bad | mp-1359845 | Move atoms at indices [23, 14, 30, 10, 20, 6, 17, 33, 9] by [-0.359 1.403 -4.771] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Cu4P8O28
_chemical_formula_sum "Ca2 Cu4 P8 O28"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_group_n... | data_image0
_chemical_formula_structural Ca2Cu4P8O28
_chemical_formula_sum "Ca2 Cu4 P8 O28"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_group_n... |
MoveSelectedAtomsAction | 351ecec1-189a-426d-af38-3468d1c29552 | mp-1202862 | Move atoms at indices [7, 21, 20, 11, 27, 13, 14, 2, 29] by [-0.03 -1.989 1.464] angstrom in the cif file. | data_image0
_chemical_formula_structural Co4S12N12O8
_chemical_formula_sum "Co4 S12 N12 O8"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Co4S12N12O8
_chemical_formula_sum "Co4 S12 N12 O8"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 34cd00d5-a0c0-4f8e-b45d-130de0c813f9 | mp-2715503 | Move atoms at indices [4, 55, 75, 3, 8, 66, 36, 2, 43, 12, 15, 73, 49, 28, 77, 58, 23, 56, 33, 6, 7] by [-1.101 0.269 2.923] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... |
MoveSelectedAtomsAction | 3fa25292-3e0b-497c-9d6e-669841040c24 | mp-1100683 | Move atoms at indices [1, 16, 30, 18, 7] by [-1.746 -0.787 0.68 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 7.7159323
_cell_length_b 7.7159322999999995
_cell_length_c 5.83132204
_cell_angle_alpha 68.16691333
_cell_angle_beta 68.16691333
_cell_angle_gamma 96.14700931
_spa... | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 7.7159323
_cell_length_b 7.7159322999999995
_cell_length_c 5.83132204
_cell_angle_alpha 68.16691333
_cell_angle_beta 68.16691333
_cell_angle_gamma 96.14700931
_spa... |
MoveSelectedAtomsAction | 728ee172-4ad7-428b-94d5-c2a1f9a63e57 | mp-559738 | Move atoms at indices [57, 63, 59, 50, 47, 58, 26, 37, 16, 17, 6, 49, 7, 3, 28, 32, 34, 41, 56, 22, 31, 33, 45, 11, 9, 54, 53, 30, 2, 21, 15, 13, 62, 24, 52, 38, 44, 0, 55, 23, 36, 4, 35, 46, 8, 5, 27] by [-0.231 0.523 3.482] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... |
MoveSelectedAtomsAction | 116e35ef-6fb3-4261-94b0-67134514adfa | mp-754011 | Move atoms at indices [14, 1, 4, 5, 8, 16, 15, 7, 11, 19, 17] by [ 2.031 0.287 -3.361] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Bi6O12
_chemical_formula_sum "Li2 Bi6 O12"
_cell_length_a 6.72808738
_cell_length_b 6.728087380000001
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.14724735999998
_cell_angle_gamma 93.14... | data_image0
_chemical_formula_structural Li2Bi6O12
_chemical_formula_sum "Li2 Bi6 O12"
_cell_length_a 6.72808738
_cell_length_b 6.728087380000001
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.14724735999998
_cell_angle_gamma 93.14... |
MoveSelectedAtomsAction | 8136bb17-6780-4887-8af3-32905aede244 | mp-555534 | Move atoms at indices [27, 23, 13, 8, 44, 28, 29, 14, 17, 5, 19, 36, 15, 43, 45, 39, 12, 21, 6, 18, 11, 1, 7, 34, 20, 38, 46, 2, 22, 40, 31, 33, 47, 42, 25, 3, 41, 26, 0, 16, 35, 37, 32, 4] by [0.576 0.179 2.12 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Mn2Mo8O30
_chemical_formula_sum "K8 Mn2 Mo8 O30"
_cell_length_a 10.5685905
_cell_length_b 10.5685905
_cell_length_c 8.35687
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000312999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K8Mn2Mo8O30
_chemical_formula_sum "K8 Mn2 Mo8 O30"
_cell_length_a 10.5685905
_cell_length_b 10.5685905
_cell_length_c 8.35687
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000312999998
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | e8f582bd-89c6-4725-a1b5-77082b47c494 | mp-1228731 | Move atoms at indices [39] by [-0.069 3.086 1.848] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O32"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.11374492
... | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O32"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.11374492
... |
MoveSelectedAtomsAction | 0c5d790c-88ca-4934-b65b-18cd3268454e | mp-1405776 | Move atoms at indices [6, 3, 8, 2, 5, 7, 4] by [ 3.189 0.686 -2.346] angstrom in the cif file. | data_image0
_chemical_formula_structural La2VZnO6
_chemical_formula_sum "La2 V1 Zn1 O6"
_cell_length_a 5.53529803
_cell_length_b 5.53529803
_cell_length_c 5.53529736
_cell_angle_alpha 61.57173501999999
_cell_angle_beta 61.57173501999999
_cell_angle_gamma 61.571734660000004... | data_image0
_chemical_formula_structural La2VZnO6
_chemical_formula_sum "La2 V1 Zn1 O6"
_cell_length_a 5.53529803
_cell_length_b 5.53529803
_cell_length_c 5.53529736
_cell_angle_alpha 61.57173501999999
_cell_angle_beta 61.57173501999999
_cell_angle_gamma 61.571734660000004... |
MoveSelectedAtomsAction | edf53a18-84e6-4250-a068-db74a11526f0 | mp-765679 | Move atoms at indices [16, 6, 4, 14, 21, 10, 3, 13, 18] by [ 0.148 -1.278 4.784] angstrom in the cif file. | data_image0
_chemical_formula_structural Na5Ni6O12
_chemical_formula_sum "Na5 Ni6 O12"
_cell_length_a 5.90590272
_cell_length_b 6.77917068
_cell_length_c 6.824543950000001
_cell_angle_alpha 66.79941026
_cell_angle_beta 76.6802411
_cell_angle_gamma 66.93232418
_space_group... | data_image0
_chemical_formula_structural Na5Ni6O12
_chemical_formula_sum "Na5 Ni6 O12"
_cell_length_a 5.90590272
_cell_length_b 6.77917068
_cell_length_c 6.824543950000001
_cell_angle_alpha 66.79941026
_cell_angle_beta 76.6802411
_cell_angle_gamma 66.93232418
_space_group... |
MoveSelectedAtomsAction | 7a9d0dc5-7cf8-46ef-b9d7-e84e46d0e558 | mp-753408 | Move atoms at indices [3, 4, 8, 1, 0, 7, 2, 9, 6] by [-3.035 2.819 3.723] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Li2Co2O4
_chemical_formula_sum "K2 Li2 Co2 O4"
_cell_length_a 5.71086211
_cell_length_b 5.71086211
_cell_length_c 8.36646467
_cell_angle_alpha 60.928591699999984
_cell_angle_beta 60.928591699999984
_cell_angle_gamma 34.51888808
_... | data_image0
_chemical_formula_structural K2Li2Co2O4
_chemical_formula_sum "K2 Li2 Co2 O4"
_cell_length_a 5.71086211
_cell_length_b 5.71086211
_cell_length_c 8.36646467
_cell_angle_alpha 60.928591699999984
_cell_angle_beta 60.928591699999984
_cell_angle_gamma 34.51888808
_... |
MoveSelectedAtomsAction | b2348306-5d84-4dea-ae21-aeff76ba9989 | mp-771174 | Move atoms at indices [18, 1, 12, 4, 35, 33, 26, 3, 16, 28, 0, 9, 27, 2, 23, 10, 29, 11, 17, 30, 21, 13, 15, 22, 8, 32, 19, 6, 7, 25, 31, 24, 34, 5, 14] by [-0.142 2.799 -0.534] angstrom in the cif file. | 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 ... |
MoveSelectedAtomsAction | 88a04d3e-953b-4420-b248-856958b03793 | mp-8877 | Move atoms at indices [1, 7, 15, 14, 10, 12, 20, 13] by [-3.656 1.249 -1.788] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Al6SO12
_chemical_formula_sum "Sr4 Al6 S1 O12"
_cell_length_a 8.09501311
_cell_length_b 8.09501311
_cell_length_c 8.09501311
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Sr4Al6SO12
_chemical_formula_sum "Sr4 Al6 S1 O12"
_cell_length_a 8.09501311
_cell_length_b 8.09501311
_cell_length_c 8.09501311
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... |
MoveSelectedAtomsAction | 58cc8703-483d-494a-9c73-76e69e977e3b | mp-26157 | Move atoms at indices [7, 9, 1, 25, 62, 51, 26, 12, 70, 2, 57, 33, 36, 65, 42, 45, 30, 31, 8, 22, 71, 47, 5, 64, 43, 66, 23, 54, 49, 17, 68, 14, 11, 50, 35, 55, 29, 21, 10, 44, 40, 6, 61, 27, 18, 0, 3, 24, 38, 52, 37, 13, 46, 56, 39, 53, 69, 63, 34, 15, 32, 58, 4] by [1.335 0.879 1.047] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Sb4P16O48
_chemical_formula_sum "Li4 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li4Sb4P16O48
_chemical_formula_sum "Li4 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
MoveSelectedAtomsAction | 9aad1aba-aff5-4538-8212-6567a50d1d89 | mp-11321 | Move atoms at indices [15, 6, 13, 14, 5, 0, 11, 9, 18, 3, 21, 8, 7, 20] by [ 1.187 -0.918 -1.049] angstrom in the cif file. | 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 ... |
MoveSelectedAtomsAction | 868b141b-55c3-4f7d-9c43-38fd6be06d8c | mp-1026795 | Move atoms at indices [2, 12, 10] by [-2.174 -0.744 -0.591] angstrom in the cif file. | data_image0
_chemical_formula_structural LiMg14W
_chemical_formula_sum "Li1 Mg14 W1"
_cell_length_a 6.29929991
_cell_length_b 6.299299410000001
_cell_length_c 9.95323684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural LiMg14W
_chemical_formula_sum "Li1 Mg14 W1"
_cell_length_a 6.29929991
_cell_length_b 6.299299410000001
_cell_length_c 9.95323684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | e0960744-2cd2-4131-968c-b63602942252 | mp-1522139 | Move atoms at indices [1, 9, 7, 0, 3, 5, 6, 8] by [ 0.736 0.985 -0.813] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2HfZrO6
_chemical_formula_sum "Ca2 Hf1 Zr1 O6"
_cell_length_a 5.84477636
_cell_length_b 5.844776360000001
_cell_length_c 5.844776360000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Ca2HfZrO6
_chemical_formula_sum "Ca2 Hf1 Zr1 O6"
_cell_length_a 5.84477636
_cell_length_b 5.844776360000001
_cell_length_c 5.844776360000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60... |
MoveSelectedAtomsAction | cdf1f534-6e93-44dc-b4f2-c24d8d60e419 | mp-13456 | Move atoms at indices [8, 3, 4, 0, 9, 7, 6, 5, 2] by [-2.326 -0.917 0.211] angstrom in the cif file. | 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... |
MoveSelectedAtomsAction | 74f16360-50db-4772-b899-b9b523ca9caa | mp-1519755 | Move atoms at indices [6, 8, 1, 5, 9, 2, 0, 4, 7] by [-1.563 0.887 -0.364] angstrom in the cif file. | data_image0
_chemical_formula_structural SrSmEuVO6
_chemical_formula_sum "Sr1 Sm1 Eu1 V1 O6"
_cell_length_a 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 5.848314359999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural SrSmEuVO6
_chemical_formula_sum "Sr1 Sm1 Eu1 V1 O6"
_cell_length_a 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 5.848314359999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveSelectedAtomsAction | 831d2619-5b25-4ed5-bb47-5f797003833a | mp-1234210 | Move atoms at indices [2, 18, 11, 4, 8, 13, 3, 5, 9, 7] by [-1.14 -2.053 0.208] angstrom in the cif file. | data_image0
_chemical_formula_structural MgP4Br12O4
_chemical_formula_sum "Mg1 P4 Br12 O4"
_cell_length_a 6.36628657
_cell_length_b 11.02611279
_cell_length_c 11.38689833
_cell_angle_alpha 89.53519106
_cell_angle_beta 90.22452353
_cell_angle_gamma 98.58385999000001
_space... | data_image0
_chemical_formula_structural MgP4Br12O4
_chemical_formula_sum "Mg1 P4 Br12 O4"
_cell_length_a 6.36628657
_cell_length_b 11.02611279
_cell_length_c 11.38689833
_cell_angle_alpha 89.53519106
_cell_angle_beta 90.22452353
_cell_angle_gamma 98.58385999000001
_space... |
MoveSelectedAtomsAction | 7049169e-213f-4678-8c16-429e03915fe5 | mp-1208324 | Move atoms at indices [10, 2, 14, 7, 9, 1, 18, 0, 13, 3, 12, 16, 17, 6, 8] by [ 0.321 -0.461 -0.666] angstrom in the cif file. | 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... |
MoveSelectedAtomsAction | 5a0256a6-a168-4441-ae33-75d21f381ca2 | mp-759254 | Move atoms at indices [43, 53, 15, 5, 46, 24, 11, 25, 31, 58, 21, 64, 37, 35, 22, 18, 17, 41, 19, 26, 45, 68, 34, 0, 28, 42, 10, 20, 62, 13, 14, 30, 9, 59, 48] by [ 0.134 1.469 -0.616] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... |
MoveSelectedAtomsAction | 3cc80e3a-300d-4bcd-bf58-911af9ce0473 | mp-1209288 | Move atoms at indices [1, 11, 8, 3, 5, 0, 9] by [-4.438 3.069 -1.063] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4Te4As4
_chemical_formula_sum "Pr4 Te4 As4"
_cell_length_a 4.16353513
_cell_length_b 7.82507677
_cell_length_c 10.30957707
_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 Pr4Te4As4
_chemical_formula_sum "Pr4 Te4 As4"
_cell_length_a 4.16353513
_cell_length_b 7.82507677
_cell_length_c 10.30957707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | 8309a489-2b1f-4eb7-a2f9-69c87bb55a40 | mp-1110828 | Move atoms at indices [3, 2, 4, 5, 0, 9] by [ 1.061 -1.404 -0.6 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... |
MoveSelectedAtomsAction | 28ae3a1a-98f5-4a94-8a1e-624f70f702ea | mp-20547 | Move atoms at indices [8, 6, 23, 21, 4, 10, 18, 13, 19, 9, 5, 11, 15, 25, 0, 1, 16, 2, 14, 12, 20] by [ 3.389 -0.597 -0.354] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Fe8O16
_chemical_formula_sum "Ca4 Fe8 O16"
_cell_length_a 3.02567488
_cell_length_b 9.24346216
_cell_length_c 10.72256921
_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 Ca4Fe8O16
_chemical_formula_sum "Ca4 Fe8 O16"
_cell_length_a 3.02567488
_cell_length_b 9.24346216
_cell_length_c 10.72256921
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | b830268e-a5d9-44f0-9670-011e9befa743 | mp-1197546 | Move atoms at indices [7, 28] by [-1.803 2.392 -2.077] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Cu4As4O20
_chemical_formula_sum "Ca4 Cu4 As4 O20"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_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 Ca4Cu4As4O20
_chemical_formula_sum "Ca4 Cu4 As4 O20"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | de5e3ae7-d370-4a36-b34b-6423a822f619 | mp-1214189 | Move atoms at indices [45, 15, 27, 42, 36, 12, 37, 32, 30, 39, 20, 22, 3, 13, 16, 7, 38, 26, 41, 8, 33, 29, 11, 34, 14, 4, 9, 19, 31, 25, 21, 0, 44] by [ 1.749 -1.993 2.869] angstrom in the cif file. | data_image0
_chemical_formula_structural Be6Si6C8S2O24
_chemical_formula_sum "Be6 Si6 C8 S2 O24"
_cell_length_a 8.021437
_cell_length_b 8.021437
_cell_length_c 8.021437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Be6Si6C8S2O24
_chemical_formula_sum "Be6 Si6 C8 S2 O24"
_cell_length_a 8.021437
_cell_length_b 8.021437
_cell_length_c 8.021437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 561163ab-3876-4c3d-8a08-30a28942612c | mp-1113048 | Move atoms at indices [0] by [-1.316 2.103 -2.97 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2RbAlF6
_chemical_formula_sum "Cs2 Rb1 Al1 F6"
_cell_length_a 5.98039244
_cell_length_b 5.98039226
_cell_length_c 5.98039226
_cell_angle_alpha 60.00000076999999
_cell_angle_beta 60.000001140000016
_cell_angle_gamma 60.00000117
_s... | data_image0
_chemical_formula_structural Cs2RbAlF6
_chemical_formula_sum "Cs2 Rb1 Al1 F6"
_cell_length_a 5.98039244
_cell_length_b 5.98039226
_cell_length_c 5.98039226
_cell_angle_alpha 60.00000076999999
_cell_angle_beta 60.000001140000016
_cell_angle_gamma 60.00000117
_s... |
MoveSelectedAtomsAction | cf7127e9-5226-4872-819b-540282f117ec | mp-760927 | Move atoms at indices [17, 29, 14, 16, 7, 4, 18, 15, 22, 25, 6, 3, 26, 11, 23, 24, 28, 27, 12, 0, 9, 19, 5, 21, 8, 13, 30, 1, 31, 2, 10] by [-1.387 2.912 -0.805] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ti4P4O20
_chemical_formula_sum "Na4 Ti4 P4 O20"
_cell_length_a 6.547784
_cell_length_b 7.496283
_cell_length_c 7.817011
_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 Na4Ti4P4O20
_chemical_formula_sum "Na4 Ti4 P4 O20"
_cell_length_a 6.547784
_cell_length_b 7.496283
_cell_length_c 7.817011
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveSelectedAtomsAction | 40ac623b-b616-4b9e-995a-3933c53ba67b | mp-1539446 | Move atoms at indices [3] by [-0.105 0.59 -1.057] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Pt2Cl8
_chemical_formula_sum "Cs4 Pt2 Cl8"
_cell_length_a 7.44671597
_cell_length_b 7.4467158
_cell_length_c 9.47830816
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.98841345999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4Pt2Cl8
_chemical_formula_sum "Cs4 Pt2 Cl8"
_cell_length_a 7.44671597
_cell_length_b 7.4467158
_cell_length_c 9.47830816
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.98841345999999
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 05451678-78d8-41db-92c3-f246d1b13a9d | mp-580962 | Move atoms at indices [13, 3] by [-1.978 -1.46 1.416] angstrom in the cif file. | 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 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... |
MoveSelectedAtomsAction | ab9839dd-4fee-4032-98ee-59731584311c | mp-1207936 | Move atoms at indices [4, 53, 9, 49, 15, 25, 54, 3, 17, 44, 34, 36, 14, 20, 10, 11, 19, 52, 40, 13, 27, 26, 32, 45, 2, 29, 42, 22, 0, 39, 8, 5, 33, 35, 50, 30, 1, 18, 28, 48, 51] by [-1.344 -1.737 1.087] angstrom in the cif file. | data_image0
_chemical_formula_structural V4B4P8N4O36
_chemical_formula_sum "V4 B4 P8 N4 O36"
_cell_length_a 8.412787
_cell_length_b 9.477069
_cell_length_c 9.56597293
_cell_angle_alpha 75.74640795
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural V4B4P8N4O36
_chemical_formula_sum "V4 B4 P8 N4 O36"
_cell_length_a 8.412787
_cell_length_b 9.477069
_cell_length_c 9.56597293
_cell_angle_alpha 75.74640795
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | 3a6cff35-de0f-4791-92a8-2cba8f36ced1 | mp-1112206 | Move atoms at indices [8, 1] by [-2.607 -1.236 0.033] angstrom in the cif file. | data_image0
_chemical_formula_structural K2GaHgI6
_chemical_formula_sum "K2 Ga1 Hg1 I6"
_cell_length_a 8.40003965
_cell_length_b 8.40003965
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2GaHgI6
_chemical_formula_sum "K2 Ga1 Hg1 I6"
_cell_length_a 8.40003965
_cell_length_b 8.40003965
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
MoveSelectedAtomsAction | e81ca787-4a6f-40f5-abe9-67add54ba91f | mp-763659 | Move atoms at indices [3] by [0.313 3.033 3.126] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3V2Fe2O8
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_spac... | data_image0
_chemical_formula_structural Li3V2Fe2O8
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_spac... |
MoveSelectedAtomsAction | d768caf5-914c-4e33-b0d9-a8a4d4b7dec4 | mp-1033833 | Move atoms at indices [4, 8, 13, 1, 2, 14, 9, 10] by [-2.938 -0.621 -0.359] angstrom in the cif file. | 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... |
MoveSelectedAtomsAction | 2452e7b7-8020-412a-bb39-bbf6679d5870 | mp-1238696 | Move atoms at indices [12, 6, 1, 74, 52, 41, 36, 86, 55, 62, 32, 60, 38, 97, 98, 71, 49, 25, 17, 3, 11, 69, 39, 37, 2, 66, 88, 64, 96, 78, 92, 23, 56, 72, 79, 99, 0, 9, 30, 47, 82, 59, 94, 63, 19, 28, 44, 45] by [-0.217 -1.611 0.178] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe4H40S8N16O32
_chemical_formula_sum "Fe4 H40 S8 N16 O32"
_cell_length_a 8.51289682
_cell_length_b 11.98523831
_cell_length_c 9.362529659999998
_cell_angle_alpha 89.0593966
_cell_angle_beta 102.58209187
_cell_angle_gamma 92.48701985... | data_image0
_chemical_formula_structural Fe4H40S8N16O32
_chemical_formula_sum "Fe4 H40 S8 N16 O32"
_cell_length_a 8.51289682
_cell_length_b 11.98523831
_cell_length_c 9.362529659999998
_cell_angle_alpha 89.0593966
_cell_angle_beta 102.58209187
_cell_angle_gamma 92.48701985... |
MoveSelectedAtomsAction | e039735c-f3cd-4fad-ab42-4f5d93e60020 | mp-1098369 | Move atoms at indices [48, 13, 4, 11, 35, 26, 1, 5, 10, 18, 28, 54, 16, 39, 23, 41, 44, 24, 47, 42, 29, 17, 60, 22, 27, 37, 21, 46, 31, 7, 56, 62] by [ 0.615 1.882 -3.099] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_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 Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveSelectedAtomsAction | f15c5a01-02cb-411b-af58-ee37c85f5819 | mp-1212504 | Move atoms at indices [19, 45, 0, 33, 60, 63, 6, 29, 14, 34, 66, 9, 15, 57, 1, 54, 27, 31, 37, 75, 18, 62, 26, 39, 7, 73, 5, 56, 51, 11, 25, 79, 32, 43, 76, 53, 44, 77, 50] by [ 1.038 -0.574 -1.258] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd8P12H20W4O36
_chemical_formula_sum "Nd8 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Nd8P12H20W4O36
_chemical_formula_sum "Nd8 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
MoveSelectedAtomsAction | adebea59-6182-40f2-a9d6-e44ad3045f45 | mp-755878 | Move atoms at indices [15, 6, 4, 8, 0, 7, 9, 12, 10, 16, 1] by [-0.623 -0.715 0.486] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 5.54772546
_cell_length_b 5.83613003
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 5.54772546
_cell_length_b 5.83613003
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group_name_H-M... |
MoveSelectedAtomsAction | 4c578207-5b4f-46b2-9c1a-055f61fff3c3 | mp-1044845 | Move atoms at indices [29, 46, 22, 10, 5, 25, 27, 20, 8] by [-1.263 -0.963 -0.706] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Al3Fe6F33
_chemical_formula_sum "Ba6 Al3 Fe6 F33"
_cell_length_a 7.44947064
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_space_group_name_H... | data_image0
_chemical_formula_structural Ba6Al3Fe6F33
_chemical_formula_sum "Ba6 Al3 Fe6 F33"
_cell_length_a 7.44947064
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_space_group_name_H... |
MoveSelectedAtomsAction | 574812d4-b214-4731-bf45-3ccad2510f1d | mp-1221954 | Move atoms at indices [0, 6, 3, 4, 7, 1, 2, 8, 5, 9] by [ 0.9 0.774 -2.137] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTi2ZnO6
_chemical_formula_sum "Mg1 Ti2 Zn1 O6"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787... | data_image0
_chemical_formula_structural MgTi2ZnO6
_chemical_formula_sum "Mg1 Ti2 Zn1 O6"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787... |
MoveSelectedAtomsAction | b14fb7a3-cb14-4425-95ce-237c47a63ede | mp-2231016 | Move atoms at indices [9, 8, 0] by [2.748 1.475 0.915] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe6O7F5
_chemical_formula_sum "Mg1 Fe6 O7 F5"
_cell_length_a 5.23093221
_cell_length_b 5.189853770000001
_cell_length_c 8.8565157
_cell_angle_alpha 86.86399567999999
_cell_angle_beta 92.12704567999998
_cell_angle_gamma 102.3567853... | data_image0
_chemical_formula_structural MgFe6O7F5
_chemical_formula_sum "Mg1 Fe6 O7 F5"
_cell_length_a 5.23093221
_cell_length_b 5.189853770000001
_cell_length_c 8.8565157
_cell_angle_alpha 86.86399567999999
_cell_angle_beta 92.12704567999998
_cell_angle_gamma 102.3567853... |
MoveSelectedAtomsAction | af6340dd-f396-43f4-8f07-0e2dc7d3e1e2 | mp-1105260 | Move atoms at indices [19, 9, 18] by [-0.661 0.358 2.099] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... |
MoveSelectedAtomsAction | b7985ae1-b3c4-4c11-a383-aeda0837b0ed | mp-1173893 | Move atoms at indices [10, 1, 13, 3, 9] by [-3.343 -1.641 -4.065] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 2.920526
_cell_length_b 6.60737649
_cell_length_c 7.89451648
_cell_angle_alpha 88.82980695
_cell_angle_beta 100.65433203
_cell_angle_gamma 77.23435797
_space_group_n... | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 2.920526
_cell_length_b 6.60737649
_cell_length_c 7.89451648
_cell_angle_alpha 88.82980695
_cell_angle_beta 100.65433203
_cell_angle_gamma 77.23435797
_space_group_n... |
MoveSelectedAtomsAction | b08649a7-726c-4e51-949f-36a59e5bf3f4 | mp-9563 | Move atoms at indices [7] by [-3.268 1.37 -2.753] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Sb6
_chemical_formula_sum "Li12 Sb6"
_cell_length_a 7.95140499
_cell_length_b 7.9514049899999995
_cell_length_c 6.568351
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000822000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li12Sb6
_chemical_formula_sum "Li12 Sb6"
_cell_length_a 7.95140499
_cell_length_b 7.9514049899999995
_cell_length_c 6.568351
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000822000001
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | 30092635-6c14-4927-96fe-b33f93aefd73 | mp-707732 | Move atoms at indices [28, 6, 37] by [ 4.203 3.309 -0.909] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4ZnP6H12O24
_chemical_formula_sum "Na4 Zn1 P6 H12 O24"
_cell_length_a 7.356004
_cell_length_b 9.31164289
_cell_length_c 9.54838386
_cell_angle_alpha 65.6011162
_cell_angle_beta 74.88099345
_cell_angle_gamma 71.92320563999999
_spa... | data_image0
_chemical_formula_structural Na4ZnP6H12O24
_chemical_formula_sum "Na4 Zn1 P6 H12 O24"
_cell_length_a 7.356004
_cell_length_b 9.31164289
_cell_length_c 9.54838386
_cell_angle_alpha 65.6011162
_cell_angle_beta 74.88099345
_cell_angle_gamma 71.92320563999999
_spa... |
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