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 | bea27e3e-bf27-4e47-b5c7-c06d7d5c0058 | mp-1044904 | Move atoms at indices [41] by [-0.658 -2.938 1.373] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Si2Sb2W13O28
_chemical_formula_sum "Y4 Si2 Sb2 W13 O28"
_cell_length_a 12.97580073
_cell_length_b 12.97580073
_cell_length_c 9.624540749999998
_cell_angle_alpha 85.53622521
_cell_angle_beta 85.53622521
_cell_angle_gamma 152.187774... | data_image0
_chemical_formula_structural Y4Si2Sb2W13O28
_chemical_formula_sum "Y4 Si2 Sb2 W13 O28"
_cell_length_a 12.97580073
_cell_length_b 12.97580073
_cell_length_c 9.624540749999998
_cell_angle_alpha 85.53622521
_cell_angle_beta 85.53622521
_cell_angle_gamma 152.187774... |
MoveSelectedAtomsAction | ae1448d9-60db-427d-a447-33af8e6b7a8c | mp-1341052 | Move atoms at indices [6] by [ 0.207 -4.55 0.993] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4W4O10
_chemical_formula_sum "Ca4 W4 O10"
_cell_length_a 3.976709
_cell_length_b 5.492253
_cell_length_c 10.984542
_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 Ca4W4O10
_chemical_formula_sum "Ca4 W4 O10"
_cell_length_a 3.976709
_cell_length_b 5.492253
_cell_length_c 10.984542
_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 | ce6a5130-6469-474f-b860-c20dfaadfe04 | mp-1036398 | Move atoms at indices [3, 24] by [-3.142 1.776 -1.813] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14AlBO16
_chemical_formula_sum "Mg14 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_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 Mg14AlBO16
_chemical_formula_sum "Mg14 Al1 B1 O16"
_cell_length_a 8.43990036
_cell_length_b 8.43990036
_cell_length_c 4.18638648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | bede7fcc-93b2-4b41-a380-75a819721203 | mp-866712 | Move atoms at indices [7, 8, 21, 27, 0, 18, 14, 22, 25, 19, 23, 1, 24, 26, 9, 2, 30, 20, 6, 11] by [-0.37 1.886 -0.409] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2Mn2P6H2O20
_chemical_formula_sum "Rb2 Mn2 P6 H2 O20"
_cell_length_a 7.45061739
_cell_length_b 7.4494786
_cell_length_c 8.81472559
_cell_angle_alpha 76.23618966
_cell_angle_beta 103.76421994
_cell_angle_gamma 109.87850337
_space_... | data_image0
_chemical_formula_structural Rb2Mn2P6H2O20
_chemical_formula_sum "Rb2 Mn2 P6 H2 O20"
_cell_length_a 7.45061739
_cell_length_b 7.4494786
_cell_length_c 8.81472559
_cell_angle_alpha 76.23618966
_cell_angle_beta 103.76421994
_cell_angle_gamma 109.87850337
_space_... |
MoveSelectedAtomsAction | d69ec720-d553-40e9-8e6e-df80c3424ae2 | mp-1200799 | Move atoms at indices [38, 13, 19, 56, 27, 1, 39, 58, 20, 18, 42, 28, 26, 25, 35, 45, 59, 47, 53, 32, 24, 12, 36, 34, 54, 14, 8, 5, 41, 4, 21, 33, 0, 29, 10, 31, 17, 55] by [-1.243 0.571 0.99 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8P8O44
_chemical_formula_sum "Ca8 P8 O44"
_cell_length_a 7.594686
_cell_length_b 10.73256
_cell_length_c 12.41554938
_cell_angle_alpha 67.75535302
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ca8P8O44
_chemical_formula_sum "Ca8 P8 O44"
_cell_length_a 7.594686
_cell_length_b 10.73256
_cell_length_c 12.41554938
_cell_angle_alpha 67.75535302
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveSelectedAtomsAction | 2e6971ac-41aa-4b65-ae65-ad595213248b | mp-767946 | Move atoms at indices [19, 17, 32, 13, 11, 24, 23, 6, 2, 4, 28, 26, 15, 35, 7, 5, 0, 9, 34, 29, 20, 25, 3, 31, 22, 8, 12, 33, 21] by [-0.62 -0.448 -0.616] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2V3SbP6O24
_chemical_formula_sum "Mn2 V3 Sb1 P6 O24"
_cell_length_a 8.72948468
_cell_length_b 8.72948468
_cell_length_c 8.72948441
_cell_angle_alpha 59.75848674
_cell_angle_beta 59.75848674
_cell_angle_gamma 59.75848234000001
_sp... | data_image0
_chemical_formula_structural Mn2V3SbP6O24
_chemical_formula_sum "Mn2 V3 Sb1 P6 O24"
_cell_length_a 8.72948468
_cell_length_b 8.72948468
_cell_length_c 8.72948441
_cell_angle_alpha 59.75848674
_cell_angle_beta 59.75848674
_cell_angle_gamma 59.75848234000001
_sp... |
MoveSelectedAtomsAction | 55b4029e-0a96-4597-a846-2067511fa340 | mp-30156 | Move atoms at indices [8, 3, 10, 0, 7, 1, 9] by [-2.092 1.002 2.202] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mg4N4
_chemical_formula_sum "Li4 Mg4 N4"
_cell_length_a 3.48231532
_cell_length_b 4.9830527
_cell_length_c 7.11871738
_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 Li4Mg4N4
_chemical_formula_sum "Li4 Mg4 N4"
_cell_length_a 3.48231532
_cell_length_b 4.9830527
_cell_length_c 7.11871738
_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 | 95bba36d-1d13-43ff-8cc6-a58f981aef2d | mp-676210 | Move atoms at indices [6, 19, 7, 2, 5] by [ 1.948 -0.929 0.547] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti4Cl12
_chemical_formula_sum "Li4 Ti4 Cl12"
_cell_length_a 7.44327449
_cell_length_b 7.44327449
_cell_length_c 12.345259959999998
_cell_angle_alpha 71.52505696
_cell_angle_beta 71.52505696
_cell_angle_gamma 57.46468224
_space_g... | data_image0
_chemical_formula_structural Li4Ti4Cl12
_chemical_formula_sum "Li4 Ti4 Cl12"
_cell_length_a 7.44327449
_cell_length_b 7.44327449
_cell_length_c 12.345259959999998
_cell_angle_alpha 71.52505696
_cell_angle_beta 71.52505696
_cell_angle_gamma 57.46468224
_space_g... |
MoveSelectedAtomsAction | ae84240d-472c-453b-9de8-9867abd29fb0 | mp-1213236 | Move atoms at indices [50, 28, 18, 64, 9, 53, 45, 63, 56, 5, 11, 10, 60, 2, 0, 12, 47, 51, 16, 41, 14, 66, 22, 35, 54, 13, 31, 4, 65, 15, 25, 69, 32, 70, 59, 29, 26, 3, 57, 37, 36, 7, 17, 24, 8, 67, 58, 30, 6, 71, 42, 68, 40, 55, 46, 43, 61, 21, 38, 34, 44, 52, 27, 49, 62, 20, 39, 23, 33, 1, 19] by [-0.734 0.755 -3.08... | data_image0
_chemical_formula_structural La4P12O56
_chemical_formula_sum "La4 P12 O56"
_cell_length_a 7.027589
_cell_length_b 13.07274
_cell_length_c 13.706809
_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 La4P12O56
_chemical_formula_sum "La4 P12 O56"
_cell_length_a 7.027589
_cell_length_b 13.07274
_cell_length_c 13.706809
_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... |
MoveSelectedAtomsAction | 5b405f97-8eb8-470e-9ec9-73b822082c82 | mp-571288 | Move atoms at indices [4, 10, 13, 3, 2, 12, 5, 8, 0] by [-0.663 1.416 2.066] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Ta2Ag4Se8
_chemical_formula_sum "K2 Ta2 Ag4 Se8"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 8.375799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.59204863
_space_group_name_H... | data_image0
_chemical_formula_structural K2Ta2Ag4Se8
_chemical_formula_sum "K2 Ta2 Ag4 Se8"
_cell_length_a 10.42076555
_cell_length_b 10.420765549999999
_cell_length_c 8.375799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.59204863
_space_group_name_H... |
MoveSelectedAtomsAction | 1c49f285-c944-4aa6-b8eb-9bfe1e27bd00 | mp-2713621 | Move atoms at indices [43, 5, 51, 66, 10] by [ 1.179 -2.736 -2.648] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... |
MoveSelectedAtomsAction | d62d4c7e-3161-4f1d-85e9-f50053721179 | mp-27741 | Move atoms at indices [7, 3, 11, 5, 10, 1, 0, 4] by [-0.141 1.42 1.573] angstrom in the cif file. | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 8a752b3e-38f4-4ac5-abf7-35fd520a37bf | mp-1016342 | Move atoms at indices [9] by [-3.14 -0.337 -1.071] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2Mg12Sb2
_chemical_formula_sum "Sr2 Mg12 Sb2"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_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 Sr2Mg12Sb2
_chemical_formula_sum "Sr2 Mg12 Sb2"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_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 | ebb9aa4d-9a33-41ca-acd9-eb657cfa4764 | mp-561248 | Move atoms at indices [18, 4, 13, 27, 10, 25, 1, 24, 22, 7, 21, 26, 20, 8, 31, 2, 16, 23, 6, 19, 3, 28, 5, 12, 9, 15, 11, 17, 29, 30] by [ 0.094 -0.021 -3.332] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm8Cu8Te8S8
_chemical_formula_sum "Sm8 Cu8 Te8 S8"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_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 Sm8Cu8Te8S8
_chemical_formula_sum "Sm8 Cu8 Te8 S8"
_cell_length_a 7.567117
_cell_length_b 7.593951
_cell_length_c 12.702861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveSelectedAtomsAction | 477df3a0-e95b-4b22-9bbd-fe737f600a00 | mp-1178123 | Move atoms at indices [12, 2, 9, 8, 21] by [-0.993 -8.411 -0.473] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co8O16
_chemical_formula_sum "Li4 Co8 O16"
_cell_length_a 5.72944164
_cell_length_b 5.729441639999999
_cell_length_c 9.404251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.87882780999999
_space_group_name_H-... | data_image0
_chemical_formula_structural Li4Co8O16
_chemical_formula_sum "Li4 Co8 O16"
_cell_length_a 5.72944164
_cell_length_b 5.729441639999999
_cell_length_c 9.404251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.87882780999999
_space_group_name_H-... |
MoveSelectedAtomsAction | 661e52bb-37ae-407b-bc0f-754c65bff269 | mp-2232163 | Move atoms at indices [0, 11, 5, 4, 14, 7, 3, 12, 2, 8, 6, 1, 10, 13, 9] by [-1.834 -0.509 -1.072] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe2S2O8F2
_chemical_formula_sum "Mg1 Fe2 S2 O8 F2"
_cell_length_a 5.43255704
_cell_length_b 5.43448225
_cell_length_c 7.72976369
_cell_angle_alpha 68.54836201
_cell_angle_beta 72.66019112000001
_cell_angle_gamma 91.96954964000001
... | data_image0
_chemical_formula_structural MgFe2S2O8F2
_chemical_formula_sum "Mg1 Fe2 S2 O8 F2"
_cell_length_a 5.43255704
_cell_length_b 5.43448225
_cell_length_c 7.72976369
_cell_angle_alpha 68.54836201
_cell_angle_beta 72.66019112000001
_cell_angle_gamma 91.96954964000001
... |
MoveSelectedAtomsAction | 8ea96e9f-9f44-4c5a-8005-f4f381abad43 | mp-2218162 | Move atoms at indices [6, 3, 4, 5, 11, 7, 10, 8, 9, 0, 2] by [ 0.075 -0.723 2.711] angstrom in the cif file. | data_image0
_chemical_formula_structural MgNbBi3O7
_chemical_formula_sum "Mg1 Nb1 Bi3 O7"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 60.4450... | data_image0
_chemical_formula_structural MgNbBi3O7
_chemical_formula_sum "Mg1 Nb1 Bi3 O7"
_cell_length_a 3.69064346
_cell_length_b 3.6439558000000005
_cell_length_c 18.48304426
_cell_angle_alpha 66.78290387000001
_cell_angle_beta 60.61722274999999
_cell_angle_gamma 60.4450... |
MoveSelectedAtomsAction | d009a09c-74bc-4321-b864-bebfddaf0bb9 | mp-2227447 | Move atoms at indices [2, 7, 3, 0, 1, 8, 5, 4, 6, 10, 9] by [ 4.727 0.344 -0.75 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn3HO6
_chemical_formula_sum "Mg1 Mn3 H1 O6"
_cell_length_a 3.00975532
_cell_length_b 5.20196557
_cell_length_c 7.42103346
_cell_angle_alpha 92.90304337
_cell_angle_beta 101.50906820000002
_cell_angle_gamma 89.93480920999998
_spa... | data_image0
_chemical_formula_structural MgMn3HO6
_chemical_formula_sum "Mg1 Mn3 H1 O6"
_cell_length_a 3.00975532
_cell_length_b 5.20196557
_cell_length_c 7.42103346
_cell_angle_alpha 92.90304337
_cell_angle_beta 101.50906820000002
_cell_angle_gamma 89.93480920999998
_spa... |
MoveSelectedAtomsAction | 42aab8a2-f388-4f05-a561-fb548f649cff | mp-757417 | Move atoms at indices [3, 26, 19, 7, 27, 25, 16, 18, 23, 15, 1, 5, 17, 8, 9, 10, 11, 12] by [0.54 0.353 3.757] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn3NiP4O16
_chemical_formula_sum "Li4 Mn3 Ni1 P4 O16"
_cell_length_a 6.101448
_cell_length_b 4.768228
_cell_length_c 10.43285751
_cell_angle_alpha 89.89808202999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Li4Mn3NiP4O16
_chemical_formula_sum "Li4 Mn3 Ni1 P4 O16"
_cell_length_a 6.101448
_cell_length_b 4.768228
_cell_length_c 10.43285751
_cell_angle_alpha 89.89808202999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveSelectedAtomsAction | d140959d-b42c-4f9c-8afc-e4edbc839d31 | mp-1182309 | Move atoms at indices [25, 8, 4, 12, 19, 23, 17, 18, 9, 14, 10, 3, 13, 6, 24, 7, 16, 1, 5, 2, 0] by [0.075 1.41 0.782] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2B4O20
_chemical_formula_sum "Ca2 B4 O20"
_cell_length_a 8.50278134
_cell_length_b 8.50278134
_cell_length_c 8.857175189999998
_cell_angle_alpha 70.68163003
_cell_angle_beta 70.68163003
_cell_angle_gamma 42.86706253999999
_space_... | data_image0
_chemical_formula_structural Ca2B4O20
_chemical_formula_sum "Ca2 B4 O20"
_cell_length_a 8.50278134
_cell_length_b 8.50278134
_cell_length_c 8.857175189999998
_cell_angle_alpha 70.68163003
_cell_angle_beta 70.68163003
_cell_angle_gamma 42.86706253999999
_space_... |
MoveSelectedAtomsAction | ee9e1d22-6f37-4a63-adbc-ae03d8bc04a3 | mp-2217709 | Move atoms at indices [4, 1, 7, 8, 6] by [ 0.71 -4.492 -1.773] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTiZnBi2O6
_chemical_formula_sum "Mg1 Ti1 Zn1 Bi2 O6"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgTiZnBi2O6
_chemical_formula_sum "Mg1 Ti1 Zn1 Bi2 O6"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 34df5d62-03fb-4469-a759-bc23b3b3e3a7 | mp-755742 | Move atoms at indices [17, 1, 16, 10, 15, 18, 14, 21, 5, 2, 4, 19, 7, 12] by [-0.918 0.7 -0.653] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho4Sb4O14
_chemical_formula_sum "Ho4 Sb4 O14"
_cell_length_a 7.53854295
_cell_length_b 7.53854295
_cell_length_c 7.53854295
_cell_angle_alpha 121.21490040999998
_cell_angle_beta 118.52242450000001
_cell_angle_gamma 90.2433866
_spac... | data_image0
_chemical_formula_structural Ho4Sb4O14
_chemical_formula_sum "Ho4 Sb4 O14"
_cell_length_a 7.53854295
_cell_length_b 7.53854295
_cell_length_c 7.53854295
_cell_angle_alpha 121.21490040999998
_cell_angle_beta 118.52242450000001
_cell_angle_gamma 90.2433866
_spac... |
MoveSelectedAtomsAction | 2bf269ec-3b22-4786-8682-fa9efce407e9 | mp-729312 | Move atoms at indices [26, 34, 13, 4, 1, 18, 31, 15, 22, 30, 27, 8, 21, 7, 14, 5, 19, 28] by [ 0.644 1.127 -1.419] angstrom in the cif file. | data_image0
_chemical_formula_structural K8In4Br20O4
_chemical_formula_sum "K8 In4 Br20 O4"
_cell_length_a 8.351858
_cell_length_b 10.76391
_cell_length_c 13.275205
_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 K8In4Br20O4
_chemical_formula_sum "K8 In4 Br20 O4"
_cell_length_a 8.351858
_cell_length_b 10.76391
_cell_length_c 13.275205
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveSelectedAtomsAction | 981bd6cb-b9ae-4559-a1a1-b2262ef20b87 | mp-770481 | Move atoms at indices [26, 1, 28, 19, 15] by [ 1.752 -2.803 -3.254] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... | data_image0
_chemical_formula_structural Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... |
MoveSelectedAtomsAction | 7e8fd020-629f-4695-b91f-994917ac40a3 | mp-24598 | Move atoms at indices [66, 23, 11, 39, 2, 8, 61, 6, 10, 38, 0, 58, 1, 28, 34, 64, 26, 36, 57, 42] by [ 1.373 2.494 -1.852] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveSelectedAtomsAction | ba551242-459a-4495-86e9-7cf166e50e47 | mp-762633 | Move atoms at indices [3, 9, 4, 8, 2, 1, 5, 7, 0, 6] by [-0.777 -0.066 -1.376] angstrom in the cif file. | data_image0
_chemical_formula_structural LiMn2NiO6
_chemical_formula_sum "Li1 Mn2 Ni1 O6"
_cell_length_a 2.915938
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
_space_gr... | data_image0
_chemical_formula_structural LiMn2NiO6
_chemical_formula_sum "Li1 Mn2 Ni1 O6"
_cell_length_a 2.915938
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
_space_gr... |
MoveSelectedAtomsAction | aae84e15-5e18-4dfe-8c75-869ea2ae89ce | mp-1174239 | Move atoms at indices [7, 22, 9, 13, 27, 8, 10, 16, 26, 6, 15, 12, 24, 18, 17, 0, 1, 20, 2, 25, 11, 5, 4, 19] by [ 0.308 -2.19 2.408] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... | data_image0
_chemical_formula_structural Li8Co6O14
_chemical_formula_sum "Li8 Co6 O14"
_cell_length_a 5.085458
_cell_length_b 5.13142153
_cell_length_c 10.33392417
_cell_angle_alpha 84.96672674
_cell_angle_beta 76.61225533
_cell_angle_gamma 70.4462227
_space_group_name_H-... |
MoveSelectedAtomsAction | 355638f1-38e8-4a66-8e3d-77ba1a158eaa | mp-772861 | Move atoms at indices [1, 12, 28, 18, 8, 11, 16] by [-0.583 -2.26 -0.329] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Sr8I24
_chemical_formula_sum "Ba4 Sr8 I24"
_cell_length_a 8.170479
_cell_length_b 8.170479
_cell_length_c 24.566283
_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 Ba4Sr8I24
_chemical_formula_sum "Ba4 Sr8 I24"
_cell_length_a 8.170479
_cell_length_b 8.170479
_cell_length_c 24.566283
_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... |
MoveSelectedAtomsAction | e4ae2f83-2035-44ae-92bf-b0ab4ef8df9d | mp-753328 | Move atoms at indices [1, 0, 19, 7] by [ 1.513 -1.338 -2.973] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5Mn3Co2O10
_chemical_formula_sum "Li5 Mn3 Co2 O10"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_angle_gamma 99.37397549
_space_grou... | data_image0
_chemical_formula_structural Li5Mn3Co2O10
_chemical_formula_sum "Li5 Mn3 Co2 O10"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_angle_gamma 99.37397549
_space_grou... |
MoveSelectedAtomsAction | 5c49c844-df69-45f8-8d4c-b64d41a91eb1 | mp-1207972 | Move atoms at indices [9, 17, 13, 10, 11, 8, 14, 5, 15, 12] by [-5.522 -2.429 -2.788] angstrom in the cif file. | 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... |
MoveSelectedAtomsAction | d7c7578a-a1fc-49cb-91b2-9302d9a42a26 | mp-650121 | Move atoms at indices [18, 34, 15, 23, 6, 11, 28, 8, 10, 9, 17, 13, 7, 12, 5, 1, 41, 16] by [-3.021 2.282 -2.792] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Se6O24
_chemical_formula_sum "Li12 Se6 O24"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_group_nam... | data_image0
_chemical_formula_structural Li12Se6O24
_chemical_formula_sum "Li12 Se6 O24"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_group_nam... |
MoveSelectedAtomsAction | 487179db-33e5-48c8-80aa-2156580d8fc8 | mp-13602 | Move atoms at indices [12, 35, 39, 42, 32, 11, 34, 44, 13, 9, 45, 24, 36, 43, 51, 15, 33, 50, 5, 3, 27, 17, 49, 18, 22, 20, 30] by [-0.11 3.371 2.989] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd12As8O32
_chemical_formula_sum "Cd12 As8 O32"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd12As8O32
_chemical_formula_sum "Cd12 As8 O32"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
MoveSelectedAtomsAction | c08b8481-5ecf-4eee-a9b6-1a7764759b45 | mp-1223550 | Move atoms at indices [19, 23, 9, 3] by [-0.925 -1.712 0.712] angstrom in the cif file. | data_image0
_chemical_formula_structural KP4N3O16
_chemical_formula_sum "K1 P4 N3 O16"
_cell_length_a 7.898002
_cell_length_b 7.898002
_cell_length_c 7.512958
_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 KP4N3O16
_chemical_formula_sum "K1 P4 N3 O16"
_cell_length_a 7.898002
_cell_length_b 7.898002
_cell_length_c 7.512958
_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 | 8344bd72-bdc4-49a5-8735-be4ad082b885 | mp-763659 | Move atoms at indices [0, 5, 4, 8, 9, 14, 1, 13, 10, 6, 11, 12, 2, 7] by [4.309 3.603 1.886] 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 | 7919055c-9a0c-4918-89d3-3aeac4180e0b | mp-1044237 | Move atoms at indices [27] by [-0.255 -0.332 0.081] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Ti2V2P6O24
_chemical_formula_sum "Ca2 Ti2 V2 P6 O24"
_cell_length_a 8.87059187
_cell_length_b 8.87059173
_cell_length_c 8.87059125
_cell_angle_alpha 58.46360295
_cell_angle_beta 58.46360429
_cell_angle_gamma 58.4636058
_space_gr... | data_image0
_chemical_formula_structural Ca2Ti2V2P6O24
_chemical_formula_sum "Ca2 Ti2 V2 P6 O24"
_cell_length_a 8.87059187
_cell_length_b 8.87059173
_cell_length_c 8.87059125
_cell_angle_alpha 58.46360295
_cell_angle_beta 58.46360429
_cell_angle_gamma 58.4636058
_space_gr... |
MoveSelectedAtomsAction | ae76f55f-eddf-4803-ab8c-af83172e4750 | mp-28179 | Move atoms at indices [0, 26, 27, 16, 12, 6, 8, 22, 18, 10, 3, 14, 29, 25, 15, 2, 24, 28, 13, 11, 31, 30, 20, 21, 9, 5, 17, 7, 23] by [1.943 1.89 1.041] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | db1ce1a8-027f-435d-b82d-3a8208067387 | mp-1235350 | Move atoms at indices [14, 6, 16, 19, 11, 17, 5, 15, 9, 3, 0, 21, 13, 8, 18, 7, 1, 20, 10, 4] by [-0.491 -1.342 -0.556] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4LiSe4O14
_chemical_formula_sum "Rb4 Li1 Se4 O14"
_cell_length_a 7.7815658
_cell_length_b 8.46016297
_cell_length_c 8.069522730000001
_cell_angle_alpha 93.73619673
_cell_angle_beta 86.21764356
_cell_angle_gamma 60.13418853999999
... | data_image0
_chemical_formula_structural Rb4LiSe4O14
_chemical_formula_sum "Rb4 Li1 Se4 O14"
_cell_length_a 7.7815658
_cell_length_b 8.46016297
_cell_length_c 8.069522730000001
_cell_angle_alpha 93.73619673
_cell_angle_beta 86.21764356
_cell_angle_gamma 60.13418853999999
... |
MoveSelectedAtomsAction | 0237d7ce-f1d1-4bed-9937-218d037cc944 | mp-1228441 | Move atoms at indices [19, 22, 29, 37, 18, 6, 8, 24, 20, 13, 0, 31, 7] by [-3.859 2.622 -1.394] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 6da0e568-7916-4a1d-a13d-431c8fd37eb1 | mp-1214242 | Move atoms at indices [30, 1, 19, 34, 22, 9, 4, 23, 25, 24, 35, 0, 29, 26, 39, 21, 14, 37, 11, 7, 36, 38, 31, 8, 17] by [ 0.939 4.312 -2.366] angstrom in the cif file. | data_image0
_chemical_formula_structural Be6Ag8P6Br2O24
_chemical_formula_sum "Be6 Ag8 P6 Br2 O24"
_cell_length_a 8.63032
_cell_length_b 8.63032
_cell_length_c 8.63032
_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 Be6Ag8P6Br2O24
_chemical_formula_sum "Be6 Ag8 P6 Br2 O24"
_cell_length_a 8.63032
_cell_length_b 8.63032
_cell_length_c 8.63032
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveSelectedAtomsAction | bda5ea0d-4272-4da2-9574-d97702fd07b7 | mp-1047887 | Move atoms at indices [7, 14, 19, 22, 4, 35, 30, 10, 1, 5, 33, 12, 23, 38, 34, 31, 36, 16, 18, 37, 39, 0, 20, 32, 3, 2, 29, 13] by [-0.658 -3.161 2.258] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Co6P6O26
_chemical_formula_sum "Mg2 Co6 P6 O26"
_cell_length_a 6.28561
_cell_length_b 7.520573
_cell_length_c 10.0473253
_cell_angle_alpha 79.61009721
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Mg2Co6P6O26
_chemical_formula_sum "Mg2 Co6 P6 O26"
_cell_length_a 6.28561
_cell_length_b 7.520573
_cell_length_c 10.0473253
_cell_angle_alpha 79.61009721
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 75892b22-7d58-4619-917f-9ab0c0df1673 | mp-1113640 | Move atoms at indices [4, 5, 1] by [-0.108 -1.545 0.955] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2SmAuCl6
_chemical_formula_sum "Rb2 Sm1 Au1 Cl6"
_cell_length_a 7.70197677
_cell_length_b 7.701976770000001
_cell_length_c 7.701976769999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Rb2SmAuCl6
_chemical_formula_sum "Rb2 Sm1 Au1 Cl6"
_cell_length_a 7.70197677
_cell_length_b 7.701976770000001
_cell_length_c 7.701976769999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveSelectedAtomsAction | 2d1c55c9-7618-4903-8fb8-96c40180ec04 | mp-780727 | Move atoms at indices [2, 4, 13, 11, 14] by [ 3.404 0.787 -3.726] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V3Cr2O10
_chemical_formula_sum "Li4 V3 Cr2 O10"
_cell_length_a 5.130637
_cell_length_b 5.15615823
_cell_length_c 7.84703594
_cell_angle_alpha 72.12691452000001
_cell_angle_beta 72.12246838
_cell_angle_gamma 79.78850535
_space_gr... | data_image0
_chemical_formula_structural Li4V3Cr2O10
_chemical_formula_sum "Li4 V3 Cr2 O10"
_cell_length_a 5.130637
_cell_length_b 5.15615823
_cell_length_c 7.84703594
_cell_angle_alpha 72.12691452000001
_cell_angle_beta 72.12246838
_cell_angle_gamma 79.78850535
_space_gr... |
MoveSelectedAtomsAction | 193f6aff-896b-47fe-8501-259092c0aec6 | mp-1207697 | Move atoms at indices [4, 6, 3] by [-0.259 0.788 1.493] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... | data_image0
_chemical_formula_structural Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... |
MoveSelectedAtomsAction | 691d54e2-60df-4698-8887-48449b13252a | mp-1176342 | Move atoms at indices [17, 8, 16, 27, 5, 22, 1] by [-1.244 -1.978 0.917] angstrom in the cif file. | data_image0
_chemical_formula_structural Na6V6O16
_chemical_formula_sum "Na6 V6 O16"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na6V6O16
_chemical_formula_sum "Na6 V6 O16"
_cell_length_a 5.62345902
_cell_length_b 8.89571282
_cell_length_c 8.89954048
_cell_angle_alpha 66.411656
_cell_angle_beta 71.59105578
_cell_angle_gamma 71.57284011
_space_group_name_H-M_... |
MoveSelectedAtomsAction | f75fcea6-e791-447c-8c17-3afabd2299f6 | mp-561176 | Move atoms at indices [12, 65, 49, 40, 55, 14, 42, 31, 0, 29, 38, 36, 52, 56, 60, 64, 7, 48, 16, 6, 5, 43, 26, 22, 18, 13, 28, 53, 39, 58, 27, 19, 32, 62, 11, 66, 21, 67, 15, 63, 10, 61, 4, 24, 45, 30, 33, 9, 2, 35, 25, 59, 41, 37] by [-1.156 -1.9 -1.919] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb8P4O4F52
_chemical_formula_sum "Sb8 P4 O4 F52"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb8P4O4F52
_chemical_formula_sum "Sb8 P4 O4 F52"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 49181ae2-d99d-430d-8146-b524b10f0f85 | mp-28802 | Move atoms at indices [10, 13, 12, 17, 5, 2, 15, 18, 20] by [-2.501 -1.164 1.698] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Zn3F14
_chemical_formula_sum "Sr4 Zn3 F14"
_cell_length_a 6.75415152
_cell_length_b 6.75415767
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma 119.99806076000002
_space_grou... | data_image0
_chemical_formula_structural Sr4Zn3F14
_chemical_formula_sum "Sr4 Zn3 F14"
_cell_length_a 6.75415152
_cell_length_b 6.75415767
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma 119.99806076000002
_space_grou... |
MoveSelectedAtomsAction | 332e92d6-d27e-4790-87ec-bb36fa640f79 | mp-754011 | Move atoms at indices [2, 19, 14, 3, 12, 8] by [-0.718 3.221 -0.94 ] 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 | a75e65ae-c147-4d06-9639-9f7fbfb1cd04 | mp-1227935 | Move atoms at indices [34, 49, 10, 68, 72, 24, 11, 73, 22, 7, 56, 74, 50, 69, 66, 40, 29, 37, 55, 32, 67, 5, 1, 54, 53, 15, 52, 59, 60, 61, 14, 58, 35, 43, 46, 41, 31, 19, 17, 20, 63, 16, 51, 62, 3, 8, 25, 13, 64, 45, 57, 0, 27, 30, 2, 36, 9, 18, 44, 38, 48, 70, 65, 6, 28, 42, 26, 12, 75, 21] by [-2.115 -2.343 0.732] ... | data_image0
_chemical_formula_structural Ca20Si3Ge9O44
_chemical_formula_sum "Ca20 Si3 Ge9 O44"
_cell_length_a 7.01949952
_cell_length_b 13.62135502
_cell_length_c 12.53445101
_cell_angle_alpha 64.77673551
_cell_angle_beta 92.28420985000001
_cell_angle_gamma 79.31438136
_... | data_image0
_chemical_formula_structural Ca20Si3Ge9O44
_chemical_formula_sum "Ca20 Si3 Ge9 O44"
_cell_length_a 7.01949952
_cell_length_b 13.62135502
_cell_length_c 12.53445101
_cell_angle_alpha 64.77673551
_cell_angle_beta 92.28420985000001
_cell_angle_gamma 79.31438136
_... |
MoveSelectedAtomsAction | 65c6124d-3f71-4b6d-8c23-9b58475ccd0f | mp-767140 | Move atoms at indices [18, 5, 36, 27, 0, 29, 1, 10, 4, 6, 26, 11, 17] by [ 1.886 -0.15 1.872] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn8P8O28
_chemical_formula_sum "Sn8 P8 O28"
_cell_length_a 6.986132
_cell_length_b 7.04389705
_cell_length_c 13.017652370000002
_cell_angle_alpha 83.33325966
_cell_angle_beta 89.96986367
_cell_angle_gamma 89.99300467
_space_group_n... | data_image0
_chemical_formula_structural Sn8P8O28
_chemical_formula_sum "Sn8 P8 O28"
_cell_length_a 6.986132
_cell_length_b 7.04389705
_cell_length_c 13.017652370000002
_cell_angle_alpha 83.33325966
_cell_angle_beta 89.96986367
_cell_angle_gamma 89.99300467
_space_group_n... |
MoveSelectedAtomsAction | d3c32bd6-3c83-480e-a372-5490ad218ae3 | mp-753160 | Move atoms at indices [7, 6, 0, 10, 2, 9, 8, 4, 1] by [2.268 3.647 0.834] angstrom in the cif file. | data_image0
_chemical_formula_structural Bi4O4F4
_chemical_formula_sum "Bi4 O4 F4"
_cell_length_a 3.791646
_cell_length_b 6.376568
_cell_length_c 7.388758
_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 Bi4O4F4
_chemical_formula_sum "Bi4 O4 F4"
_cell_length_a 3.791646
_cell_length_b 6.376568
_cell_length_c 7.388758
_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... |
MoveSelectedAtomsAction | 4caa6ca5-13fb-4b33-8b90-86466afc4a39 | mp-1212060 | Move atoms at indices [9, 2, 10, 28, 17, 23, 20, 12, 13, 36, 15, 22, 38] by [-4.073 -2.678 2.411] angstrom in the cif file. | data_image0
_chemical_formula_structural In4Pb8F28
_chemical_formula_sum "In4 Pb8 F28"
_cell_length_a 12.44457357
_cell_length_b 5.59001845
_cell_length_c 8.4130136
_cell_angle_alpha 89.64555741
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural In4Pb8F28
_chemical_formula_sum "In4 Pb8 F28"
_cell_length_a 12.44457357
_cell_length_b 5.59001845
_cell_length_c 8.4130136
_cell_angle_alpha 89.64555741
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | 7dc53966-83c4-4b25-98f6-d468768aa997 | mp-729907 | Move atoms at indices [36, 87, 84, 78, 20, 0, 4, 30, 38, 40, 1, 8, 57, 23, 39, 82, 60, 7, 27, 71, 62, 59, 68, 67, 69, 21, 16, 19, 13, 86, 41, 17, 3, 74, 55, 26, 11, 32, 29, 45, 73, 46, 70, 76, 14, 52, 50, 10, 51, 66, 37, 83, 64, 22, 28, 54, 61, 31, 25, 65, 24, 48, 33, 43, 58, 9, 6, 2, 44, 63, 49, 72, 35, 42, 80, 47, 81... | data_image0
_chemical_formula_structural NiH48C16S8N2O14
_chemical_formula_sum "Ni1 H48 C16 S8 N2 O14"
_cell_length_a 9.869812
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_angle_beta 109.69344817
_cell_angle_gamma ... | data_image0
_chemical_formula_structural NiH48C16S8N2O14
_chemical_formula_sum "Ni1 H48 C16 S8 N2 O14"
_cell_length_a 9.869812
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_angle_beta 109.69344817
_cell_angle_gamma ... |
MoveSelectedAtomsAction | 7654796b-7933-4098-8772-479286b1867d | mp-1208177 | Move atoms at indices [9, 7, 8, 5, 2, 4, 1, 3, 6, 0] by [ 4.593 -0.608 2.799] angstrom in the cif file. | data_image0
_chemical_formula_structural U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... | data_image0
_chemical_formula_structural U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... |
MoveSelectedAtomsAction | 82d20c08-c0d2-44a7-b26f-2e83393bd570 | mp-1213447 | Move atoms at indices [20, 10, 27, 17, 49, 58, 60, 44, 26, 42, 39, 24, 5, 50, 36, 6] by [-1.245 -0.917 1.997] angstrom in the cif file. | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma 90.... |
MoveSelectedAtomsAction | 9c9ff512-3821-4514-a4ed-8f757a67f34c | mp-1173638 | Move atoms at indices [30, 29, 19, 34, 21, 22, 1, 10, 6, 3, 9, 33, 27, 4, 5, 16, 8, 11, 32, 24, 31, 15, 0, 17, 26, 7, 18, 25, 12, 13] by [ 3.107 1.015 -0.449] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... | data_image0
_chemical_formula_structural Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... |
MoveSelectedAtomsAction | 4935dd0a-1622-4c6e-b4c2-3c7ea4b42fb2 | mp-1192446 | Move atoms at indices [14, 27, 19, 24, 23, 15, 18, 6, 4, 7, 26, 16, 0, 13, 3, 2, 22] by [ 1.057 -2.447 0.579] angstrom in the cif file. | data_image0
_chemical_formula_structural Pb4Se2N4O18
_chemical_formula_sum "Pb4 Se2 N4 O18"
_cell_length_a 5.48916173
_cell_length_b 7.2929014
_cell_length_c 10.31421434
_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 Pb4Se2N4O18
_chemical_formula_sum "Pb4 Se2 N4 O18"
_cell_length_a 5.48916173
_cell_length_b 7.2929014
_cell_length_c 10.31421434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | e2fca9d3-1a07-4780-8fc8-203819b2aef6 | mp-1200874 | Move atoms at indices [8, 2, 9] by [-3.502 -0.205 0.059] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce16Mg8Ni16
_chemical_formula_sum "Ce16 Mg8 Ni16"
_cell_length_a 7.569322
_cell_length_b 10.421412
_cell_length_c 10.424190230000002
_cell_angle_alpha 87.24409627999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ce16Mg8Ni16
_chemical_formula_sum "Ce16 Mg8 Ni16"
_cell_length_a 7.569322
_cell_length_b 10.421412
_cell_length_c 10.424190230000002
_cell_angle_alpha 87.24409627999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
MoveSelectedAtomsAction | 13d35679-31b3-45c7-819d-10c55ec9ec48 | mp-1080534 | Move atoms at indices [3, 0, 7, 9, 1, 6, 5, 2, 8, 4] by [-0.079 -2.291 -3.598] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Li3I5
_chemical_formula_sum "Cs2 Li3 I5"
_cell_length_a 4.71841827
_cell_length_b 8.73774837
_cell_length_c 10.83985247
_cell_angle_alpha 67.29995139
_cell_angle_beta 77.41023237
_cell_angle_gamma 74.39038752
_space_group_name_H... | data_image0
_chemical_formula_structural Cs2Li3I5
_chemical_formula_sum "Cs2 Li3 I5"
_cell_length_a 4.71841827
_cell_length_b 8.73774837
_cell_length_c 10.83985247
_cell_angle_alpha 67.29995139
_cell_angle_beta 77.41023237
_cell_angle_gamma 74.39038752
_space_group_name_H... |
MoveSelectedAtomsAction | f75de5f3-a3e3-41a3-9131-c97a39a4bb68 | mp-1211020 | Move atoms at indices [37, 42, 39, 51, 57, 53, 29, 24, 35, 5, 15, 66, 20, 8, 0, 17, 44, 59, 54, 56, 9, 70, 1, 67, 7, 62, 31, 69, 64, 3, 23, 52, 58, 21, 25, 65, 12, 32, 68, 22, 27, 11, 16, 45, 55, 6, 40, 43, 46, 60, 28, 48, 18, 34, 63, 61, 49, 19, 14, 50, 13, 38, 10, 47, 2, 26, 30, 36, 41, 71] by [-0.047 -0.253 -0.776] ... | data_image0
_chemical_formula_structural Li4Ga4P16O48
_chemical_formula_sum "Li4 Ga4 P16 O48"
_cell_length_a 8.383566
_cell_length_b 9.205698
_cell_length_c 12.690747
_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 Li4Ga4P16O48
_chemical_formula_sum "Li4 Ga4 P16 O48"
_cell_length_a 8.383566
_cell_length_b 9.205698
_cell_length_c 12.690747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
MoveSelectedAtomsAction | c5e6871b-032f-44a8-8b82-f653f34106dc | mp-1204112 | Move atoms at indices [44, 27, 5, 23, 26, 25, 9, 16, 35, 24] by [-2.183 1.118 -2.596] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
MoveSelectedAtomsAction | ebf2f4ac-71f2-4a59-9c5b-44f28f06d2cf | mp-1177498 | Move atoms at indices [28] by [ 0.628 0.33 -0.79 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6V4P8H4O32
_chemical_formula_sum "Li6 V4 P8 H4 O32"
_cell_length_a 9.45768122
_cell_length_b 9.39833587
_cell_length_c 7.90360836
_cell_angle_alpha 78.64358395
_cell_angle_beta 78.66118834
_cell_angle_gamma 117.71818503999998
_sp... | data_image0
_chemical_formula_structural Li6V4P8H4O32
_chemical_formula_sum "Li6 V4 P8 H4 O32"
_cell_length_a 9.45768122
_cell_length_b 9.39833587
_cell_length_c 7.90360836
_cell_angle_alpha 78.64358395
_cell_angle_beta 78.66118834
_cell_angle_gamma 117.71818503999998
_sp... |
MoveSelectedAtomsAction | 1a666b7f-b3bb-46ba-9413-9a1f73b0f9bb | mp-769928 | Move atoms at indices [8, 4, 9, 11, 1, 0, 12, 5, 7, 3, 10, 15, 6, 13] by [-0.945 -1.042 1.365] 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 | 8cfd7a82-b6fd-4314-ba7c-189d076bdc5d | mp-1192578 | Move atoms at indices [4, 3, 18, 15, 16, 23, 26, 9, 8, 7, 19, 2, 0, 24, 6, 5, 14, 25, 1, 21, 22, 17] by [ 1.922 0.135 -1.68 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Ca4USi4O16
_chemical_formula_sum "K2 Ca4 U1 Si4 O16"
_cell_length_a 6.722305
_cell_length_b 6.76571075
_cell_length_c 9.81058051
_cell_angle_alpha 98.67428088999999
_cell_angle_beta 93.17407982
_cell_angle_gamma 112.43482087999999... | data_image0
_chemical_formula_structural K2Ca4USi4O16
_chemical_formula_sum "K2 Ca4 U1 Si4 O16"
_cell_length_a 6.722305
_cell_length_b 6.76571075
_cell_length_c 9.81058051
_cell_angle_alpha 98.67428088999999
_cell_angle_beta 93.17407982
_cell_angle_gamma 112.43482087999999... |
MoveSelectedAtomsAction | fb381b96-531d-4519-bb18-581118e2f435 | mp-1029771 | Move atoms at indices [0, 10, 11, 5, 3, 6, 9] by [-1.265 1.781 3.045] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... |
MoveSelectedAtomsAction | 5d6e0028-9419-48da-897d-e3abbca5b754 | mp-765581 | Move atoms at indices [16, 2, 26, 1, 25, 18, 5, 6, 10, 8, 20, 19, 13, 0, 15, 12, 11, 14, 23, 21, 9, 27, 7, 17, 22] by [-3.467 0.237 -3.623] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8Cr4O16
_chemical_formula_sum "Mn8 Cr4 O16"
_cell_length_a 5.93782624
_cell_length_b 5.96423125
_cell_length_c 10.364558189999999
_cell_angle_alpha 75.44831521
_cell_angle_beta 74.33033313
_cell_angle_gamma 61.358565629999994
_sp... | data_image0
_chemical_formula_structural Mn8Cr4O16
_chemical_formula_sum "Mn8 Cr4 O16"
_cell_length_a 5.93782624
_cell_length_b 5.96423125
_cell_length_c 10.364558189999999
_cell_angle_alpha 75.44831521
_cell_angle_beta 74.33033313
_cell_angle_gamma 61.358565629999994
_sp... |
MoveSelectedAtomsAction | 66ff656d-df4b-48d2-a6d1-7b85f680ad17 | mp-531566 | Move atoms at indices [16, 34, 25, 70, 75, 21, 29, 74] by [-2.135 -0.915 0.296] angstrom in the cif file. | data_image0
_chemical_formula_structural La16Mn14O48
_chemical_formula_sum "La16 Mn14 O48"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
_space... | data_image0
_chemical_formula_structural La16Mn14O48
_chemical_formula_sum "La16 Mn14 O48"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
_space... |
MoveSelectedAtomsAction | 118324a5-88d1-4f8f-90d1-4f25cd27d5a1 | mp-1198143 | Move atoms at indices [9, 1, 34, 11, 3, 6, 4, 48, 32, 39, 14, 26, 0, 27, 13] by [-3.074 -1.028 3.812] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4B8H40O4
_chemical_formula_sum "Ca4 B8 H40 O4"
_cell_length_a 6.01929
_cell_length_b 8.052479
_cell_length_c 11.659561
_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 Ca4B8H40O4
_chemical_formula_sum "Ca4 B8 H40 O4"
_cell_length_a 6.01929
_cell_length_b 8.052479
_cell_length_c 11.659561
_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 | 7f150e84-ce3c-4cc5-93f4-6243df0f4197 | mp-24473 | Move atoms at indices [33, 30, 7, 11, 9] by [-2.541 3.683 -0.122] angstrom in the cif file. | data_image0
_chemical_formula_structural Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_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 Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | e6c3cab8-f66f-4510-9432-f9c2e2323774 | mp-1079383 | Move atoms at indices [6, 2, 5, 8, 9, 3] by [ 0.405 -0.546 1.341] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_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 | 13274502-ef13-4676-9f70-746feedf89e1 | mp-763831 | Move atoms at indices [18, 8, 25, 24, 17, 19, 28, 29, 3, 4, 2, 26, 6, 15, 22, 13, 7, 5, 1, 23, 14] by [ 1.702 -0.529 -5.455] angstrom in the cif file. | data_image0
_chemical_formula_structural Li16Mn2O8F4
_chemical_formula_sum "Li16 Mn2 O8 F4"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li16Mn2O8F4
_chemical_formula_sum "Li16 Mn2 O8 F4"
_cell_length_a 5.68516989
_cell_length_b 5.68516989
_cell_length_c 10.88214
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.47845378000001
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 025f48de-c7a6-4a30-8a83-62aef2002db7 | mp-1177049 | Move atoms at indices [38, 24, 36, 16, 39, 35, 14, 4, 23, 30, 27, 15, 11, 21] by [-3.88 -0.385 0.453] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Co3NiP6O24
_chemical_formula_sum "Li6 Co3 Ni1 P6 O24"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_space_gr... | data_image0
_chemical_formula_structural Li6Co3NiP6O24
_chemical_formula_sum "Li6 Co3 Ni1 P6 O24"
_cell_length_a 8.412915
_cell_length_b 8.47702918
_cell_length_c 8.50538614
_cell_angle_alpha 62.45319165
_cell_angle_beta 62.58654536
_cell_angle_gamma 62.80725303
_space_gr... |
MoveSelectedAtomsAction | 4e1fff70-fdf2-4c90-94c2-ab53fab27859 | mp-8829 | Move atoms at indices [17, 3, 14, 15, 19] by [-2.059 2.397 1.567] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr4Ga4Se12
_chemical_formula_sum "Cr4 Ga4 Se12"
_cell_length_a 3.76641143
_cell_length_b 10.26003063
_cell_length_c 12.49218408
_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 Cr4Ga4Se12
_chemical_formula_sum "Cr4 Ga4 Se12"
_cell_length_a 3.76641143
_cell_length_b 10.26003063
_cell_length_c 12.49218408
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | d141d5e4-465b-424e-b484-18928b0f431c | mp-1227095 | Move atoms at indices [10, 8, 6] by [-1.563 -1.652 1.919] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca2Pd2F8
_chemical_formula_sum "Ca2 Pd2 F8"
_cell_length_a 5.531275
_cell_length_b 5.521787
_cell_length_c 5.5594698
_cell_angle_alpha 87.76431318999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ca2Pd2F8
_chemical_formula_sum "Ca2 Pd2 F8"
_cell_length_a 5.531275
_cell_length_b 5.521787
_cell_length_c 5.5594698
_cell_angle_alpha 87.76431318999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | d649c03c-8f5b-4e50-a14d-a5684b7190a7 | mp-1212808 | Move atoms at indices [9, 4, 6] by [ 0.939 -0.062 -0.499] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy8Rh2
_chemical_formula_sum "Dy8 Rh2"
_cell_length_a 7.58914232
_cell_length_b 7.5891423200000006
_cell_length_c 7.589142319999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural Dy8Rh2
_chemical_formula_sum "Dy8 Rh2"
_cell_length_a 7.58914232
_cell_length_b 7.5891423200000006
_cell_length_c 7.589142319999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... |
MoveSelectedAtomsAction | c5be2729-83e4-4a06-8416-03c9a9ea41ec | mp-557871 | Move atoms at indices [12] by [ 1.279 -0.175 1.727] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu2As2Pb2O8
_chemical_formula_sum "Cu2 As2 Pb2 O8"
_cell_length_a 4.940538
_cell_length_b 5.93944518
_cell_length_c 8.11102464
_cell_angle_alpha 78.38046383999999
_cell_angle_beta 75.35588946
_cell_angle_gamma 84.33663671
_space_gr... | data_image0
_chemical_formula_structural Cu2As2Pb2O8
_chemical_formula_sum "Cu2 As2 Pb2 O8"
_cell_length_a 4.940538
_cell_length_b 5.93944518
_cell_length_c 8.11102464
_cell_angle_alpha 78.38046383999999
_cell_angle_beta 75.35588946
_cell_angle_gamma 84.33663671
_space_gr... |
MoveSelectedAtomsAction | 1823f884-255c-44fa-bb33-e3de4039ca49 | mp-849277 | Move atoms at indices [35, 11, 28, 10, 13, 6, 2, 29, 17, 16, 7, 23, 0, 32, 21, 5, 1, 8, 34, 33, 15, 25, 20, 3, 26, 30, 9, 14] by [-0.525 -2.842 3.894] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Cu2P6H4O20
_chemical_formula_sum "Li4 Cu2 P6 H4 O20"
_cell_length_a 7.32518
_cell_length_b 7.64629812
_cell_length_c 8.23532196
_cell_angle_alpha 71.38916824999998
_cell_angle_beta 73.79031742000001
_cell_angle_gamma 71.49767689
... | data_image0
_chemical_formula_structural Li4Cu2P6H4O20
_chemical_formula_sum "Li4 Cu2 P6 H4 O20"
_cell_length_a 7.32518
_cell_length_b 7.64629812
_cell_length_c 8.23532196
_cell_angle_alpha 71.38916824999998
_cell_angle_beta 73.79031742000001
_cell_angle_gamma 71.49767689
... |
MoveSelectedAtomsAction | 65245529-0fc6-4f8f-8f44-b5bcf1b7c249 | mp-1208371 | Move atoms at indices [21, 19, 14] by [4.168 2.382 3.399] angstrom in the cif file. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 | 9e2b6ce8-63d9-4009-bbca-22ce8bf87593 | mp-758720 | Move atoms at indices [1] by [2.091 2.064 2.048] angstrom in the cif file. | data_image0
_chemical_formula_structural Li5CuF6
_chemical_formula_sum "Li5 Cu1 F6"
_cell_length_a 5.13729529
_cell_length_b 5.13729529
_cell_length_c 5.14646913
_cell_angle_alpha 79.89385741999999
_cell_angle_beta 79.89385741999999
_cell_angle_gamma 119.62825862999999
_s... | data_image0
_chemical_formula_structural Li5CuF6
_chemical_formula_sum "Li5 Cu1 F6"
_cell_length_a 5.13729529
_cell_length_b 5.13729529
_cell_length_c 5.14646913
_cell_angle_alpha 79.89385741999999
_cell_angle_beta 79.89385741999999
_cell_angle_gamma 119.62825862999999
_s... |
MoveSelectedAtomsAction | 86956d6e-0ee2-4ff6-b0f6-f90570423ec8 | mp-1193386 | Move atoms at indices [10, 11, 9] by [-1.621 1.671 -1.933] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2Cr4Fe2O20
_chemical_formula_sum "Na2 Cr4 Fe2 O20"
_cell_length_a 7.64650728
_cell_length_b 7.646507280000001
_cell_length_c 10.72818916
_cell_angle_alpha 72.14267351
_cell_angle_beta 72.14267351
_cell_angle_gamma 42.55578317
_sp... | data_image0
_chemical_formula_structural Na2Cr4Fe2O20
_chemical_formula_sum "Na2 Cr4 Fe2 O20"
_cell_length_a 7.64650728
_cell_length_b 7.646507280000001
_cell_length_c 10.72818916
_cell_angle_alpha 72.14267351
_cell_angle_beta 72.14267351
_cell_angle_gamma 42.55578317
_sp... |
MoveSelectedAtomsAction | 3b11e476-fd1d-4063-8618-9549b00aa010 | mp-1223717 | Move atoms at indices [3, 32, 21, 39] by [ 0.458 2.339 -2.919] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... | data_image0
_chemical_formula_structural K2Al6Si6H4O24
_chemical_formula_sum "K2 Al6 Si6 H4 O24"
_cell_length_a 5.2322399
_cell_length_b 5.25214878
_cell_length_c 20.600732880000002
_cell_angle_alpha 93.12855097999999
_cell_angle_beta 83.70956984
_cell_angle_gamma 119.8746... |
MoveSelectedAtomsAction | 67ec536e-0784-4529-b682-fcde85db45bd | mp-754373 | Move atoms at indices [5, 19, 3] by [-0.158 0.675 1.443] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Fe4O12
_chemical_formula_sum "Na8 Fe4 O12"
_cell_length_a 5.55700601
_cell_length_b 6.13466597
_cell_length_c 11.146433
_cell_angle_alpha 90.00189661
_cell_angle_beta 90.00002052999999
_cell_angle_gamma 116.93787587
_space_group... | data_image0
_chemical_formula_structural Na8Fe4O12
_chemical_formula_sum "Na8 Fe4 O12"
_cell_length_a 5.55700601
_cell_length_b 6.13466597
_cell_length_c 11.146433
_cell_angle_alpha 90.00189661
_cell_angle_beta 90.00002052999999
_cell_angle_gamma 116.93787587
_space_group... |
MoveSelectedAtomsAction | 5f28cfa3-fca6-4897-8383-487194edbe12 | mp-1046426 | Move atoms at indices [19, 16, 12, 17, 21, 5, 7, 14, 22, 9, 8, 4, 1, 0, 25, 15, 11, 6, 20, 23, 3, 2, 13] by [-3.03 1.114 1.837] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr2V2Zn2P4O16
_chemical_formula_sum "Sr2 V2 Zn2 P4 O16"
_cell_length_a 5.53321927
_cell_length_b 7.043239259999999
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr2V2Zn2P4O16
_chemical_formula_sum "Sr2 V2 Zn2 P4 O16"
_cell_length_a 5.53321927
_cell_length_b 7.043239259999999
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933
_cell_angle_gamma ... |
MoveSelectedAtomsAction | a63ef60f-94e2-45d7-93c9-a12c43d43ee0 | mp-27271 | Move atoms at indices [13, 42, 34, 5, 50] by [-1.825 -0.863 1.673] angstrom in the cif file. | data_image0
_chemical_formula_structural Tl16Ge10O28
_chemical_formula_sum "Tl16 Ge10 O28"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma 38.3... | data_image0
_chemical_formula_structural Tl16Ge10O28
_chemical_formula_sum "Tl16 Ge10 O28"
_cell_length_a 14.56087425
_cell_length_b 14.560874249999998
_cell_length_c 14.56087458
_cell_angle_alpha 38.39280400999999
_cell_angle_beta 38.392804010000006
_cell_angle_gamma 38.3... |
MoveSelectedAtomsAction | f76817c7-35b7-4796-970c-193a72bee1fc | mp-762830 | Move atoms at indices [1, 26, 10, 19, 7] by [ 1.279 -0.068 -0.694] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Nb3V3O16
_chemical_formula_sum "Li4 Mn2 Nb3 V3 O16"
_cell_length_a 6.10565883
_cell_length_b 6.10565883
_cell_length_c 10.070974429999998
_cell_angle_alpha 89.93972260999999
_cell_angle_beta 89.93972260999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Li4Mn2Nb3V3O16
_chemical_formula_sum "Li4 Mn2 Nb3 V3 O16"
_cell_length_a 6.10565883
_cell_length_b 6.10565883
_cell_length_c 10.070974429999998
_cell_angle_alpha 89.93972260999999
_cell_angle_beta 89.93972260999999
_cell_angle_gamma ... |
MoveSelectedAtomsAction | ee5f022e-b155-42eb-9390-d343871bfb06 | mp-1188770 | Move atoms at indices [6, 9, 14, 11, 7, 0, 10] by [-4.334 -1.684 2.507] angstrom in the cif file. | data_image0
_chemical_formula_structural Er12Co4
_chemical_formula_sum "Er12 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_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 Er12Co4
_chemical_formula_sum "Er12 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_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... |
MoveSelectedAtomsAction | 9e03f402-5e1f-46f5-b6be-b233aeca892a | mp-1197150 | Move atoms at indices [18, 15, 35, 11, 6, 3, 17, 27, 30, 24, 21, 22, 4, 2, 8, 12, 9, 16, 19, 33, 1, 5, 13, 34, 23, 29, 31, 0, 25, 26, 20, 10, 7, 28, 14, 32] by [ 1.485 -1.2 -0.815] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Pr16Ge16
_chemical_formula_sum "Li4 Pr16 Ge16"
_cell_length_a 7.50027
_cell_length_b 8.07524
_cell_length_c 15.348187
_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 Li4Pr16Ge16
_chemical_formula_sum "Li4 Pr16 Ge16"
_cell_length_a 7.50027
_cell_length_b 8.07524
_cell_length_c 15.348187
_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 | 78f20880-f86c-4168-a333-9ed3cf6f6ef8 | mp-1078203 | Move atoms at indices [6] by [ 0.077 3.654 -0.673] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs2Tl2F6
_chemical_formula_sum "Cs2 Tl2 F6"
_cell_length_a 6.759903
_cell_length_b 6.759903
_cell_length_c 6.759903
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_g... | data_image0
_chemical_formula_structural Cs2Tl2F6
_chemical_formula_sum "Cs2 Tl2 F6"
_cell_length_a 6.759903
_cell_length_b 6.759903
_cell_length_c 6.759903
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_g... |
MoveSelectedAtomsAction | 2a1da460-1642-47ec-bbaf-90b4cbe4733a | mp-28092 | Move atoms at indices [59, 9, 84, 80, 19, 88, 58, 37, 49, 43, 81, 51, 44, 31, 89, 29, 41, 26, 20, 6, 34, 63, 13, 33, 35, 48, 1, 56, 76, 39, 14, 54, 83, 45, 7, 73, 60, 61, 71, 66, 92, 2, 85, 36, 38, 4, 15, 70, 67, 30, 42, 91, 82, 40, 3, 27, 57, 12, 74, 77, 69, 65, 10, 87, 28, 18, 72, 79, 16, 32, 5, 64, 47, 50, 93, 21, 8... | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... |
MoveSelectedAtomsAction | 3e049996-2c48-427a-8a30-f57945ed32c7 | mp-1192809 | Move atoms at indices [24, 10, 13, 8, 11, 17, 3, 20, 14, 27, 25, 15, 12, 1, 9, 7, 22, 0, 16, 2, 19, 5, 21] by [-1.971 0.551 1.111] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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 Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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... |
MoveSelectedAtomsAction | b32f0c5e-1598-43c6-98a7-334ccd8de6f2 | mp-651997 | Move atoms at indices [31, 16, 7, 8, 42, 18, 48, 9, 35, 41, 33, 34, 40, 30, 22, 12, 44, 24, 1, 28, 14, 39, 10, 23, 38, 15, 36, 21, 3, 13, 29, 6, 2, 11] by [ 1.412 -0.049 0.263] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe12Ge8O32
_chemical_formula_sum "Fe12 Ge8 O32"
_cell_length_a 8.471589
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Fe12Ge8O32
_chemical_formula_sum "Fe12 Ge8 O32"
_cell_length_a 8.471589
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
MoveSelectedAtomsAction | 026aea83-587a-4984-a1f0-d0e25083f7dd | mp-1207697 | Move atoms at indices [8, 5, 3, 6] by [-0.316 0.817 -2.346] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... | data_image0
_chemical_formula_structural Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... |
MoveSelectedAtomsAction | 344725e5-e5ce-4817-8163-7ff4a1bafa41 | mp-758762 | Move atoms at indices [35, 24, 36, 8, 4, 25, 28, 2, 12, 16, 38, 7, 26, 14, 30, 20, 23, 42, 11, 32, 29, 3, 41, 1, 6, 22, 0, 15, 34, 13, 10, 21, 19, 33, 17, 9] by [ 2.527 -1.946 0.625] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe4P8O28
_chemical_formula_sum "Li4 Fe4 P8 O28"
_cell_length_a 8.064649
_cell_length_b 4.948896
_cell_length_c 14.20387287
_cell_angle_alpha 79.33603324
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Fe4P8O28
_chemical_formula_sum "Li4 Fe4 P8 O28"
_cell_length_a 8.064649
_cell_length_b 4.948896
_cell_length_c 14.20387287
_cell_angle_alpha 79.33603324
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveSelectedAtomsAction | b303fff5-47ca-40f1-8eae-1636a3cb1b2d | mp-1236434 | Move atoms at indices [7, 9, 13, 12, 5, 2, 0, 4, 14, 11, 3, 8, 1, 10, 6, 15, 16, 17] by [-0.468 1.566 0.498] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.837192... | data_image0
_chemical_formula_structural Sr4LiMn2Cu3S4O4
_chemical_formula_sum "Sr4 Li1 Mn2 Cu3 S4 O4"
_cell_length_a 5.91148118
_cell_length_b 5.90005843
_cell_length_c 9.35569443
_cell_angle_alpha 91.18388019999999
_cell_angle_beta 71.59014073
_cell_angle_gamma 93.837192... |
MoveSelectedAtomsAction | 28f0521f-c635-45fe-8a97-d1ef15e924d0 | mp-1206879 | Move atoms at indices [6, 2, 5, 8, 0, 1, 7, 3, 9] by [1.489 0.387 2.421] angstrom in the cif file. | data_image0
_chemical_formula_structural K3AuF6
_chemical_formula_sum "K3 Au1 F6"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gro... | data_image0
_chemical_formula_structural K3AuF6
_chemical_formula_sum "K3 Au1 F6"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gro... |
MoveSelectedAtomsAction | 64eeb22d-aa2d-47de-bb20-730f68918052 | mp-1194493 | Move atoms at indices [19, 20, 22, 0, 5, 25, 11, 14, 12, 17, 8, 4] by [-1.323 -2.493 0.771] angstrom in the cif file. | data_image0
_chemical_formula_structural Pt2S4N2O18
_chemical_formula_sum "Pt2 S4 N2 O18"
_cell_length_a 7.662609
_cell_length_b 7.73074764
_cell_length_c 7.821315860000001
_cell_angle_alpha 102.54818267
_cell_angle_beta 110.26241689
_cell_angle_gamma 100.5395611
_space_g... | data_image0
_chemical_formula_structural Pt2S4N2O18
_chemical_formula_sum "Pt2 S4 N2 O18"
_cell_length_a 7.662609
_cell_length_b 7.73074764
_cell_length_c 7.821315860000001
_cell_angle_alpha 102.54818267
_cell_angle_beta 110.26241689
_cell_angle_gamma 100.5395611
_space_g... |
MoveSelectedAtomsAction | 18359c4a-1e52-4d92-9438-c147eb8e375b | mp-729187 | Move atoms at indices [77, 30, 85, 18, 37, 43, 62, 63, 78, 32, 8, 12, 31, 61, 67, 89, 4, 21, 46, 50, 19, 17, 48, 7, 70, 34, 79, 55, 9, 1, 83, 68, 91, 82, 64, 88, 24, 5, 90, 29, 51, 87, 45, 60, 86, 49, 0, 15, 75, 54, 56, 74, 22, 2, 72, 53, 81, 52, 69, 20, 71, 41, 59, 47, 28, 33, 76] by [ 0.509 2.17 -0.93 ] angstrom in... | data_image0
_chemical_formula_structural Zn8C16N64O4
_chemical_formula_sum "Zn8 C16 N64 O4"
_cell_length_a 7.115686
_cell_length_b 11.577172
_cell_length_c 22.51136357
_cell_angle_alpha 82.36418529
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zn8C16N64O4
_chemical_formula_sum "Zn8 C16 N64 O4"
_cell_length_a 7.115686
_cell_length_b 11.577172
_cell_length_c 22.51136357
_cell_angle_alpha 82.36418529
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 23e2fd93-a85b-41a0-80ee-3bfea74c76c9 | mp-3346792 | Move atoms at indices [1, 20, 12, 18, 16, 17, 5, 11, 4, 8, 2, 15, 0, 6, 14, 13, 21, 10] by [ 1.171 1.488 -3.128] angstrom in the cif file. | data_image0
_chemical_formula_structural H6C6N6O6
_chemical_formula_sum "H6 C6 N6 O6"
_cell_length_a 5.1337402
_cell_length_b 5.1337402
_cell_length_c 9.01189114
_cell_angle_alpha 89.56212464
_cell_angle_beta 89.56212464
_cell_angle_gamma 81.86642870999998
_space_group_na... | data_image0
_chemical_formula_structural H6C6N6O6
_chemical_formula_sum "H6 C6 N6 O6"
_cell_length_a 5.1337402
_cell_length_b 5.1337402
_cell_length_c 9.01189114
_cell_angle_alpha 89.56212464
_cell_angle_beta 89.56212464
_cell_angle_gamma 81.86642870999998
_space_group_na... |
MoveSelectedAtomsAction | 69afc7ee-1e66-451c-a668-ea0769b0976b | mp-1336298 | Move atoms at indices [49, 0, 54, 53, 41, 16, 46, 45, 26, 24, 48, 58, 30, 57, 27, 12, 29, 10, 7, 21, 39, 4, 32, 59, 55, 31, 3, 47, 11, 6, 22, 56, 19, 23, 38, 51, 8, 42, 9, 35, 13, 17, 18, 50, 37, 40, 1, 20, 2, 36, 44] by [ 2.878 1.708 -0.231] angstrom in the cif file. | data_image0
_chemical_formula_structural Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... | data_image0
_chemical_formula_structural Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... |
MoveSelectedAtomsAction | 5cbb6262-dfb2-43eb-b24a-e6ad086367e5 | mp-1310084 | Move atoms at indices [4, 11, 1, 5, 8, 3, 9, 2] by [-1.372 -1.985 0.461] angstrom in the cif file. | data_image0
_chemical_formula_structural Co4O2F6
_chemical_formula_sum "Co4 O2 F6"
_cell_length_a 4.71264131
_cell_length_b 4.71287246
_cell_length_c 6.20358889
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22177824999999
_space_gro... | data_image0
_chemical_formula_structural Co4O2F6
_chemical_formula_sum "Co4 O2 F6"
_cell_length_a 4.71264131
_cell_length_b 4.71287246
_cell_length_c 6.20358889
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22177824999999
_space_gro... |
MoveSelectedAtomsAction | 8a6ba442-ee21-476f-838f-9a66ad0dc473 | mp-1076076 | Move atoms at indices [7, 9, 19, 36, 18, 5, 24, 15, 3, 2, 35] by [-2.053 4.099 0.961] angstrom in the cif file. | data_image0
_chemical_formula_structural La7SmCo6Cu2O24
_chemical_formula_sum "La7 Sm1 Co6 Cu2 O24"
_cell_length_a 7.68449601
_cell_length_b 7.68449601
_cell_length_c 7.63078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.10407332999999
_space_group_nam... | data_image0
_chemical_formula_structural La7SmCo6Cu2O24
_chemical_formula_sum "La7 Sm1 Co6 Cu2 O24"
_cell_length_a 7.68449601
_cell_length_b 7.68449601
_cell_length_c 7.63078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.10407332999999
_space_group_nam... |
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