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 |
|---|---|---|---|---|---|
InsertBetweenAtomsAction | 35a4a2a0-537b-439b-9d15-7e8442229f25 | mp-1041629 | Insert a Mc atom in the line between atoms at indices 14 and 10, and the inserted atom must be 4.07 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Mg4Co8O16
_chemical_formula_sum "Mg4 Co8 O16"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 9.669462
_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 Mg4Co8O16Mc
_chemical_formula_sum "Mg4 Co8 O16 Mc1"
_cell_length_a 2.929494
_cell_length_b 9.617007
_cell_length_c 9.669462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | b803aa3b-e550-4a9b-8529-9b8b2e64f45b | mp-505267 | Insert a P atom in the line between atoms at indices 17 and 14, and the inserted atom must be 0.94 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Np4Si8Tc6
_chemical_formula_sum "Np4 Si8 Tc6"
_cell_length_a 8.09995615
_cell_length_b 5.6419647
_cell_length_c 6.806988380000001
_cell_angle_alpha 76.41346858
_cell_angle_beta 89.99931691
_cell_angle_gamma 90.00011464999999
_space... | data_image0
_chemical_formula_structural Np4Si8Tc6P
_chemical_formula_sum "Np4 Si8 Tc6 P1"
_cell_length_a 8.09995615
_cell_length_b 5.6419647
_cell_length_c 6.806988380000001
_cell_angle_alpha 76.41346858
_cell_angle_beta 89.99931691
_cell_angle_gamma 90.00011464999999
_s... |
InsertBetweenAtomsAction | 86d578c9-0ce9-4500-b042-88ed51d25091 | mp-763174 | Insert a Md atom in the line between atoms at indices 11 and 2, and the inserted atom must be 3.59 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.827165259999994
_space... | data_image0
_chemical_formula_structural Li8V4O8F4Md
_chemical_formula_sum "Li8 V4 O8 F4 Md1"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.827165259999994
... |
InsertBetweenAtomsAction | 5f833386-7def-4978-aa6b-2fca4367568d | mp-997504 | Insert a C atom in the line between atoms at indices 5 and 2, and the inserted atom must be 1.28 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Cu6O2F10
_chemical_formula_sum "Cu6 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_spac... | data_image0
_chemical_formula_structural Cu6O2F10C
_chemical_formula_sum "Cu6 O2 F10 C1"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_... |
InsertBetweenAtomsAction | b6a8f794-1eeb-4b40-90f7-5d97ac9f844b | mp-1038196 | Insert a H atom in the line between atoms at indices 6 and 52, and the inserted atom must be 2.70 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mg30NbAlO32
_chemical_formula_sum "Mg30 Nb1 Al1 O32"
_cell_length_a 8.580637
_cell_length_b 8.580637
_cell_length_c 8.583799
_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 Mg30NbAlO32H
_chemical_formula_sum "Mg30 Nb1 Al1 O32 H1"
_cell_length_a 8.580637
_cell_length_b 8.580637
_cell_length_c 8.583799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | fbfac20d-4377-4798-a128-4262d380a916 | mp-1188929 | Insert a Tc atom in the line between atoms at indices 8 and 18, and the inserted atom must be 2.98 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ti2Nb6S12
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_... | data_image0
_chemical_formula_structural Ti2Nb6S12Tc
_chemical_formula_sum "Ti2 Nb6 S12 Tc1"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_... |
InsertBetweenAtomsAction | 24ae4188-11c8-4eb5-9ff1-8269cb569737 | mp-979979 | Insert a Rh atom in the line between atoms at indices 17 and 5, and the inserted atom must be 5.73 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Sm6Sb8Au6
_chemical_formula_sum "Sm6 Sb8 Au6"
_cell_length_a 8.66406727
_cell_length_b 8.66406727
_cell_length_c 8.66406727
_cell_angle_alpha 109.47119828
_cell_angle_beta 109.47119828
_cell_angle_gamma 109.47119828
_space_group_na... | data_image0
_chemical_formula_structural Sm6Sb8Au6Rh
_chemical_formula_sum "Sm6 Sb8 Au6 Rh1"
_cell_length_a 8.66406727
_cell_length_b 8.66406727
_cell_length_c 8.66406727
_cell_angle_alpha 109.47119828
_cell_angle_beta 109.47119828
_cell_angle_gamma 109.47119828
_space_gr... |
InsertBetweenAtomsAction | a3a245c4-0de1-4ab4-807b-0bc5b962417b | mp-757411 | Insert a U atom in the line between atoms at indices 27 and 47, and the inserted atom must be 1.91 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li8Co4P8O28
_chemical_formula_sum "Li8 Co4 P8 O28"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_group_... | data_image0
_chemical_formula_structural Li8Co4P8O28U
_chemical_formula_sum "Li8 Co4 P8 O28 U1"
_cell_length_a 5.0748314
_cell_length_b 8.82301196
_cell_length_c 13.29393763
_cell_angle_alpha 108.9734952
_cell_angle_beta 91.38873768
_cell_angle_gamma 73.56502588
_space_gr... |
InsertBetweenAtomsAction | 7ab1ad72-c5e2-4d07-9f11-760d7e905689 | mp-2227274 | Insert a No atom in the line between atoms at indices 1 and 0, and the inserted atom must be 4.09 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... | data_image0
_chemical_formula_structural MgW2Br4O4No
_chemical_formula_sum "Mg1 W2 Br4 O4 No1"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.... |
InsertBetweenAtomsAction | b3994d32-1710-4e01-9227-b5868109ed8b | mp-558525 | Insert a Mg atom in the line between atoms at indices 73 and 29, and the inserted atom must be 3.52 angstrom from atom at 73 in the cif file. | data_image0
_chemical_formula_structural V16Fe8O52
_chemical_formula_sum "V16 Fe8 O52"
_cell_length_a 9.41919459
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural V16Fe8O52Mg
_chemical_formula_sum "V16 Fe8 O52 Mg1"
_cell_length_a 9.41919459
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | ab935cf1-7c48-4cdb-a9c7-833aea8927e1 | mp-2503 | Insert a Te atom in the line between atoms at indices 17 and 11, and the inserted atom must be 1.64 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Pd14Se8
_chemical_formula_sum "Pd14 Se8"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pd14Se8Te
_chemical_formula_sum "Pd14 Se8 Te1"
_cell_length_a 5.30869759
_cell_length_b 7.03737506
_cell_length_c 10.36598178
_cell_angle_alpha 90.00116383
_cell_angle_beta 89.99922099
_cell_angle_gamma 89.99989283
_space_group_nam... |
InsertBetweenAtomsAction | afea898c-9c5c-464a-b1db-17733eaee9ec | mp-1213264 | Insert a P atom in the line between atoms at indices 3 and 10, and the inserted atom must be 1.27 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Cs2Nd2Te8
_chemical_formula_sum "Cs2 Nd2 Te8"
_cell_length_a 8.09809799
_cell_length_b 8.09809799
_cell_length_c 12.352567
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Cs2Nd2Te8P
_chemical_formula_sum "Cs2 Nd2 Te8 P1"
_cell_length_a 8.09809799
_cell_length_b 8.09809799
_cell_length_c 12.352567
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | c3bb97c7-b700-4e80-b762-3b0927558b02 | mp-771174 | Insert a Li atom in the line between atoms at indices 15 and 26, and the inserted atom must be 3.25 angstrom from atom at 15 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 Ba8B8O20Li
_chemical_formula_sum "Ba8 B8 O20 Li1"
_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-... |
InsertBetweenAtomsAction | 96bb2365-cd00-4641-8378-4716879819a0 | mp-1175691 | Insert a Pb atom in the line between atoms at indices 26 and 12, and the inserted atom must be 0.52 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.30257802
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Pb
_chemical_formula_sum "Li9 Mn2 Co5 O16 Pb1"
_cell_length_a 5.076635
_cell_length_b 5.14373153
_cell_length_c 11.19616116
_cell_angle_alpha 81.30837490999998
_cell_angle_beta 86.30879534999998
_cell_angle_gamma 80.3025... |
InsertBetweenAtomsAction | 3a09d186-725d-44ba-99bc-a34ab49a3975 | mp-1029037 | Insert a Pa atom in the line between atoms at indices 3 and 11, and the inserted atom must be 2.03 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural MoW3Se2S6
_chemical_formula_sum "Mo1 W3 Se2 S6"
_cell_length_a 3.21988457
_cell_length_b 3.21988457
_cell_length_c 36.406804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001172
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural MoW3Se2S6Pa
_chemical_formula_sum "Mo1 W3 Se2 S6 Pa1"
_cell_length_a 3.21988457
_cell_length_b 3.21988457
_cell_length_c 36.406804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001172
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 8928c68f-b15d-4b08-a4ce-bf923aeaf3cd | mp-2215121 | Insert a Pa atom in the line between atoms at indices 6 and 9, and the inserted atom must be 5.47 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Co4NiO8
_chemical_formula_sum "Co4 Ni1 O8"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83364116000... | data_image0
_chemical_formula_structural Co4NiO8Pa
_chemical_formula_sum "Co4 Ni1 O8 Pa1"
_cell_length_a 5.64124235
_cell_length_b 5.628782389999999
_cell_length_c 5.80836191
_cell_angle_alpha 89.87780837999999
_cell_angle_beta 62.510251759999996
_cell_angle_gamma 59.83364... |
InsertBetweenAtomsAction | c6bcbaf5-4506-4534-9323-7293012b1624 | mp-704542 | Insert a Cn atom in the line between atoms at indices 44 and 16, and the inserted atom must be 1.68 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural Ge4W8C40Br8O40
_chemical_formula_sum "Ge4 W8 C40 Br8 O40"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge4W8C40Br8O40Cn
_chemical_formula_sum "Ge4 W8 C40 Br8 O40 Cn1"
_cell_length_a 13.319129
_cell_length_b 9.666631
_cell_length_c 15.43103654
_cell_angle_alpha 87.6518179
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | fa8ddb87-b04b-403d-8fde-b818928d4f3e | mp-1208448 | Insert a Dy atom in the line between atoms at indices 4 and 3, and the inserted atom must be 2.47 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Tb4Ga12Ag
_chemical_formula_sum "Tb4 Ga12 Ag1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_space_g... | data_image0
_chemical_formula_structural Tb4Ga12AgDy
_chemical_formula_sum "Tb4 Ga12 Ag1 Dy1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_s... |
InsertBetweenAtomsAction | 31e458ad-c4e5-4cca-893f-e551ff950416 | mp-1567262 | Insert a Rn atom in the line between atoms at indices 3 and 9, and the inserted atom must be 1.65 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... | data_image0
_chemical_formula_structural Li4Mn4Sb2O12Rn
_chemical_formula_sum "Li4 Mn4 Sb2 O12 Rn1"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835... |
InsertBetweenAtomsAction | f93e6e41-c4c6-435f-99c5-de4e2ff18b55 | mp-1176984 | Insert a Cn atom in the line between atoms at indices 75 and 73, and the inserted atom must be 2.47 angstrom from atom at 75 in the cif file. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2181397... | data_image0
_chemical_formula_structural Li12Mn2V6P12O48Cn
_chemical_formula_sum "Li12 Mn2 V6 P12 O48 Cn1"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2... |
InsertBetweenAtomsAction | 40505dac-97d3-43c1-84a4-38c887ddf15d | mp-1209476 | Insert a Xe atom in the line between atoms at indices 41 and 35, and the inserted atom must be 5.84 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural Rb8Fe8S12O48
_chemical_formula_sum "Rb8 Fe8 S12 O48"
_cell_length_a 10.261897
_cell_length_b 10.261897
_cell_length_c 10.261897
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Rb8Fe8S12O48Xe
_chemical_formula_sum "Rb8 Fe8 S12 O48 Xe1"
_cell_length_a 10.261897
_cell_length_b 10.261897
_cell_length_c 10.261897
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | b8a72f59-3765-4722-b40a-87a0c69944e3 | mp-1196193 | Insert a U atom in the line between atoms at indices 46 and 6, and the inserted atom must be 1.62 angstrom from atom at 46 in the cif file. | data_image0
_chemical_formula_structural FeSn4H24C8Se10N2
_chemical_formula_sum "Fe1 Sn4 H24 C8 Se10 N2"
_cell_length_a 11.01614547
_cell_length_b 11.01614547
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_beta 123.33029273
_cell_angle_gamma 84.32248... | data_image0
_chemical_formula_structural FeSn4H24C8Se10N2U
_chemical_formula_sum "Fe1 Sn4 H24 C8 Se10 N2 U1"
_cell_length_a 11.01614547
_cell_length_b 11.01614547
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_beta 123.33029273
_cell_angle_gamma 84.3... |
InsertBetweenAtomsAction | 00f76139-1128-401c-99c2-9ca2b0470d73 | mp-1036452 | Insert a He atom in the line between atoms at indices 0 and 3, and the inserted atom must be 2.18 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Mg14AlBiO16
_chemical_formula_sum "Mg14 Al1 Bi1 O16"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 4.378847
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mg14AlBiO16He
_chemical_formula_sum "Mg14 Al1 Bi1 O16 He1"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 4.378847
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 9e71a213-368a-4b48-aea5-0dfce5235e13 | mp-541221 | Insert a W atom in the line between atoms at indices 49 and 19, and the inserted atom must be 1.95 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... | data_image0
_chemical_formula_structural Ba6H12N12O30W
_chemical_formula_sum "Ba6 H12 N12 O30 W1"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_gr... |
InsertBetweenAtomsAction | d9e5be54-f8ad-4804-8f6e-aff9abe389a6 | mp-1223651 | Insert a Lu atom in the line between atoms at indices 4 and 9, and the inserted atom must be 6.95 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural La20Os12C13
_chemical_formula_sum "La20 Os12 C13"
_cell_length_a 15.968332
_cell_length_b 6.805853
_cell_length_c 9.18086384
_cell_angle_alpha 89.93005953000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural La20Os12C13Lu
_chemical_formula_sum "La20 Os12 C13 Lu1"
_cell_length_a 15.968332
_cell_length_b 6.805853
_cell_length_c 9.18086384
_cell_angle_alpha 89.93005953000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | d8bca7ab-e9c2-4c22-87d8-65557a5272f6 | mp-1175183 | Insert a Hf atom in the line between atoms at indices 23 and 22, and the inserted atom must be 2.41 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li14Mn8Co2O24
_chemical_formula_sum "Li14 Mn8 Co2 O24"
_cell_length_a 5.93090731
_cell_length_b 10.368841130000002
_cell_length_c 8.0209691
_cell_angle_alpha 110.1693237
_cell_angle_beta 75.24929671
_cell_angle_gamma 82.801730890000... | data_image0
_chemical_formula_structural Li14Mn8Co2O24Hf
_chemical_formula_sum "Li14 Mn8 Co2 O24 Hf1"
_cell_length_a 5.93090731
_cell_length_b 10.368841130000002
_cell_length_c 8.0209691
_cell_angle_alpha 110.1693237
_cell_angle_beta 75.24929671
_cell_angle_gamma 82.801730... |
InsertBetweenAtomsAction | 9140daee-0c39-4b8b-915a-cf6477fe4f46 | mp-678 | Insert a Cd atom in the line between atoms at indices 32 and 5, and the inserted atom must be 2.20 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... | data_image0
_chemical_formula_structural Mg54Ag17Cd
_chemical_formula_sum "Mg54 Ag17 Cd1"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_... |
InsertBetweenAtomsAction | f7e645d6-094e-4cf4-bef1-448e3551b331 | mp-1374432 | Insert a As atom in the line between atoms at indices 20 and 7, and the inserted atom must be 5.95 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Mg4Ni4As4O20
_chemical_formula_sum "Mg4 Ni4 As4 O20"
_cell_length_a 5.80487
_cell_length_b 7.48795
_cell_length_c 8.385389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Mg4Ni4As4O20As
_chemical_formula_sum "Mg4 Ni4 As5 O20"
_cell_length_a 5.80487
_cell_length_b 7.48795
_cell_length_c 8.385389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | 0b4d4165-30f9-4110-9dc4-8d55e0b2ea04 | mp-1175476 | Insert a S atom in the line between atoms at indices 15 and 0, and the inserted atom must be 7.02 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 2.98362
_cell_length_b 9.74424399
_cell_length_c 10.11371034
_cell_angle_alpha 77.44947545
_cell_angle_beta 89.18801387
_cell_angle_gamma 88.67283281
_space_group_name_H-... | data_image0
_chemical_formula_structural Li9Co7O16S
_chemical_formula_sum "Li9 Co7 O16 S1"
_cell_length_a 2.98362
_cell_length_b 9.74424399
_cell_length_c 10.11371034
_cell_angle_alpha 77.44947545
_cell_angle_beta 89.18801387
_cell_angle_gamma 88.67283281
_space_group_nam... |
InsertBetweenAtomsAction | 66e0ac1e-5819-437d-8b13-ae82a2011ce9 | mp-1043960 | Insert a Sc atom in the line between atoms at indices 15 and 2, and the inserted atom must be 2.81 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Mg4Ti4P8O28
_chemical_formula_sum "Mg4 Ti4 P8 O28"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg4Ti4P8O28Sc
_chemical_formula_sum "Mg4 Ti4 P8 O28 Sc1"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 00853f9d-8e7f-4ed6-8340-86387d3c404a | mp-2223123 | Insert a Re atom in the line between atoms at indices 3 and 4, and the inserted atom must be 5.60 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_spa... | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2Re
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2 Re1"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002... |
InsertBetweenAtomsAction | c38f47d1-b7c8-497b-b8cf-3cd835bbd068 | mp-1246526 | Insert a Li atom in the line between atoms at indices 15 and 12, and the inserted atom must be 1.80 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Sr6Ru4N8
_chemical_formula_sum "Sr6 Ru4 N8"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space_group_... | data_image0
_chemical_formula_structural Sr6Ru4N8Li
_chemical_formula_sum "Sr6 Ru4 N8 Li1"
_cell_length_a 7.27355484
_cell_length_b 8.99379695
_cell_length_c 5.64860678
_cell_angle_alpha 89.99999669
_cell_angle_beta 92.33764056
_cell_angle_gamma 128.18868448999999
_space_... |
InsertBetweenAtomsAction | d4f50669-90e8-4bde-9df2-5aed22a7c77d | mp-684709 | Insert a Rg atom in the line between atoms at indices 29 and 33, and the inserted atom must be 2.22 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural K6B34
_chemical_formula_sum "K6 B34"
_cell_length_a 13.30794988
_cell_length_b 13.30794988
_cell_length_c 13.307949880000002
_cell_angle_alpha 153.92748815
_cell_angle_beta 153.92748815
_cell_angle_gamma 37.20500753999999
_space_gr... | data_image0
_chemical_formula_structural K6B34Rg
_chemical_formula_sum "K6 B34 Rg1"
_cell_length_a 13.30794988
_cell_length_b 13.30794988
_cell_length_c 13.307949880000002
_cell_angle_alpha 153.92748815
_cell_angle_beta 153.92748815
_cell_angle_gamma 37.20500753999999
_sp... |
InsertBetweenAtomsAction | 4a995f4e-9133-4e0d-ae8f-a9fd668a82d4 | mp-1026735 | Insert a Ds atom in the line between atoms at indices 15 and 5, and the inserted atom must be 2.25 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural CeMg14Sb
_chemical_formula_sum "Ce1 Mg14 Sb1"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 10.55270559
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural CeMg14SbDs
_chemical_formula_sum "Ce1 Mg14 Sb1 Ds1"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 10.55270559
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_name_... |
InsertBetweenAtomsAction | 4af397bb-d9d4-48a6-bdba-56a749c5a130 | mp-18112 | Insert a Ir atom in the line between atoms at indices 27 and 23, and the inserted atom must be 1.82 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Sr8Ge8Se20
_chemical_formula_sum "Sr8 Ge8 Se20"
_cell_length_a 12.39348995
_cell_length_b 8.52535437
_cell_length_c 12.20324559
_cell_angle_alpha 49.38111077999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sr8Ge8Se20Ir
_chemical_formula_sum "Sr8 Ge8 Se20 Ir1"
_cell_length_a 12.39348995
_cell_length_b 8.52535437
_cell_length_c 12.20324559
_cell_angle_alpha 49.38111077999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 9900f938-b88d-49c2-b941-28567fcc3322 | mp-1110899 | Insert a F atom in the line between atoms at indices 8 and 0, and the inserted atom must be 0.65 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural K2LiSbBr6F
_chemical_formula_sum "K2 Li1 Sb1 Br6 F1"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99... |
InsertBetweenAtomsAction | 24d363fb-b096-4fda-a84c-0dc169ca57db | mp-559286 | Insert a S atom in the line between atoms at indices 26 and 6, and the inserted atom must be 4.07 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Na8Al6Ge6Cl2O24
_chemical_formula_sum "Na8 Al6 Ge6 Cl2 O24"
_cell_length_a 9.141085
_cell_length_b 9.141085
_cell_length_c 9.141085
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na8Al6Ge6Cl2O24S
_chemical_formula_sum "Na8 Al6 Ge6 Cl2 O24 S1"
_cell_length_a 9.141085
_cell_length_b 9.141085
_cell_length_c 9.141085
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | ce5c2291-acd4-4683-a1bd-985c0d9932c7 | mp-13456 | Insert a Lr atom in the line between atoms at indices 6 and 9, and the inserted atom must be 13.68 angstrom from atom at 6 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 Zn5S5Lr
_chemical_formula_sum "Zn5 S5 Lr1"
_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 13.9084016... |
InsertBetweenAtomsAction | e8dbc74f-0a8f-4c31-b20a-c8693eb7b435 | mp-778743 | Insert a Lv atom in the line between atoms at indices 7 and 2, and the inserted atom must be 1.66 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li10Cu2P4O16
_chemical_formula_sum "Li10 Cu2 P4 O16"
_cell_length_a 6.154576
_cell_length_b 5.383631
_cell_length_c 9.98142734
_cell_angle_alpha 89.89632549
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li10Cu2P4O16Lv
_chemical_formula_sum "Li10 Cu2 P4 O16 Lv1"
_cell_length_a 6.154576
_cell_length_b 5.383631
_cell_length_c 9.98142734
_cell_angle_alpha 89.89632549
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 8e007f78-a638-4396-8f31-ffcd770adc80 | mp-11321 | Insert a Cd atom in the line between atoms at indices 1 and 7, and the inserted atom must be 2.08 angstrom from atom at 1 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 Y6Ta2O14Cd
_chemical_formula_sum "Y6 Ta2 O14 Cd1"
_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-... |
InsertBetweenAtomsAction | 21447690-bba4-4294-b1af-4e5e0ded8ee7 | mp-36383 | Insert a Sm atom in the line between atoms at indices 7 and 10, and the inserted atom must be 2.22 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ag3P2O8
_chemical_formula_sum "Ag3 P2 O8"
_cell_length_a 5.77171001
_cell_length_b 5.77170928
_cell_length_c 5.77171041
_cell_angle_alpha 83.23631156000002
_cell_angle_beta 83.23630576999999
_cell_angle_gamma 83.23629968
_space_gro... | data_image0
_chemical_formula_structural Ag3P2O8Sm
_chemical_formula_sum "Ag3 P2 O8 Sm1"
_cell_length_a 5.77171001
_cell_length_b 5.77170928
_cell_length_c 5.77171041
_cell_angle_alpha 83.23631156000002
_cell_angle_beta 83.23630576999999
_cell_angle_gamma 83.23629968
_spa... |
InsertBetweenAtomsAction | c83b5b2a-7e3b-4e48-9dc4-f99023cc0bab | mp-1218449 | Insert a Po atom in the line between atoms at indices 11 and 4, and the inserted atom must be 1.64 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12Po
_chemical_formula_sum "Sr2 Ca6 Ir2 O12 Po1"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_gr... |
InsertBetweenAtomsAction | 26b0074a-fff6-4168-9da6-b67fbc864da2 | mp-1246897 | Insert a Ir atom in the line between atoms at indices 5 and 1, and the inserted atom must be 2.44 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural LuMg2Mn3S8
_chemical_formula_sum "Lu1 Mg2 Mn3 S8"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_space_g... | data_image0
_chemical_formula_structural LuMg2Mn3S8Ir
_chemical_formula_sum "Lu1 Mg2 Mn3 S8 Ir1"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_s... |
InsertBetweenAtomsAction | b0ea8ff7-5bc3-4112-a7fc-db0f17b59119 | mp-1522056 | Insert a W atom in the line between atoms at indices 7 and 3, and the inserted atom must be 4.06 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural CaEuTiSnO6
_chemical_formula_sum "Ca1 Eu1 Ti1 Sn1 O6"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000000001... | data_image0
_chemical_formula_structural CaEuTiSnO6W
_chemical_formula_sum "Ca1 Eu1 Ti1 Sn1 O6 W1"
_cell_length_a 5.661041
_cell_length_b 5.661041
_cell_length_c 5.661041
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.0000000000... |
InsertBetweenAtomsAction | c4284d26-1275-407b-b6c1-4da2e9f34970 | mp-777349 | Insert a N atom in the line between atoms at indices 3 and 13, and the inserted atom must be 3.58 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... | data_image0
_chemical_formula_structural Mn6O6F6N
_chemical_formula_sum "Mn6 O6 F6 N1"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_... |
InsertBetweenAtomsAction | ef6c5fbb-10b4-479d-9362-5ca1f922ec46 | mp-694554 | Insert a Kr atom in the line between atoms at indices 10 and 39, and the inserted atom must be 1.10 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn6P8O28Kr
_chemical_formula_sum "Mn6 P8 O28 Kr1"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 9a5ca889-82ab-4c56-b283-99a99471aad4 | mp-697807 | Insert a Lr atom in the line between atoms at indices 40 and 41, and the inserted atom must be 2.01 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Li2Mn8P14O48
_chemical_formula_sum "Li2 Mn8 P14 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 105.6353... | data_image0
_chemical_formula_structural Li2Mn8P14O48Lr
_chemical_formula_sum "Li2 Mn8 P14 O48 Lr1"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 10... |
InsertBetweenAtomsAction | 5ef6ce3e-ea2a-4454-be56-88ff5d23e60b | mp-676665 | Insert a Nb atom in the line between atoms at indices 19 and 14, and the inserted atom must be 0.56 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma 70.07... | data_image0
_chemical_formula_structural Ba8Ta4Ti2Zn2O24Nb
_chemical_formula_sum "Ba8 Ta4 Ti2 Zn2 O24 Nb1"
_cell_length_a 10.10342246
_cell_length_b 10.103422459999999
_cell_length_c 10.10342246
_cell_angle_alpha 132.09728127
_cell_angle_beta 132.09728127
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 9fb1678c-4fe5-4327-9473-63ca0e4c6e82 | mp-2240405 | Insert a Mg atom in the line between atoms at indices 6 and 0, and the inserted atom must be 0.84 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural MgMn2Ag2O6
_chemical_formula_sum "Mg1 Mn2 Ag2 O6"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_space... | data_image0
_chemical_formula_structural MgMn2Ag2O6Mg
_chemical_formula_sum "Mg2 Mn2 Ag2 O6"
_cell_length_a 5.30224908
_cell_length_b 6.05280598
_cell_length_c 5.30275531
_cell_angle_alpha 115.98650708
_cell_angle_beta 59.99373689000001
_cell_angle_gamma 115.99553636
_spa... |
InsertBetweenAtomsAction | 7d9bc5b4-1a37-4cf8-973b-c24d512cd970 | mp-573073 | Insert a Ar atom in the line between atoms at indices 48 and 50, and the inserted atom must be 4.27 angstrom from atom at 48 in the cif file. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs14Cu12F38Ar
_chemical_formula_sum "Cs14 Cu12 F38 Ar1"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
InsertBetweenAtomsAction | f40de3c0-f254-4618-b5eb-49260aca75ce | mp-1217186 | Insert a W atom in the line between atoms at indices 0 and 6, and the inserted atom must be 9.63 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti3Sn5S12W
_chemical_formula_sum "Ti3 Sn5 S12 W1"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 1b11bd38-c627-446f-a19c-395b3230c546 | mp-1033422 | Insert a Y atom in the line between atoms at indices 6 and 2, and the inserted atom must be 1.20 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural BaMg6CO8
_chemical_formula_sum "Ba1 Mg6 C1 O8"
_cell_length_a 8.66532636
_cell_length_b 4.6564749
_cell_length_c 4.6564749
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural BaMg6CO8Y
_chemical_formula_sum "Ba1 Mg6 C1 O8 Y1"
_cell_length_a 8.66532636
_cell_length_b 4.6564749
_cell_length_c 4.6564749
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | fb19e12c-004e-4938-a34f-652f2752083f | mp-760055 | Insert a F atom in the line between atoms at indices 22 and 34, and the inserted atom must be 2.77 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Li3Mn3V3P6H6O30
_chemical_formula_sum "Li3 Mn3 V3 P6 H6 O30"
_cell_length_a 7.44397993
_cell_length_b 11.32063412
_cell_length_c 6.794345970000001
_cell_angle_alpha 73.04739999000002
_cell_angle_beta 88.85579793
_cell_angle_gamma 81... | data_image0
_chemical_formula_structural Li3Mn3V3P6H6O30F
_chemical_formula_sum "Li3 Mn3 V3 P6 H6 O30 F1"
_cell_length_a 7.44397993
_cell_length_b 11.32063412
_cell_length_c 6.794345970000001
_cell_angle_alpha 73.04739999000002
_cell_angle_beta 88.85579793
_cell_angle_gamma ... |
InsertBetweenAtomsAction | cd2d20db-d357-4864-be43-392fe3df5dd9 | mp-1174755 | Insert a Cd atom in the line between atoms at indices 12 and 25, and the inserted atom must be 0.86 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... | data_image0
_chemical_formula_structural Li8Mn2Co4O14Cd
_chemical_formula_sum "Li8 Mn2 Co4 O14 Cd1"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
... |
InsertBetweenAtomsAction | e9b7aeb5-51db-46c6-ab32-438ae891cb39 | mp-1213037 | Insert a Mo atom in the line between atoms at indices 8 and 10, and the inserted atom must be 6.39 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural K4Li4As4
_chemical_formula_sum "K4 Li4 As4"
_cell_length_a 4.311587
_cell_length_b 12.867966
_cell_length_c 14.594449
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural K4Li4As4Mo
_chemical_formula_sum "K4 Li4 As4 Mo1"
_cell_length_a 4.311587
_cell_length_b 12.867966
_cell_length_c 14.594449
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | 4420c91f-c2e7-4c98-8e0d-ef09b7c72a31 | mp-2241517 | Insert a Nd atom in the line between atoms at indices 10 and 12, and the inserted atom must be 1.24 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural MgTlV4O10
_chemical_formula_sum "Mg1 Tl1 V4 O10"
_cell_length_a 3.80973867
_cell_length_b 6.39254685
_cell_length_c 10.30154824
_cell_angle_alpha 99.21036911
_cell_angle_beta 90.08400635
_cell_angle_gamma 107.31590398
_space_group_... | data_image0
_chemical_formula_structural MgTlV4O10Nd
_chemical_formula_sum "Mg1 Tl1 V4 O10 Nd1"
_cell_length_a 3.80973867
_cell_length_b 6.39254685
_cell_length_c 10.30154824
_cell_angle_alpha 99.21036911
_cell_angle_beta 90.08400635
_cell_angle_gamma 107.31590398
_space_... |
InsertBetweenAtomsAction | 43e7b958-f7d9-4d37-9d79-7f4dd1782652 | mp-1200624 | Insert a La atom in the line between atoms at indices 38 and 32, and the inserted atom must be 2.29 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural K4V6P8O40
_chemical_formula_sum "K4 V6 P8 O40"
_cell_length_a 6.274862
_cell_length_b 11.23261801
_cell_length_c 12.8555442
_cell_angle_alpha 106.62234945
_cell_angle_beta 103.09919050000002
_cell_angle_gamma 95.97454928
_space_gro... | data_image0
_chemical_formula_structural K4V6P8O40La
_chemical_formula_sum "K4 V6 P8 O40 La1"
_cell_length_a 6.274862
_cell_length_b 11.23261801
_cell_length_c 12.8555442
_cell_angle_alpha 106.62234945
_cell_angle_beta 103.09919050000002
_cell_angle_gamma 95.97454928
_spa... |
InsertBetweenAtomsAction | 10e230ea-6dfa-4f39-8420-3fd9d60cbc68 | mp-2240560 | Insert a Cu atom in the line between atoms at indices 9 and 5, and the inserted atom must be 0.89 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgTiCo2O6Cu
_chemical_formula_sum "Mg1 Ti1 Co2 O6 Cu1"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44... |
InsertBetweenAtomsAction | e3b3ad48-8c73-4b7e-a29d-cd9872bdabd8 | mp-1213576 | Insert a Np atom in the line between atoms at indices 3 and 5, and the inserted atom must be 2.77 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12Np
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12 Np1"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_an... |
InsertBetweenAtomsAction | 2a40af65-04e7-48e8-b3cf-1ee804a033b3 | mp-862656 | Insert a Ta atom in the line between atoms at indices 15 and 10, and the inserted atom must be 2.77 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Er5Al15
_chemical_formula_sum "Er5 Al15"
_cell_length_a 12.36137364
_cell_length_b 12.36137364
_cell_length_c 12.36137266
_cell_angle_alpha 28.216417780000004
_cell_angle_beta 28.216417780000004
_cell_angle_gamma 28.21641792
_space... | data_image0
_chemical_formula_structural Er5Al15Ta
_chemical_formula_sum "Er5 Al15 Ta1"
_cell_length_a 12.36137364
_cell_length_b 12.36137364
_cell_length_c 12.36137266
_cell_angle_alpha 28.216417780000004
_cell_angle_beta 28.216417780000004
_cell_angle_gamma 28.21641792
... |
InsertBetweenAtomsAction | aadeb4fd-2df9-4805-8260-e4bae2f65dcf | mp-1304002 | Insert a Pd atom in the line between atoms at indices 23 and 15, and the inserted atom must be 1.13 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2O16Pd
_chemical_formula_sum "Li8 Ni6 Bi2 O16 Pd1"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
... |
InsertBetweenAtomsAction | ced004fd-f5da-4902-895f-1cb69b15a01b | mp-1520242 | Insert a Mg atom in the line between atoms at indices 3 and 4, and the inserted atom must be 0.73 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural BaNaPrSeO6
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural BaNaPrSeO6Mg
_chemical_formula_sum "Ba1 Na1 Pr1 Se1 O6 Mg1"
_cell_length_a 5.89468683
_cell_length_b 5.89468683
_cell_length_c 5.89468683
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99... |
InsertBetweenAtomsAction | f20ea9b2-4ebf-49a2-a38e-23b94d249337 | mp-1200098 | Insert a Rh atom in the line between atoms at indices 43 and 19, and the inserted atom must be 11.33 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural Ir4W4N20Cl4O16
_chemical_formula_sum "Ir4 W4 N20 Cl4 O16"
_cell_length_a 8.99499
_cell_length_b 9.214026
_cell_length_c 12.273695
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ir4W4N20Cl4O16Rh
_chemical_formula_sum "Ir4 W4 N20 Cl4 O16 Rh1"
_cell_length_a 8.99499
_cell_length_b 9.214026
_cell_length_c 12.273695
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | f180901e-a56f-439c-9c90-c06fa27f9600 | mp-23083 | Insert a Mn atom in the line between atoms at indices 4 and 7, and the inserted atom must be 2.01 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural KAs4BrO6
_chemical_formula_sum "K1 As4 Br1 O6"
_cell_length_a 5.34714576
_cell_length_b 5.34714576
_cell_length_c 9.23111
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999706999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural KAs4BrO6Mn
_chemical_formula_sum "K1 As4 Br1 O6 Mn1"
_cell_length_a 5.34714576
_cell_length_b 5.34714576
_cell_length_c 9.23111
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999706999999
_space_group_name_H-M... |
InsertBetweenAtomsAction | 58610b1e-eda2-40e7-8983-e22ef5e55c8c | mp-753980 | Insert a Es atom in the line between atoms at indices 15 and 1, and the inserted atom must be 2.71 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2TeWO12
_chemical_formula_sum "Li4 Mn2 Te1 W1 O12"
_cell_length_a 5.32417188
_cell_length_b 10.649467770000001
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gamma 57.026... | data_image0
_chemical_formula_structural Li4Mn2TeWO12Es
_chemical_formula_sum "Li4 Mn2 Te1 W1 O12 Es1"
_cell_length_a 5.32417188
_cell_length_b 10.649467770000001
_cell_length_c 9.35588624
_cell_angle_alpha 28.504502290000026
_cell_angle_beta 51.72611864
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 886c28dd-6717-4b5b-8771-ac2c6588ff30 | mp-759181 | Insert a Zr atom in the line between atoms at indices 47 and 26, and the inserted atom must be 3.35 angstrom from atom at 47 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4P12O36
_chemical_formula_sum "Li4 Mn4 P12 O36"
_cell_length_a 5.393716
_cell_length_b 10.304873
_cell_length_c 11.742108
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Li4Mn4P12O36Zr
_chemical_formula_sum "Li4 Mn4 P12 O36 Zr1"
_cell_length_a 5.393716
_cell_length_b 10.304873
_cell_length_c 11.742108
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | bff1692f-9049-4b92-a1a6-2227b9b3c53d | mp-1173106 | Insert a Li atom in the line between atoms at indices 3 and 16, and the inserted atom must be 1.91 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Tb8Cu3Te16
_chemical_formula_sum "Tb8 Cu3 Te16"
_cell_length_a 12.54590591
_cell_length_b 9.86348697
_cell_length_c 8.132721389999999
_cell_angle_alpha 90.14494182
_cell_angle_beta 90.25875977
_cell_angle_gamma 50.522835230000005
_... | data_image0
_chemical_formula_structural Tb8Cu3Te16Li
_chemical_formula_sum "Tb8 Cu3 Te16 Li1"
_cell_length_a 12.54590591
_cell_length_b 9.86348697
_cell_length_c 8.132721389999999
_cell_angle_alpha 90.14494182
_cell_angle_beta 90.25875977
_cell_angle_gamma 50.522835230000... |
InsertBetweenAtomsAction | dfa3b785-b2b9-4925-bc04-48364a68848d | mp-1931800 | Insert a Pm atom in the line between atoms at indices 18 and 42, and the inserted atom must be 2.17 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Mn13Si2Sb2O28
_chemical_formula_sum "Mn13 Si2 Sb2 O28"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803492
_s... | data_image0
_chemical_formula_structural Mn13Si2Sb2O28Pm
_chemical_formula_sum "Mn13 Si2 Sb2 O28 Pm1"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.008034... |
InsertBetweenAtomsAction | 617d2c46-c22e-4054-9f7f-f3ce441ae303 | mp-680561 | Insert a La atom in the line between atoms at indices 0 and 12, and the inserted atom must be 0.66 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural U10Re6C16
_chemical_formula_sum "U10 Re6 C16"
_cell_length_a 11.40374963
_cell_length_b 11.40374963
_cell_length_c 3.28600681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural U10Re6C16La
_chemical_formula_sum "U10 Re6 C16 La1"
_cell_length_a 11.40374963
_cell_length_b 11.40374963
_cell_length_c 3.28600681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | d8330046-9bcb-4c70-a35a-4fefdeb3211b | mp-1233814 | Insert a Pu atom in the line between atoms at indices 15 and 25, and the inserted atom must be 1.25 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural MgCr8P4O20
_chemical_formula_sum "Mg1 Cr8 P4 O20"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgCr8P4O20Pu
_chemical_formula_sum "Mg1 Cr8 P4 O20 Pu1"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 1de253b1-47e9-4ea3-bfa4-9540eb87e3f3 | mp-758465 | Insert a Ho atom in the line between atoms at indices 24 and 15, and the inserted atom must be 3.25 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Li8Fe4Si4O16
_chemical_formula_sum "Li8 Fe4 Si4 O16"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li8Fe4Si4O16Ho
_chemical_formula_sum "Li8 Fe4 Si4 O16 Ho1"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | c1ed83c8-fc02-4753-bf91-fd7fb79bc2ab | mp-25285 | Insert a Cs atom in the line between atoms at indices 11 and 0, and the inserted atom must be 2.38 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Mn4Ni2O12
_chemical_formula_sum "Mn4 Ni2 O12"
_cell_length_a 5.01128075
_cell_length_b 5.01128075
_cell_length_c 10.013213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.047743
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mn4Ni2O12Cs
_chemical_formula_sum "Mn4 Ni2 O12 Cs1"
_cell_length_a 5.01128075
_cell_length_b 5.01128075
_cell_length_c 10.013213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.047743
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | f67e2e2b-1750-4ebf-95db-b8152f803586 | mp-1191005 | Insert a Cu atom in the line between atoms at indices 10 and 1, and the inserted atom must be 4.77 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural La2Br6O14
_chemical_formula_sum "La2 Br6 O14"
_cell_length_a 6.957924
_cell_length_b 7.62667087
_cell_length_c 7.97220483
_cell_angle_alpha 83.96742581
_cell_angle_beta 74.98027024000001
_cell_angle_gamma 89.21936135000001
_space_g... | data_image0
_chemical_formula_structural La2Br6O14Cu
_chemical_formula_sum "La2 Br6 O14 Cu1"
_cell_length_a 6.957924
_cell_length_b 7.62667087
_cell_length_c 7.97220483
_cell_angle_alpha 83.96742581
_cell_angle_beta 74.98027024000001
_cell_angle_gamma 89.21936135000001
_s... |
InsertBetweenAtomsAction | 50016270-892f-429f-b2dc-f4d81a58ca8e | mp-26228 | Insert a Se atom in the line between atoms at indices 32 and 26, and the inserted atom must be 6.60 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... | data_image0
_chemical_formula_structural V4P8O28Se
_chemical_formula_sum "V4 P8 O28 Se1"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.383096... |
InsertBetweenAtomsAction | 8ef21c72-fd10-496a-9955-25c0a3deeea5 | mp-626835 | Insert a Tm atom in the line between atoms at indices 7 and 24, and the inserted atom must be 0.82 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural H16Pt2O12
_chemical_formula_sum "H16 Pt2 O12"
_cell_length_a 5.611497
_cell_length_b 5.72181583
_cell_length_c 7.35410691
_cell_angle_alpha 87.23899783
_cell_angle_beta 88.42011408
_cell_angle_gamma 81.50605689
_space_group_name_H-... | data_image0
_chemical_formula_structural H16Pt2O12Tm
_chemical_formula_sum "H16 Pt2 O12 Tm1"
_cell_length_a 5.611497
_cell_length_b 5.72181583
_cell_length_c 7.35410691
_cell_angle_alpha 87.23899783
_cell_angle_beta 88.42011408
_cell_angle_gamma 81.50605689
_space_group_n... |
InsertBetweenAtomsAction | 6637cd76-1da8-4921-acc6-04eda67a19f7 | mp-1034441 | Insert a Th atom in the line between atoms at indices 18 and 11, and the inserted atom must be 1.24 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mg14CrSnO16Th
_chemical_formula_sum "Mg14 Cr1 Sn1 O16 Th1"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 83cf895f-2691-4ad3-b720-baadd566e115 | mp-1178408 | Insert a Pa atom in the line between atoms at indices 6 and 11, and the inserted atom must be 0.48 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs8Hf4O12Pa
_chemical_formula_sum "Cs8 Hf4 O12 Pa1"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_... |
InsertBetweenAtomsAction | ebeff4a1-b987-4d43-983f-4b78ecc24e3a | mp-1207705 | Insert a Re atom in the line between atoms at indices 15 and 11, and the inserted atom must be 0.72 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Tm4Rh4O12
_chemical_formula_sum "Tm4 Rh4 O12"
_cell_length_a 5.17444652
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Tm4Rh4O12Re
_chemical_formula_sum "Tm4 Rh4 O12 Re1"
_cell_length_a 5.17444652
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 96dc2986-1294-42c2-b8f4-e432988b7078 | mp-1215346 | Insert a Og atom in the line between atoms at indices 9 and 4, and the inserted atom must be 2.93 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr4Al4Cr4Og
_chemical_formula_sum "Zr4 Al4 Cr4 Og1"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M... |
InsertBetweenAtomsAction | 31c403c2-bce7-4071-ac8c-596e3e143044 | mp-614981 | Insert a Es atom in the line between atoms at indices 4 and 7, and the inserted atom must be 2.22 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ba2NdCu3O6
_chemical_formula_sum "Ba2 Nd1 Cu3 O6"
_cell_length_a 3.925227
_cell_length_b 3.925227
_cell_length_c 12.14195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba2NdCu3O6Es
_chemical_formula_sum "Ba2 Nd1 Cu3 O6 Es1"
_cell_length_a 3.925227
_cell_length_b 3.925227
_cell_length_c 12.14195
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | fe1a48b3-8207-4993-8300-2f22e03519b3 | mp-1205450 | Insert a Th atom in the line between atoms at indices 11 and 14, and the inserted atom must be 7.22 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Pu8Se12
_chemical_formula_sum "Pu8 Se12"
_cell_length_a 11.30759145
_cell_length_b 4.10033936
_cell_length_c 11.20312826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Pu8Se12Th
_chemical_formula_sum "Pu8 Se12 Th1"
_cell_length_a 11.30759145
_cell_length_b 4.10033936
_cell_length_c 11.20312826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | f9546111-9deb-4f11-9ea0-49d71100ad65 | mp-1106129 | Insert a Se atom in the line between atoms at indices 9 and 12, and the inserted atom must be 3.24 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Bi4Te2Br2O9
_chemical_formula_sum "Bi4 Te2 Br2 O9"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Bi4Te2Br2O9Se
_chemical_formula_sum "Bi4 Te2 Br2 O9 Se1"
_cell_length_a 5.570488
_cell_length_b 5.570488
_cell_length_c 9.816977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 6fdf8979-2186-4bbe-95d2-16be559781bd | mp-625819 | Insert a Am atom in the line between atoms at indices 3 and 10, and the inserted atom must be 1.43 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural H32N8O4
_chemical_formula_sum "H32 N8 O4"
_cell_length_a 9.055844
_cell_length_b 4.428801
_cell_length_c 10.73228277
_cell_angle_alpha 69.28359116
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural H32N8O4Am
_chemical_formula_sum "H32 N8 O4 Am1"
_cell_length_a 9.055844
_cell_length_b 4.428801
_cell_length_c 10.73228277
_cell_angle_alpha 69.28359116
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 178dcfe4-7fa3-4c8d-8e83-6754c99d9908 | mp-30210 | Insert a Cd atom in the line between atoms at indices 6 and 15, and the inserted atom must be 1.52 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural La10Sn6Cl2
_chemical_formula_sum "La10 Sn6 Cl2"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
_space_gr... | data_image0
_chemical_formula_structural La10Sn6Cl2Cd
_chemical_formula_sum "La10 Sn6 Cl2 Cd1"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
_sp... |
InsertBetweenAtomsAction | fa86dfa8-30ae-4ffa-b9d4-069232f468f3 | mp-758053 | Insert a Tm atom in the line between atoms at indices 5 and 9, and the inserted atom must be 4.39 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Nb2Cr2O8
_chemical_formula_sum "Nb2 Cr2 O8"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space_group... | data_image0
_chemical_formula_structural Nb2Cr2O8Tm
_chemical_formula_sum "Nb2 Cr2 O8 Tm1"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space... |
InsertBetweenAtomsAction | f2ff9e3a-63a1-4c47-a4c4-9931c2043e57 | mp-630329 | Insert a B atom in the line between atoms at indices 25 and 5, and the inserted atom must be 5.75 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Pb8Se8O24
_chemical_formula_sum "Pb8 Se8 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb8Se8O24B
_chemical_formula_sum "Pb8 Se8 O24 B1"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | c3191656-3ca1-41ef-a004-dc043672f77e | mp-1110620 | Insert a Ir atom in the line between atoms at indices 5 and 2, and the inserted atom must be 0.83 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural Na2TlCoF6Ir
_chemical_formula_sum "Na2 Tl1 Co1 F6 Ir1"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958... |
InsertBetweenAtomsAction | 3275943d-e994-4028-b0fb-66364bbe792c | mp-1206399 | Insert a Au atom in the line between atoms at indices 1 and 7, and the inserted atom must be 0.46 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... | data_image0
_chemical_formula_structural Rb2LiVCl6Au
_chemical_formula_sum "Rb2 Li1 V1 Cl6 Au1"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_grou... |
InsertBetweenAtomsAction | 9cae583e-8e25-4b57-bfbb-5bd2798eeee5 | mp-1212002 | Insert a Mg atom in the line between atoms at indices 51 and 49, and the inserted atom must be 6.37 angstrom from atom at 51 in the cif file. | data_image0
_chemical_formula_structural K8Er8Se16O64
_chemical_formula_sum "K8 Er8 Se16 O64"
_cell_length_a 5.692184
_cell_length_b 9.063673
_cell_length_c 27.753806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural K8Er8Se16O64Mg
_chemical_formula_sum "K8 Er8 Se16 O64 Mg1"
_cell_length_a 5.692184
_cell_length_b 9.063673
_cell_length_c 27.753806
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | e820eaa8-efb9-444a-9757-81db8a58e997 | mp-557384 | Insert a Cu atom in the line between atoms at indices 40 and 38, and the inserted atom must be 0.70 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Mg4U4B8O28
_chemical_formula_sum "Mg4 U4 B8 O28"
_cell_length_a 7.393992
_cell_length_b 8.022988
_cell_length_c 9.876277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Mg4U4B8O28Cu
_chemical_formula_sum "Mg4 U4 B8 O28 Cu1"
_cell_length_a 7.393992
_cell_length_b 8.022988
_cell_length_c 9.876277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 79bc3c47-099f-4d3e-8955-93d51d077147 | mp-755275 | Insert a F atom in the line between atoms at indices 11 and 4, and the inserted atom must be 1.30 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li2Fe2Ni2O8
_chemical_formula_sum "Li2 Fe2 Ni2 O8"
_cell_length_a 5.94280347
_cell_length_b 5.94280347
_cell_length_c 5.94280347
_cell_angle_alpha 123.09092136
_cell_angle_beta 122.20304436000002
_cell_angle_gamma 85.47520821000002
... | data_image0
_chemical_formula_structural Li2Fe2Ni2O8F
_chemical_formula_sum "Li2 Fe2 Ni2 O8 F1"
_cell_length_a 5.94280347
_cell_length_b 5.94280347
_cell_length_c 5.94280347
_cell_angle_alpha 123.09092136
_cell_angle_beta 122.20304436000002
_cell_angle_gamma 85.47520821000... |
MoveAroundAtomAction | 85e0f7f9-5bef-4094-8091-dd3eddaa05fe | mp-36529 | Move all surrounding atoms within 3.978 angstrom around the center atom at index 0 by [-2.529 -1.276 0.878] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3W10O30
_chemical_formula_sum "Na3 W10 O30"
_cell_length_a 5.504301
_cell_length_b 6.736154
_cell_length_c 16.03167972
_cell_angle_alpha 81.98692636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Na3W10O30
_chemical_formula_sum "Na3 W10 O30"
_cell_length_a 5.504301
_cell_length_b 6.736154
_cell_length_c 16.03167972
_cell_angle_alpha 81.98692636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAroundAtomAction | f40a57ee-91a8-4117-9e08-3aaa90755df6 | mp-1192151 | Move all surrounding atoms within 3.816 angstrom around the center atom at index 20 by [1.772 2.242 1.802] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... | data_image0
_chemical_formula_structural Rb4Zn10As8
_chemical_formula_sum "Rb4 Zn10 As8"
_cell_length_a 6.82005383
_cell_length_b 6.820053829999999
_cell_length_c 11.7456414
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.26470827999998
_space_group_nam... |
MoveAroundAtomAction | 2944884e-4f0b-4957-bc4f-9d5ae9242dee | mp-1190262 | Move all surrounding atoms within 3.549 angstrom around the center atom at index 5 by [ 4.395 -2.615 0.458] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr10Sb6Ru2
_chemical_formula_sum "Zr10 Sb6 Ru2"
_cell_length_a 8.73189757
_cell_length_b 8.73189757
_cell_length_c 5.899617
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999677999999
_space_group_name_H-M_alt... |
MoveAroundAtomAction | 601a1c18-b824-4ced-94d6-6705a79fb42b | mp-1174686 | Move all surrounding atoms within 2.11 angstrom around the center atom at index 10 by [-1.774 -1.784 3.905] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 4.952558
_cell_length_b 5.12195824
_cell_length_c 10.24540239
_cell_angle_alpha 100.31488782
_cell_angle_beta 98.10248081
_cell_angle_gamma 100.05603004
_space_gro... | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 4.952558
_cell_length_b 5.12195824
_cell_length_c 10.24540239
_cell_angle_alpha 100.31488782
_cell_angle_beta 98.10248081
_cell_angle_gamma 100.05603004
_space_gro... |
MoveAroundAtomAction | f76def89-07c0-43e9-b647-67eae3136985 | mp-776484 | Move all surrounding atoms within 2.796 angstrom around the center atom at index 18 by [ 1.816 1.353 -2.176] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Sn6P16O58
_chemical_formula_sum "Li12 Sn6 P16 O58"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
_space... | data_image0
_chemical_formula_structural Li12Sn6P16O58
_chemical_formula_sum "Li12 Sn6 P16 O58"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
_space... |
MoveAroundAtomAction | 6a5fe651-0d39-4710-b7fc-79820b482679 | mp-36982 | Move all surrounding atoms within 2.868 angstrom around the center atom at index 49 by [-0.12 0.128 -0.628] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg2Ti16S32
_chemical_formula_sum "Mg2 Ti16 S32"
_cell_length_a 7.015726
_cell_length_b 9.905398
_cell_length_c 14.009673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Mg2Ti16S32
_chemical_formula_sum "Mg2 Ti16 S32"
_cell_length_a 7.015726
_cell_length_b 9.905398
_cell_length_c 14.009673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveAroundAtomAction | 08d00f23-f5ac-42de-8ae3-9f1d459229e8 | mp-1214497 | Move all surrounding atoms within 2.727 angstrom around the center atom at index 4 by [-0.774 -1.901 -1.041] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... |
MoveAroundAtomAction | f8f7cf65-b5e6-4447-816a-ba832f8a603a | mp-534935 | Move all surrounding atoms within 3.908 angstrom around the center atom at index 62 by [-0.641 1.498 -0.278] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr3Pr10Al12Si18N36O18
_chemical_formula_sum "Sr3 Pr10 Al12 Si18 N36 O18"
_cell_length_a 11.70973373
_cell_length_b 11.70973373
_cell_length_c 11.70921533
_cell_angle_alpha 70.56586439999998
_cell_angle_beta 70.5658644
_cell_angle_gamma... | data_image0
_chemical_formula_structural Sr3Pr10Al12Si18N36O18
_chemical_formula_sum "Sr3 Pr10 Al12 Si18 N36 O18"
_cell_length_a 11.70973373
_cell_length_b 11.70973373
_cell_length_c 11.70921533
_cell_angle_alpha 70.56586439999998
_cell_angle_beta 70.5658644
_cell_angle_gamma... |
MoveAroundAtomAction | 64d41ea2-7e89-429c-8c6b-360889624043 | mp-5626 | Move all surrounding atoms within 3.282 angstrom around the center atom at index 23 by [ 0.366 -4.013 3.638] angstrom in the cif file. | data_image0
_chemical_formula_structural K12Sb4Te12
_chemical_formula_sum "K12 Sb4 Te12"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural K12Sb4Te12
_chemical_formula_sum "K12 Sb4 Te12"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
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