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 | 915b1978-9ab7-4eba-98aa-d5764005ac2e | mp-774255 | Insert a Pr atom in the line between atoms at indices 16 and 2, and the inserted atom must be 0.46 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural K6Cr2P2C2O14
_chemical_formula_sum "K6 Cr2 P2 C2 O14"
_cell_length_a 9.94343236
_cell_length_b 6.807099
_cell_length_c 5.733245119999999
_cell_angle_alpha 89.99848373
_cell_angle_beta 88.62955287
_cell_angle_gamma 90.00328154
_spac... | data_image0
_chemical_formula_structural K6Cr2P2C2O14Pr
_chemical_formula_sum "K6 Cr2 P2 C2 O14 Pr1"
_cell_length_a 9.94343236
_cell_length_b 6.807099
_cell_length_c 5.733245119999999
_cell_angle_alpha 89.99848373
_cell_angle_beta 88.62955287
_cell_angle_gamma 90.00328154
... |
InsertBetweenAtomsAction | 5e1c144a-e65d-43cd-b4c4-2bef47f48ddb | mp-11609 | Insert a Lu atom in the line between atoms at indices 0 and 5, and the inserted atom must be 1.17 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4Lu
_chemical_formula_sum "Sb2 Mo4 S4 Lu1"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | ea84cb7c-be29-4721-8d42-c868b8f51db8 | mp-680722 | Insert a I atom in the line between atoms at indices 43 and 68, and the inserted atom must be 7.38 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural As4Pb28Cl8O34
_chemical_formula_sum "As4 Pb28 Cl8 O34"
_cell_length_a 13.19017083
_cell_length_b 13.19017083
_cell_length_c 11.50358125
_cell_angle_alpha 76.55109875
_cell_angle_beta 76.55109875
_cell_angle_gamma 121.34357819000002
... | data_image0
_chemical_formula_structural As4Pb28Cl8O34I
_chemical_formula_sum "As4 Pb28 Cl8 O34 I1"
_cell_length_a 13.19017083
_cell_length_b 13.19017083
_cell_length_c 11.50358125
_cell_angle_alpha 76.55109875
_cell_angle_beta 76.55109875
_cell_angle_gamma 121.34357819000... |
InsertBetweenAtomsAction | 2196d707-30ba-4eca-9418-8593cc80e3a0 | mp-10834 | Insert a Pr atom in the line between atoms at indices 1 and 6, and the inserted atom must be 2.00 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Rb2Nd4Cu2S8
_chemical_formula_sum "Rb2 Nd4 Cu2 S8"
_cell_length_a 7.34774261
_cell_length_b 7.34774261
_cell_length_c 14.03353693
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.70587414
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Rb2Nd4Cu2S8Pr
_chemical_formula_sum "Rb2 Nd4 Cu2 S8 Pr1"
_cell_length_a 7.34774261
_cell_length_b 7.34774261
_cell_length_c 14.03353693
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.70587414
_space_group_name_H... |
InsertBetweenAtomsAction | 86e834f3-1edf-4c41-a367-67c2984f4ba5 | mp-849436 | Insert a Ac atom in the line between atoms at indices 12 and 27, and the inserted atom must be 3.41 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Na4Fe8O16
_chemical_formula_sum "Na4 Fe8 O16"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_space_grou... | data_image0
_chemical_formula_structural Na4Fe8O16Ac
_chemical_formula_sum "Na4 Fe8 O16 Ac1"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_spac... |
InsertBetweenAtomsAction | 2c0413be-462a-44b3-8398-130bcedfe812 | mp-1306534 | Insert a He atom in the line between atoms at indices 9 and 10, and the inserted atom must be 0.75 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural V2Cr4O8
_chemical_formula_sum "V2 Cr4 O8"
_cell_length_a 6.07895869
_cell_length_b 6.08379871
_cell_length_c 6.12704615
_cell_angle_alpha 59.93071830000001
_cell_angle_beta 119.20253117000001
_cell_angle_gamma 120.35283402999998
_s... | data_image0
_chemical_formula_structural V2Cr4O8He
_chemical_formula_sum "V2 Cr4 O8 He1"
_cell_length_a 6.07895869
_cell_length_b 6.08379871
_cell_length_c 6.12704615
_cell_angle_alpha 59.93071830000001
_cell_angle_beta 119.20253117000001
_cell_angle_gamma 120.352834029999... |
InsertBetweenAtomsAction | 1abdc016-717d-4db1-93ab-add614cd26e5 | mp-1106190 | Insert a Tc atom in the line between atoms at indices 4 and 11, and the inserted atom must be 3.64 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Er4Ga12Ni
_chemical_formula_sum "Er4 Ga12 Ni1"
_cell_length_a 7.31613481
_cell_length_b 7.31613481
_cell_length_c 7.31613481
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Er4Ga12NiTc
_chemical_formula_sum "Er4 Ga12 Ni1 Tc1"
_cell_length_a 7.31613481
_cell_length_b 7.31613481
_cell_length_c 7.31613481
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_g... |
InsertBetweenAtomsAction | ff8183ae-0e1f-4f97-8ff4-b7a1c81c1c47 | mp-1027627 | Insert a Cm atom in the line between atoms at indices 5 and 0, and the inserted atom must be 2.24 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Te2Mo4Se2S4
_chemical_formula_sum "Te2 Mo4 Se2 S4"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te2Mo4Se2S4Cm
_chemical_formula_sum "Te2 Mo4 Se2 S4 Cm1"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 72c851e2-ce41-4f21-85f9-eb4f82805fbf | mp-695175 | Insert a Np atom in the line between atoms at indices 33 and 61, and the inserted atom must be 10.25 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Na3Sr14Nd3Ti20O60
_chemical_formula_sum "Na3 Sr14 Nd3 Ti20 O60"
_cell_length_a 5.53353707
_cell_length_b 5.533537070000001
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.02449801
_space_g... | data_image0
_chemical_formula_structural Na3Sr14Nd3Ti20O60Np
_chemical_formula_sum "Na3 Sr14 Nd3 Ti20 O60 Np1"
_cell_length_a 5.53353707
_cell_length_b 5.533537070000001
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.02449801
_s... |
InsertBetweenAtomsAction | 5fff5fbe-cdcf-4ca8-b9fc-92a319cc2c3b | mp-770527 | Insert a Pt atom in the line between atoms at indices 9 and 5, and the inserted atom must be 4.75 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li4Mn8O18
_chemical_formula_sum "Li4 Mn8 O18"
_cell_length_a 4.93901349
_cell_length_b 4.93901349
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Mn8O18Pt
_chemical_formula_sum "Li4 Mn8 O18 Pt1"
_cell_length_a 4.93901349
_cell_length_b 4.93901349
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 3e27a30a-0a1c-451a-a459-4f7c937c6b92 | mp-885434 | Insert a Ho atom in the line between atoms at indices 2 and 13, and the inserted atom must be 0.72 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural K2Li4Fe2O6
_chemical_formula_sum "K2 Li4 Fe2 O6"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_gamma 73.42810532
_sp... | data_image0
_chemical_formula_structural K2Li4Fe2O6Ho
_chemical_formula_sum "K2 Li4 Fe2 O6 Ho1"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_gamma 73.4281053... |
InsertBetweenAtomsAction | 982422fd-c244-49eb-a547-2550be3a1155 | mp-755181 | Insert a La atom in the line between atoms at indices 2 and 6, and the inserted atom must be 0.50 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... | data_image0
_chemical_formula_structural V4O5F7La
_chemical_formula_sum "V4 O5 F7 La1"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group... |
InsertBetweenAtomsAction | 9b16f935-3c15-49ec-a676-6d66d1a1dacf | mp-573073 | Insert a Nh atom in the line between atoms at indices 16 and 51, and the inserted atom must be 5.58 angstrom from atom at 16 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 Cs14Cu12F38Nh
_chemical_formula_sum "Cs14 Cu12 F38 Nh1"
_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 | 16377541-7ace-48db-a11c-7cc1d1e2ab28 | mp-1095343 | Insert a Lr atom in the line between atoms at indices 5 and 4, and the inserted atom must be 2.41 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ca4Mg6Si2
_chemical_formula_sum "Ca4 Mg6 Si2"
_cell_length_a 6.05656735
_cell_length_b 6.05656735
_cell_length_c 9.461633
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999293
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ca4Mg6Si2Lr
_chemical_formula_sum "Ca4 Mg6 Si2 Lr1"
_cell_length_a 6.05656735
_cell_length_b 6.05656735
_cell_length_c 9.461633
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999293
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 6bbb5384-abb6-4332-9fdc-c82288cfa7fb | mp-861293 | Insert a Cu atom in the line between atoms at indices 17 and 14, and the inserted atom must be 2.41 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Li16Ni2O8F4
_chemical_formula_sum "Li16 Ni2 O8 F4"
_cell_length_a 5.43993172
_cell_length_b 5.18163322
_cell_length_c 10.51516735
_cell_angle_alpha 79.76806078
_cell_angle_beta 76.84242325
_cell_angle_gamma 63.99654066
_space_group... | data_image0
_chemical_formula_structural Li16Ni2O8F4Cu
_chemical_formula_sum "Li16 Ni2 O8 F4 Cu1"
_cell_length_a 5.43993172
_cell_length_b 5.18163322
_cell_length_c 10.51516735
_cell_angle_alpha 79.76806078
_cell_angle_beta 76.84242325
_cell_angle_gamma 63.99654066
_space... |
InsertBetweenAtomsAction | a9ac0346-40b2-47ae-8561-c89dced15f5b | mp-989647 | Insert a Am atom in the line between atoms at indices 0 and 1, and the inserted atom must be 1.81 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_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 Y4Re4N12Am
_chemical_formula_sum "Y4 Re4 N12 Am1"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | e09647b2-3902-4c0d-8495-0bc6a38d0646 | mp-776680 | Insert a N atom in the line between atoms at indices 4 and 8, and the inserted atom must be 2.32 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural TiMn2Ni3P6O24
_chemical_formula_sum "Ti1 Mn2 Ni3 P6 O24"
_cell_length_a 8.55608297
_cell_length_b 8.55608297
_cell_length_c 8.55608298
_cell_angle_alpha 60.853267769999995
_cell_angle_beta 60.853267769999995
_cell_angle_gamma 60.853... | data_image0
_chemical_formula_structural TiMn2Ni3P6O24N
_chemical_formula_sum "Ti1 Mn2 Ni3 P6 O24 N1"
_cell_length_a 8.55608297
_cell_length_b 8.55608297
_cell_length_c 8.55608298
_cell_angle_alpha 60.853267769999995
_cell_angle_beta 60.853267769999995
_cell_angle_gamma 60... |
InsertBetweenAtomsAction | 89700828-4edf-41b7-a225-156103c08e8c | mp-756803 | Insert a Br atom in the line between atoms at indices 12 and 7, and the inserted atom must be 2.54 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li3Fe4NiO8
_chemical_formula_sum "Li3 Fe4 Ni1 O8"
_cell_length_a 5.99879997
_cell_length_b 5.99879997
_cell_length_c 5.98749598
_cell_angle_alpha 60.26840743
_cell_angle_beta 60.26840743
_cell_angle_gamma 59.43487156
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe4NiO8Br
_chemical_formula_sum "Li3 Fe4 Ni1 O8 Br1"
_cell_length_a 5.99879997
_cell_length_b 5.99879997
_cell_length_c 5.98749598
_cell_angle_alpha 60.26840743
_cell_angle_beta 60.26840743
_cell_angle_gamma 59.43487156
_space_g... |
InsertBetweenAtomsAction | 7108bae3-6745-448d-a511-1a9660eb385c | mp-1111700 | Insert a Pb atom in the line between atoms at indices 7 and 8, and the inserted atom must be 1.54 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Na3TlBr6
_chemical_formula_sum "Na3 Tl1 Br6"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Na3TlBr6Pb
_chemical_formula_sum "Na3 Tl1 Br6 Pb1"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
InsertBetweenAtomsAction | 21258765-df2c-42f4-9ffc-f9199ce0eb34 | mp-1232277 | Insert a La atom in the line between atoms at indices 20 and 17, and the inserted atom must be 1.67 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Sm6Mg6S18
_chemical_formula_sum "Sm6 Mg6 S18"
_cell_length_a 6.855687
_cell_length_b 6.85568666
_cell_length_c 17.754389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999680999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sm6Mg6S18La
_chemical_formula_sum "Sm6 Mg6 S18 La1"
_cell_length_a 6.855687
_cell_length_b 6.85568666
_cell_length_c 17.754389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999680999998
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 5f9a7711-b8fe-4e12-916c-1591d0ec6140 | mp-554072 | Insert a Gd atom in the line between atoms at indices 6 and 7, and the inserted atom must be 1.43 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural K4C2O6
_chemical_formula_sum "K4 C2 O6"
_cell_length_a 5.59586248
_cell_length_b 5.74233989
_cell_length_c 6.7059935
_cell_angle_alpha 84.65593184
_cell_angle_beta 78.98018179
_cell_angle_gamma 60.840285819999984
_space_group_name_... | data_image0
_chemical_formula_structural K4C2O6Gd
_chemical_formula_sum "K4 C2 O6 Gd1"
_cell_length_a 5.59586248
_cell_length_b 5.74233989
_cell_length_c 6.7059935
_cell_angle_alpha 84.65593184
_cell_angle_beta 78.98018179
_cell_angle_gamma 60.840285819999984
_space_group... |
InsertBetweenAtomsAction | 895c29c9-5b5f-494e-a115-c91b291fca0e | mp-1029153 | Insert a Rf atom in the line between atoms at indices 11 and 7, and the inserted atom must be 2.01 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2Rf
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2 Rf1"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_nam... |
InsertBetweenAtomsAction | 3111bac8-b086-4e1b-9df7-e5f4de10cc8d | mp-997504 | Insert a P atom in the line between atoms at indices 15 and 10, and the inserted atom must be 1.03 angstrom from atom at 15 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 Cu6O2F10P
_chemical_formula_sum "Cu6 O2 F10 P1"
_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 | 1800d47d-d6d2-400e-ab9d-8d1b43446a47 | mp-2241417 | Insert a Al atom in the line between atoms at indices 6 and 3, and the inserted atom must be 0.36 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Na2MgMn2O8
_chemical_formula_sum "Na2 Mg1 Mn2 O8"
_cell_length_a 5.73591922
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na2MgMn2O8Al
_chemical_formula_sum "Na2 Mg1 Mn2 O8 Al1"
_cell_length_a 5.73591922
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_group_na... |
InsertBetweenAtomsAction | 5420610d-bd1c-4dd2-8c36-ef3b3524e76c | mp-2230732 | Insert a Nh atom in the line between atoms at indices 2 and 8, and the inserted atom must be 0.95 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural MgFe6O11F
_chemical_formula_sum "Mg1 Fe6 O11 F1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_group_na... | data_image0
_chemical_formula_structural MgFe6O11FNh
_chemical_formula_sum "Mg1 Fe6 O11 F1 Nh1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_gr... |
InsertBetweenAtomsAction | d059aaeb-638a-48da-9727-2e0d8cdcba57 | mp-561176 | Insert a Zn atom in the line between atoms at indices 59 and 57, and the inserted atom must be 5.21 angstrom from atom at 59 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 Sb8P4O4F52Zn
_chemical_formula_sum "Sb8 P4 O4 F52 Zn1"
_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_... |
InsertBetweenAtomsAction | 57371d11-8716-455b-b45c-ce955b8d3464 | mp-759285 | Insert a Sg atom in the line between atoms at indices 26 and 11, and the inserted atom must be 1.58 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Li4Fe7O2F14
_chemical_formula_sum "Li4 Fe7 O2 F14"
_cell_length_a 6.187905
_cell_length_b 6.22051538
_cell_length_c 10.776466370000001
_cell_angle_alpha 91.03348126
_cell_angle_beta 105.74202947
_cell_angle_gamma 119.43502851
_spac... | data_image0
_chemical_formula_structural Li4Fe7O2F14Sg
_chemical_formula_sum "Li4 Fe7 O2 F14 Sg1"
_cell_length_a 6.187905
_cell_length_b 6.22051538
_cell_length_c 10.776466370000001
_cell_angle_alpha 91.03348126
_cell_angle_beta 105.74202947
_cell_angle_gamma 119.43502851
... |
InsertBetweenAtomsAction | 9ab94001-47e1-4766-bb22-7972479234a4 | mp-1046918 | Insert a Se atom in the line between atoms at indices 11 and 12, and the inserted atom must be 0.87 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ca4Ti4O8
_chemical_formula_sum "Ca4 Ti4 O8"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_group_na... | data_image0
_chemical_formula_structural Ca4Ti4O8Se
_chemical_formula_sum "Ca4 Ti4 O8 Se1"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_gr... |
InsertBetweenAtomsAction | 527553cf-bfd4-47af-84b7-5b51e7a90232 | mp-1246600 | Insert a Sr atom in the line between atoms at indices 0 and 2, and the inserted atom must be 1.08 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ba6Cu2N6
_chemical_formula_sum "Ba6 Cu2 N6"
_cell_length_a 8.09362701
_cell_length_b 8.09295231
_cell_length_c 5.704156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99708753
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ba6Cu2N6Sr
_chemical_formula_sum "Ba6 Cu2 N6 Sr1"
_cell_length_a 8.09362701
_cell_length_b 8.09295231
_cell_length_c 5.704156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99708753
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 01e6f996-f7bf-4779-9340-97f7d88feb2e | mp-571569 | Insert a Ge atom in the line between atoms at indices 12 and 5, and the inserted atom must be 7.22 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Cd9I18
_chemical_formula_sum "Cd9 I18"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 64.37281574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd9I18Ge
_chemical_formula_sum "Cd9 I18 Ge1"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 64.37281574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 98ccc6e5-3a32-4f54-89c2-9f157fdfc451 | mp-772150 | Insert a Mc atom in the line between atoms at indices 23 and 9, and the inserted atom must be 5.10 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li4Ti26O44
_chemical_formula_sum "Li4 Ti26 O44"
_cell_length_a 7.67994716
_cell_length_b 7.67994716
_cell_length_c 14.056681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.84195336
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ti26O44Mc
_chemical_formula_sum "Li4 Ti26 O44 Mc1"
_cell_length_a 7.67994716
_cell_length_b 7.67994716
_cell_length_c 14.056681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.84195336
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 3970f27c-772e-4c58-88b8-41c7152ef663 | mp-2232113 | Insert a Db atom in the line between atoms at indices 0 and 13, and the inserted atom must be 3.07 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural MgFe4Hg2O8
_chemical_formula_sum "Mg1 Fe4 Hg2 O8"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.64590332
... | data_image0
_chemical_formula_structural MgFe4Hg2O8Db
_chemical_formula_sum "Mg1 Fe4 Hg2 O8 Db1"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.6459... |
InsertBetweenAtomsAction | 11f3a331-bdfb-4425-9ac8-142f9e38691e | mp-766004 | Insert a Os atom in the line between atoms at indices 3 and 39, and the inserted atom must be 0.55 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.00009645
_sp... | data_image0
_chemical_formula_structural Li8V4C8O24Os
_chemical_formula_sum "Li8 V4 C8 O24 Os1"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.0000964... |
InsertBetweenAtomsAction | 25532431-af23-488f-993e-730ec70bc054 | mp-2230732 | Insert a Rg atom in the line between atoms at indices 17 and 10, and the inserted atom must be 4.60 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural MgFe6O11F
_chemical_formula_sum "Mg1 Fe6 O11 F1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_group_na... | data_image0
_chemical_formula_structural MgFe6O11FRg
_chemical_formula_sum "Mg1 Fe6 O11 F1 Rg1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_gr... |
InsertBetweenAtomsAction | cc76aa37-f2bf-4009-9505-a5b8258cfcae | mp-2713621 | Insert a Np atom in the line between atoms at indices 53 and 36, and the inserted atom must be 4.24 angstrom from atom at 53 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 Na12Zr4Ti4Si8P4O48Np
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48 Np1"
_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 ... |
InsertBetweenAtomsAction | fc30c901-9104-4efe-88a1-13c1a813c0d0 | mp-1207428 | Insert a Ba atom in the line between atoms at indices 6 and 5, and the inserted atom must be 2.43 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 Zr4Ni4As4Ba
_chemical_formula_sum "Zr4 Ni4 As4 Ba1"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | b7432dff-055f-4c48-b13f-32b6e68b8fe7 | mp-1194492 | Insert a Sc atom in the line between atoms at indices 23 and 15, and the inserted atom must be 3.01 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Al4Te2S2O18
_chemical_formula_sum "Al4 Te2 S2 O18"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Al4Te2S2O18Sc
_chemical_formula_sum "Al4 Te2 S2 O18 Sc1"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 75f9bfe7-5a0c-4e0e-964d-48cdb02fd6ce | mp-850445 | Insert a Si atom in the line between atoms at indices 55 and 61, and the inserted atom must be 4.13 angstrom from atom at 55 in the cif file. | data_image0
_chemical_formula_structural Na6Zn8As6H24O38
_chemical_formula_sum "Na6 Zn8 As6 H24 O38"
_cell_length_a 10.99717487
_cell_length_b 10.99717487
_cell_length_c 10.99717513
_cell_angle_alpha 60.66908433
_cell_angle_beta 60.66908433
_cell_angle_gamma 60.66908747999... | data_image0
_chemical_formula_structural Na6Zn8As6H24O38Si
_chemical_formula_sum "Na6 Zn8 As6 H24 O38 Si1"
_cell_length_a 10.99717487
_cell_length_b 10.99717487
_cell_length_c 10.99717513
_cell_angle_alpha 60.66908433
_cell_angle_beta 60.66908433
_cell_angle_gamma 60.66908... |
InsertBetweenAtomsAction | 6e42e361-dd56-4fe8-8303-215dfb1ebe4b | mp-772149 | Insert a Tl atom in the line between atoms at indices 27 and 11, and the inserted atom must be 1.69 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Sm8Ge8O28
_chemical_formula_sum "Sm8 Ge8 O28"
_cell_length_a 6.90826558
_cell_length_b 6.90239741
_cell_length_c 12.435522049999998
_cell_angle_alpha 93.65715325999999
_cell_angle_beta 91.28990938
_cell_angle_gamma 91.89077831
_spa... | data_image0
_chemical_formula_structural Sm8Ge8O28Tl
_chemical_formula_sum "Sm8 Ge8 O28 Tl1"
_cell_length_a 6.90826558
_cell_length_b 6.90239741
_cell_length_c 12.435522049999998
_cell_angle_alpha 93.65715325999999
_cell_angle_beta 91.28990938
_cell_angle_gamma 91.89077831... |
InsertBetweenAtomsAction | 8d735df8-cc73-4d34-bffb-ef809116137e | mp-28481 | Insert a Rg atom in the line between atoms at indices 0 and 9, and the inserted atom must be 4.86 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ti2Cl8O32
_chemical_formula_sum "Ti2 Cl8 O32"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_name_... | data_image0
_chemical_formula_structural Ti2Cl8O32Rg
_chemical_formula_sum "Ti2 Cl8 O32 Rg1"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group... |
InsertBetweenAtomsAction | d18b79d2-8b22-4c0e-9c57-1f9f10ec053c | mp-765641 | Insert a Yb atom in the line between atoms at indices 27 and 6, and the inserted atom must be 4.62 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li8Fe8P8O32Yb
_chemical_formula_sum "Li8 Fe8 P8 O32 Yb1"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 6682461f-0e0f-44d8-97c4-16adca4cf355 | mp-1192384 | Insert a Rf atom in the line between atoms at indices 22 and 1, and the inserted atom must be 1.80 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Dy4W4Br4O16
_chemical_formula_sum "Dy4 W4 Br4 O16"
_cell_length_a 6.994129
_cell_length_b 7.32133539
_cell_length_c 11.08389912
_cell_angle_alpha 104.39430596000001
_cell_angle_beta 107.88295586
_cell_angle_gamma 93.82427121
_space... | data_image0
_chemical_formula_structural Dy4W4Br4O16Rf
_chemical_formula_sum "Dy4 W4 Br4 O16 Rf1"
_cell_length_a 6.994129
_cell_length_b 7.32133539
_cell_length_c 11.08389912
_cell_angle_alpha 104.39430596000001
_cell_angle_beta 107.88295586
_cell_angle_gamma 93.82427121
... |
InsertBetweenAtomsAction | e3e1b85d-1f9e-454d-bc65-b3c54f8a8a67 | mp-1200475 | Insert a Nd atom in the line between atoms at indices 18 and 48, and the inserted atom must be 0.38 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural U2B16O34
_chemical_formula_sum "U2 B16 O34"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_space_grou... | data_image0
_chemical_formula_structural U2B16O34Nd
_chemical_formula_sum "U2 B16 O34 Nd1"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_spac... |
InsertBetweenAtomsAction | 303fee53-2570-4fc5-9597-befea2fd4a80 | mp-1205859 | Insert a Nd atom in the line between atoms at indices 2 and 8, and the inserted atom must be 0.93 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural KRb2PdF6
_chemical_formula_sum "K1 Rb2 Pd1 F6"
_cell_length_a 6.383033
_cell_length_b 6.383033
_cell_length_c 6.53945419
_cell_angle_alpha 119.21184546000002
_cell_angle_beta 119.21184546000002
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural KRb2PdF6Nd
_chemical_formula_sum "K1 Rb2 Pd1 F6 Nd1"
_cell_length_a 6.383033
_cell_length_b 6.383033
_cell_length_c 6.53945419
_cell_angle_alpha 119.21184546000002
_cell_angle_beta 119.21184546000002
_cell_angle_gamma 90.0
_space_g... |
InsertBetweenAtomsAction | 82813f2b-2cb3-45dc-ae1e-d4aa03748fed | mp-1233985 | Insert a C atom in the line between atoms at indices 20 and 13, and the inserted atom must be 0.93 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Ba10MgAs6Cl2O24
_chemical_formula_sum "Ba10 Mg1 As6 Cl2 O24"
_cell_length_a 10.77824621
_cell_length_b 10.77414381
_cell_length_c 8.31184086
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.07563411999999
_space_g... | data_image0
_chemical_formula_structural Ba10MgAs6Cl2O24C
_chemical_formula_sum "Ba10 Mg1 As6 Cl2 O24 C1"
_cell_length_a 10.77824621
_cell_length_b 10.77414381
_cell_length_c 8.31184086
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.07563411999999
_spa... |
InsertBetweenAtomsAction | 58b3b29b-9f0f-40dd-9441-1500d7a820af | mp-762220 | Insert a Pt atom in the line between atoms at indices 8 and 39, and the inserted atom must be 6.13 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li8Cu8P8O32
_chemical_formula_sum "Li8 Cu8 P8 O32"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_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 Li8Cu8P8O32Pt
_chemical_formula_sum "Li8 Cu8 P8 O32 Pt1"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 0dcc0fed-c770-4022-bbd8-b4ca1bfb33c9 | mp-1191086 | Insert a Pb atom in the line between atoms at indices 6 and 19, and the inserted atom must be 1.17 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7Pb
_chemical_formula_sum "Nd2 Mn3 Cu9 P7 Pb1"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_na... |
InsertBetweenAtomsAction | 7e688695-45be-4600-bf48-51d66b9efcd3 | mp-754801 | Insert a Fm atom in the line between atoms at indices 20 and 6, and the inserted atom must be 0.60 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... | data_image0
_chemical_formula_structural Li3Ti6O13Fm
_chemical_formula_sum "Li3 Ti6 O13 Fm1"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_spac... |
InsertBetweenAtomsAction | 121af9aa-3196-4a6c-8441-effd206d6c8a | mp-540267 | Insert a Cr atom in the line between atoms at indices 2 and 8, and the inserted atom must be 2.29 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural Cr2P4O14Cr
_chemical_formula_sum "Cr3 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group... |
InsertBetweenAtomsAction | aa5f0c2e-c4b7-4f29-a33c-3a3e7b0c0b77 | mp-11609 | Insert a F atom in the line between atoms at indices 4 and 2, and the inserted atom must be 2.72 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4F
_chemical_formula_sum "Sb2 Mo4 S4 F1"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 35df21ad-93a1-4b75-b042-f6e7873bc2a9 | mp-753734 | Insert a Db atom in the line between atoms at indices 12 and 15, and the inserted atom must be 3.30 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Mn4Cr2O12
_chemical_formula_sum "Mn4 Cr2 O12"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mn4Cr2O12Db
_chemical_formula_sum "Mn4 Cr2 O12 Db1"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | f2b4f1cb-c101-4009-9466-2b33a8db690e | mp-24473 | Insert a Nd atom in the line between atoms at indices 32 and 34, and the inserted atom must be 2.10 angstrom from atom at 32 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 Be4P4H16N4O16Nd
_chemical_formula_sum "Be4 P4 H16 N4 O16 Nd1"
_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_a... |
InsertBetweenAtomsAction | 74ad2aed-d797-405b-9ac2-c7667809c342 | mp-2230050 | Insert a Tc atom in the line between atoms at indices 4 and 17, and the inserted atom must be 5.30 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335
_spa... | data_image0
_chemical_formula_structural MgFe6O6F6Tc
_chemical_formula_sum "Mg1 Fe6 O6 F6 Tc1"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335... |
InsertBetweenAtomsAction | e3de33f9-c015-48d0-9eac-945df02208d6 | mp-1516542 | Insert a Cf atom in the line between atoms at indices 2 and 4, and the inserted atom must be 3.66 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural BaCaCeNbO6
_chemical_formula_sum "Ba1 Ca1 Ce1 Nb1 O6"
_cell_length_a 6.07376453
_cell_length_b 6.07376453
_cell_length_c 6.07376453
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural BaCaCeNbO6Cf
_chemical_formula_sum "Ba1 Ca1 Ce1 Nb1 O6 Cf1"
_cell_length_a 6.07376453
_cell_length_b 6.07376453
_cell_length_c 6.07376453
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9... |
InsertBetweenAtomsAction | 5ecb809f-be57-4e86-bdc5-9e8299e40ee7 | mp-553374 | Insert a Am atom in the line between atoms at indices 9 and 0, and the inserted atom must be 1.86 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Cs4Sb2O5
_chemical_formula_sum "Cs4 Sb2 O5"
_cell_length_a 6.37456796
_cell_length_b 6.37457746
_cell_length_c 8.16299331
_cell_angle_alpha 82.39049071
_cell_angle_beta 82.39056568
_cell_angle_gamma 66.18520179
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs4Sb2O5Am
_chemical_formula_sum "Cs4 Sb2 O5 Am1"
_cell_length_a 6.37456796
_cell_length_b 6.37457746
_cell_length_c 8.16299331
_cell_angle_alpha 82.39049071
_cell_angle_beta 82.39056568
_cell_angle_gamma 66.18520179
_space_group_n... |
InsertBetweenAtomsAction | f035b934-c9d5-40f0-85de-26c3ef28e636 | mp-1029063 | Insert a Se atom in the line between atoms at indices 1 and 9, and the inserted atom must be 2.69 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4
_chemical_formula_sum "Te2 Mo2 W2 Se2 S4"
_cell_length_a 3.30870784
_cell_length_b 3.3087078400000003
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_n... | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4Se
_chemical_formula_sum "Te2 Mo2 W2 Se3 S4"
_cell_length_a 3.30870784
_cell_length_b 3.3087078400000003
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group... |
InsertBetweenAtomsAction | 380c2f57-fe76-43ac-bc45-f822949c433a | mp-1228248 | Insert a At atom in the line between atoms at indices 7 and 26, and the inserted atom must be 4.08 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ba4NdYCu8O16
_chemical_formula_sum "Ba4 Nd1 Y1 Cu8 O16"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ba4NdYCu8O16At
_chemical_formula_sum "Ba4 Nd1 Y1 Cu8 O16 At1"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 4da3be3e-93da-42c7-a627-f56611799c37 | mp-861986 | Insert a Zn atom in the line between atoms at indices 15 and 1, and the inserted atom must be 2.13 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Pr10Al4Ru6
_chemical_formula_sum "Pr10 Al4 Ru6"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Pr10Al4Ru6Zn
_chemical_formula_sum "Pr10 Al4 Ru6 Zn1"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_... |
InsertBetweenAtomsAction | 4f86d2a0-6f63-4b3d-95ec-1db5731286f9 | mp-29717 | Insert a Pu atom in the line between atoms at indices 57 and 49, and the inserted atom must be 4.81 angstrom from atom at 57 in the cif file. | data_image0
_chemical_formula_structural Ag4W24Br56
_chemical_formula_sum "Ag4 W24 Br56"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ag4W24Br56Pu
_chemical_formula_sum "Ag4 W24 Br56 Pu1"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 49dc8fc5-fda1-4133-9ea1-1e44b9d70be2 | mp-1244893 | Insert a Mc atom in the line between atoms at indices 24 and 17, and the inserted atom must be 3.24 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Al32O12
_chemical_formula_sum "Al32 O12"
_cell_length_a 5.73023793
_cell_length_b 5.73829885
_cell_length_c 49.64508371
_cell_angle_alpha 92.01092030000001
_cell_angle_beta 91.56035934999998
_cell_angle_gamma 59.58455244000002
_spa... | data_image0
_chemical_formula_structural Al32O12Mc
_chemical_formula_sum "Al32 O12 Mc1"
_cell_length_a 5.73023793
_cell_length_b 5.73829885
_cell_length_c 49.64508371
_cell_angle_alpha 92.01092030000001
_cell_angle_beta 91.56035934999998
_cell_angle_gamma 59.58455244000002... |
InsertBetweenAtomsAction | e3494563-7490-4b12-950b-1998fb043d96 | mp-26220 | Insert a Am atom in the line between atoms at indices 2 and 1, and the inserted atom must be 1.65 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Mn2P2O8
_chemical_formula_sum "Mn2 P2 O8"
_cell_length_a 4.72858699
_cell_length_b 4.72858125
_cell_length_c 6.571448999999999
_cell_angle_alpha 89.99848461
_cell_angle_beta 90.00121092999998
_cell_angle_gamma 68.34928989
_space_gr... | data_image0
_chemical_formula_structural Mn2P2O8Am
_chemical_formula_sum "Mn2 P2 O8 Am1"
_cell_length_a 4.72858699
_cell_length_b 4.72858125
_cell_length_c 6.571448999999999
_cell_angle_alpha 89.99848461
_cell_angle_beta 90.00121092999998
_cell_angle_gamma 68.34928989
_sp... |
InsertBetweenAtomsAction | 39df42a8-eccf-46a5-b2f3-af1522fc61fc | mp-1026887 | Insert a Hf atom in the line between atoms at indices 6 and 7, and the inserted atom must be 1.50 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mg14CuC
_chemical_formula_sum "Mg14 Cu1 C1"
_cell_length_a 6.14614547
_cell_length_b 6.146145009999999
_cell_length_c 9.85098463
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000243999999
_space_group_name_H-... | data_image0
_chemical_formula_structural Mg14CuCHf
_chemical_formula_sum "Mg14 Cu1 C1 Hf1"
_cell_length_a 6.14614547
_cell_length_b 6.146145009999999
_cell_length_c 9.85098463
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000243999999
_space_group_n... |
InsertBetweenAtomsAction | 485b4b60-337a-4877-8219-e5f27f58e8cb | mp-1208367 | Insert a Mc atom in the line between atoms at indices 23 and 8, and the inserted atom must be 4.89 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Th6Co8Sn26
_chemical_formula_sum "Th6 Co8 Sn26"
_cell_length_a 9.64449
_cell_length_b 9.64449
_cell_length_c 9.64449
_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 Th6Co8Sn26Mc
_chemical_formula_sum "Th6 Co8 Sn26 Mc1"
_cell_length_a 9.64449
_cell_length_b 9.64449
_cell_length_c 9.64449
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
InsertBetweenAtomsAction | 2c321e8c-1ede-45f4-abe5-97262da1eb8b | mp-1233593 | Insert a Rn atom in the line between atoms at indices 3 and 2, and the inserted atom must be 1.26 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... | data_image0
_chemical_formula_structural Ho2MgAg2W4O16Rn
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16 Rn1"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378... |
InsertBetweenAtomsAction | 58aa7348-882f-49b3-8ab8-e2a709bf86a6 | mp-758323 | Insert a Lr atom in the line between atoms at indices 29 and 13, and the inserted atom must be 3.44 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... | data_image0
_chemical_formula_structural Li2Ti3CoP6O24Lr
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24 Lr1"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_s... |
InsertBetweenAtomsAction | 0ca97014-6080-4d48-b639-1ddb079d8e31 | mp-1181784 | Insert a Tm atom in the line between atoms at indices 1 and 12, and the inserted atom must be 1.92 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural K2MgMo2H4O10
_chemical_formula_sum "K2 Mg1 Mo2 H4 O10"
_cell_length_a 6.00896235
_cell_length_b 6.5502693999999995
_cell_length_c 7.9563935500000005
_cell_angle_alpha 111.39242719
_cell_angle_beta 96.77130034
_cell_angle_gamma 109.0... | data_image0
_chemical_formula_structural K2MgMo2H4O10Tm
_chemical_formula_sum "K2 Mg1 Mo2 H4 O10 Tm1"
_cell_length_a 6.00896235
_cell_length_b 6.5502693999999995
_cell_length_c 7.9563935500000005
_cell_angle_alpha 111.39242719
_cell_angle_beta 96.77130034
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 56706552-0934-42d2-a25a-6fd9c973e089 | mp-6192 | Insert a Am atom in the line between atoms at indices 3 and 1, and the inserted atom must be 1.86 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ba2DySbO6
_chemical_formula_sum "Ba2 Dy1 Sb1 O6"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... | data_image0
_chemical_formula_structural Ba2DySbO6Am
_chemical_formula_sum "Ba2 Dy1 Sb1 O6 Am1"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma... |
InsertBetweenAtomsAction | 7dbc5ae3-ad3a-498b-844d-ebfaae3974f3 | mp-776235 | Insert a Pd atom in the line between atoms at indices 16 and 2, and the inserted atom must be 3.96 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Zr8N8O4
_chemical_formula_sum "Zr8 N8 O4"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_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_... | data_image0
_chemical_formula_structural Zr8N8O4Pd
_chemical_formula_sum "Zr8 N8 O4 Pd1"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
InsertBetweenAtomsAction | 5619d008-9437-4a9d-b1de-826d94bc4c94 | mp-1206879 | Insert a Og atom in the line between atoms at indices 4 and 3, and the inserted atom must be 3.69 angstrom from atom at 4 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 K3AuF6Og
_chemical_formula_sum "K3 Au1 F6 Og1"
_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
_spa... |
InsertBetweenAtomsAction | 0dface55-2136-44df-a8e0-0188c964b711 | mp-756638 | Insert a Ne atom in the line between atoms at indices 5 and 4, and the inserted atom must be 0.64 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Nb2Rh2O8
_chemical_formula_sum "Nb2 Rh2 O8"
_cell_length_a 5.63372957
_cell_length_b 5.63372918
_cell_length_c 5.6337248
_cell_angle_alpha 106.66258274999998
_cell_angle_beta 106.66258935999998
_cell_angle_gamma 115.24752548999999
... | data_image0
_chemical_formula_structural Nb2Rh2O8Ne
_chemical_formula_sum "Nb2 Rh2 O8 Ne1"
_cell_length_a 5.63372957
_cell_length_b 5.63372918
_cell_length_c 5.6337248
_cell_angle_alpha 106.66258274999998
_cell_angle_beta 106.66258935999998
_cell_angle_gamma 115.2475254899... |
InsertBetweenAtomsAction | a4a35fd0-5a39-4c38-9bd8-3b9324df1b0d | mp-567505 | Insert a Ds atom in the line between atoms at indices 11 and 9, and the inserted atom must be 4.35 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Si8C8Ds
_chemical_formula_sum "Si8 C8 Ds1"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | f0dc192c-7d2a-45f3-b0ad-52bf9af80212 | mp-755181 | Insert a Ir atom in the line between atoms at indices 9 and 5, and the inserted atom must be 1.14 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... | data_image0
_chemical_formula_structural V4O5F7Ir
_chemical_formula_sum "V4 O5 F7 Ir1"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group... |
InsertBetweenAtomsAction | f3a902d7-a67d-48b6-9364-16e43d826dc4 | mp-559052 | Insert a Mo atom in the line between atoms at indices 1 and 29, and the inserted atom must be 1.43 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li2Nb6Bi8O28
_chemical_formula_sum "Li2 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... | data_image0
_chemical_formula_structural Li2Nb6Bi8O28Mo
_chemical_formula_sum "Li2 Nb6 Bi8 O28 Mo1"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space... |
InsertBetweenAtomsAction | a640d572-60d0-42c0-a7e7-8d792c4f435d | mp-1095574 | Insert a Es atom in the line between atoms at indices 3 and 6, and the inserted atom must be 2.75 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ce4Ga4Ag4
_chemical_formula_sum "Ce4 Ga4 Ag4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_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 Ce4Ga4Ag4Es
_chemical_formula_sum "Ce4 Ga4 Ag4 Es1"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_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 | ae1e85f6-3de9-4cd8-b90f-29a7dcf2aae4 | mp-1228452 | Insert a Mo atom in the line between atoms at indices 4 and 27, and the inserted atom must be 2.44 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18Mo
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18 Mo1"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space... |
InsertBetweenAtomsAction | 35717a03-1706-470b-9455-ded5ec2c27af | mp-1203334 | Insert a Nd atom in the line between atoms at indices 36 and 21, and the inserted atom must be 3.50 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural B4P4H36N12
_chemical_formula_sum "B4 P4 H36 N12"
_cell_length_a 9.675927
_cell_length_b 6.254514
_cell_length_c 9.71787723
_cell_angle_alpha 78.65079318
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural B4P4H36N12Nd
_chemical_formula_sum "B4 P4 H36 N12 Nd1"
_cell_length_a 9.675927
_cell_length_b 6.254514
_cell_length_c 9.71787723
_cell_angle_alpha 78.65079318
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 6420d83d-81e9-4253-949f-eea92aa9b143 | mp-753577 | Insert a Ba atom in the line between atoms at indices 14 and 23, and the inserted atom must be 2.69 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Li2Co4P4O16
_chemical_formula_sum "Li2 Co4 P4 O16"
_cell_length_a 5.48537801
_cell_length_b 7.78633755
_cell_length_c 8.53874691
_cell_angle_alpha 103.7206634
_cell_angle_beta 90.00693515
_cell_angle_gamma 89.99930069
_space_group_... | data_image0
_chemical_formula_structural Li2Co4P4O16Ba
_chemical_formula_sum "Li2 Co4 P4 O16 Ba1"
_cell_length_a 5.48537801
_cell_length_b 7.78633755
_cell_length_c 8.53874691
_cell_angle_alpha 103.7206634
_cell_angle_beta 90.00693515
_cell_angle_gamma 89.99930069
_space_... |
InsertBetweenAtomsAction | 5e4c13ca-0eb3-4c90-90d8-01154343c45e | mp-758186 | Insert a Sg atom in the line between atoms at indices 49 and 38, and the inserted atom must be 0.72 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural Li12Fe4P8O32
_chemical_formula_sum "Li12 Fe4 P8 O32"
_cell_length_a 10.367151
_cell_length_b 8.217866
_cell_length_c 8.31371751
_cell_angle_alpha 74.95900952
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe4P8O32Sg
_chemical_formula_sum "Li12 Fe4 P8 O32 Sg1"
_cell_length_a 10.367151
_cell_length_b 8.217866
_cell_length_c 8.31371751
_cell_angle_alpha 74.95900952
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 2ae7fbc9-744c-45aa-90f8-6fc6642c95ff | mp-1196543 | Insert a Sg atom in the line between atoms at indices 13 and 19, and the inserted atom must be 0.76 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Ga40Mo8C
_chemical_formula_sum "Ga40 Mo8 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ga40Mo8CSg
_chemical_formula_sum "Ga40 Mo8 C1 Sg1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_na... |
InsertBetweenAtomsAction | 91a74593-b546-4c80-a621-2c941ec42423 | mp-625502 | Insert a Nh atom in the line between atoms at indices 19 and 16, and the inserted atom must be 1.31 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural H4W4O14
_chemical_formula_sum "H4 W4 O14"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.64479304999999
_s... | data_image0
_chemical_formula_structural H4W4O14Nh
_chemical_formula_sum "H4 W4 O14 Nh1"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.644793049999... |
InsertBetweenAtomsAction | 1b28bb8d-d15d-45e6-ab20-682ae60f5d76 | mp-780492 | Insert a Be atom in the line between atoms at indices 18 and 34, and the inserted atom must be 1.78 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Li4VP6H8O22
_chemical_formula_sum "Li4 V1 P6 H8 O22"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 8.50755926
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cell_angle_gamma 85.81388336000002
_... | data_image0
_chemical_formula_structural Li4VP6H8O22Be
_chemical_formula_sum "Li4 V1 P6 H8 O22 Be1"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 8.50755926
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cell_angle_gamma 85.81388336000... |
InsertBetweenAtomsAction | b09fdc4a-cfba-43d9-b920-e50d70b63101 | mp-1204112 | Insert a Bk atom in the line between atoms at indices 30 and 37, and the inserted atom must be 5.48 angstrom from atom at 30 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 Sn2H8S12N12Cl12Bk
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12 Bk1"
_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
_s... |
InsertBetweenAtomsAction | a993e793-809b-48d0-9fa3-4cd29c1cd9aa | mp-29452 | Insert a Nb atom in the line between atoms at indices 18 and 1, and the inserted atom must be 5.25 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Sc8B2Cl12
_chemical_formula_sum "Sc8 B2 Cl12"
_cell_length_a 3.60292348
_cell_length_b 11.85957314
_cell_length_c 12.279586710000002
_cell_angle_alpha 89.99905886
_cell_angle_beta 90.00002933
_cell_angle_gamma 89.99999559999999
_sp... | data_image0
_chemical_formula_structural Sc8B2Cl12Nb
_chemical_formula_sum "Sc8 B2 Cl12 Nb1"
_cell_length_a 3.60292348
_cell_length_b 11.85957314
_cell_length_c 12.279586710000002
_cell_angle_alpha 89.99905886
_cell_angle_beta 90.00002933
_cell_angle_gamma 89.9999955999999... |
InsertBetweenAtomsAction | 535b9975-ce3e-4e6b-92a9-e36eb58c0c67 | mp-1209131 | Insert a Na atom in the line between atoms at indices 48 and 35, and the inserted atom must be 1.27 angstrom from atom at 48 in the cif file. | data_image0
_chemical_formula_structural Sn27Pd39
_chemical_formula_sum "Sn27 Pd39"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sn27Pd39Na
_chemical_formula_sum "Sn27 Pd39 Na1"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 262896e0-3477-4d56-939f-21a9a5d04be7 | mp-1245513 | Insert a Na atom in the line between atoms at indices 33 and 7, and the inserted atom must be 4.68 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Fe16Te12N8
_chemical_formula_sum "Fe16 Te12 N8"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_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 Fe16Te12N8Na
_chemical_formula_sum "Fe16 Te12 N8 Na1"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
InsertBetweenAtomsAction | 669a5b82-05f8-4ab1-aa59-4ded393a5334 | mp-1207969 | Insert a Cf atom in the line between atoms at indices 8 and 25, and the inserted atom must be 2.99 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Y2Co2C12N12O10
_chemical_formula_sum "Y2 Co2 C12 N12 O10"
_cell_length_a 7.57012786
_cell_length_b 7.57012786
_cell_length_c 12.859381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_n... | data_image0
_chemical_formula_structural Y2Co2C12N12O10Cf
_chemical_formula_sum "Y2 Co2 C12 N12 O10 Cf1"
_cell_length_a 7.57012786
_cell_length_b 7.57012786
_cell_length_c 12.859381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_g... |
InsertBetweenAtomsAction | 63a4be74-a5c0-4370-adf1-82978053f297 | mp-773191 | Insert a Pb atom in the line between atoms at indices 23 and 11, and the inserted atom must be 0.94 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li6Cr3Sb3O16
_chemical_formula_sum "Li6 Cr3 Sb3 O16"
_cell_length_a 6.04711615
_cell_length_b 6.04711615
_cell_length_c 10.02636895
_cell_angle_alpha 89.85000666000002
_cell_angle_beta 89.85000666000002
_cell_angle_gamma 60.31100107... | data_image0
_chemical_formula_structural Li6Cr3Sb3O16Pb
_chemical_formula_sum "Li6 Cr3 Sb3 O16 Pb1"
_cell_length_a 6.04711615
_cell_length_b 6.04711615
_cell_length_c 10.02636895
_cell_angle_alpha 89.85000666000002
_cell_angle_beta 89.85000666000002
_cell_angle_gamma 60.31... |
InsertBetweenAtomsAction | 3f75cf8e-7e6d-4d5c-a56b-fffb5810a087 | mp-776267 | Insert a In atom in the line between atoms at indices 12 and 3, and the inserted atom must be 1.08 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O16"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.00148019000001
... | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16In
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O16 In1"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.0014801900... |
InsertBetweenAtomsAction | 8235b01a-8854-4234-9ff1-df726d934a74 | mp-1103066 | Insert a Np atom in the line between atoms at indices 8 and 4, and the inserted atom must be 2.13 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Sm4Si4Pd4
_chemical_formula_sum "Sm4 Si4 Pd4"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_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 Sm4Si4Pd4Np
_chemical_formula_sum "Sm4 Si4 Pd4 Np1"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_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 | d79954f9-30cd-4739-8061-4595a1e9443a | mp-1019788 | Insert a Ce atom in the line between atoms at indices 22 and 17, and the inserted atom must be 0.41 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural K8Al6Si6O24
_chemical_formula_sum "K8 Al6 Si6 O24"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_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 K8Al6Si6O24Ce
_chemical_formula_sum "K8 Al6 Si6 O24 Ce1"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
InsertBetweenAtomsAction | 85045e02-f86e-471b-8e36-7cc4e65ea776 | mp-23414 | Insert a Tc atom in the line between atoms at indices 18 and 2, and the inserted atom must be 0.80 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Sc8N2Cl12
_chemical_formula_sum "Sc8 N2 Cl12"
_cell_length_a 3.49215082
_cell_length_b 11.55839449
_cell_length_c 12.06368771
_cell_angle_alpha 90.00014313999999
_cell_angle_beta 90.0000846
_cell_angle_gamma 89.99996687
_space_grou... | data_image0
_chemical_formula_structural Sc8N2Cl12Tc
_chemical_formula_sum "Sc8 N2 Cl12 Tc1"
_cell_length_a 3.49215082
_cell_length_b 11.55839449
_cell_length_c 12.06368771
_cell_angle_alpha 90.00014313999999
_cell_angle_beta 90.0000846
_cell_angle_gamma 89.99996687
_spac... |
InsertBetweenAtomsAction | b5bc2275-b42d-4085-bcd5-0b05c4d67bea | mp-1221127 | Insert a Rh atom in the line between atoms at indices 42 and 5, and the inserted atom must be 3.26 angstrom from atom at 42 in the cif file. | data_image0
_chemical_formula_structural Na2U8V6O40
_chemical_formula_sum "Na2 U8 V6 O40"
_cell_length_a 7.33532564
_cell_length_b 7.335325640000001
_cell_length_c 18.084419980000003
_cell_angle_alpha 78.43447669
_cell_angle_beta 78.43447669
_cell_angle_gamma 89.99990058
... | data_image0
_chemical_formula_structural Na2U8V6O40Rh
_chemical_formula_sum "Na2 U8 V6 O40 Rh1"
_cell_length_a 7.33532564
_cell_length_b 7.335325640000001
_cell_length_c 18.084419980000003
_cell_angle_alpha 78.43447669
_cell_angle_beta 78.43447669
_cell_angle_gamma 89.9999... |
InsertBetweenAtomsAction | 5daf25d2-410c-472a-9d07-7b30fcb972a8 | mp-29075 | Insert a Ca atom in the line between atoms at indices 27 and 10, and the inserted atom must be 4.07 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... | data_image0
_chemical_formula_structural Ga6Bi10Cl24Ca
_chemical_formula_sum "Ga6 Bi10 Cl24 Ca1"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
... |
InsertBetweenAtomsAction | a56effa0-d29d-4db9-9a91-cf6a98f65f06 | mp-1239191 | Insert a Nb atom in the line between atoms at indices 2 and 12, and the inserted atom must be 2.14 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Cs4Cr8S16
_chemical_formula_sum "Cs4 Cr8 S16"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_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 Cs4Cr8S16Nb
_chemical_formula_sum "Cs4 Cr8 S16 Nb1"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
InsertBetweenAtomsAction | 4e3ee921-9898-41d2-9030-7b43413262ce | mp-769513 | Insert a Er atom in the line between atoms at indices 53 and 59, and the inserted atom must be 2.73 angstrom from atom at 53 in the cif file. | data_image0
_chemical_formula_structural Li8Ti6Mn12O36
_chemical_formula_sum "Li8 Ti6 Mn12 O36"
_cell_length_a 2.909353
_cell_length_b 9.043173
_cell_length_c 25.924114
_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 Li8Ti6Mn12O36Er
_chemical_formula_sum "Li8 Ti6 Mn12 O36 Er1"
_cell_length_a 2.909353
_cell_length_b 9.043173
_cell_length_c 25.924114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 208e43ff-de7c-4bbe-bd1f-a4abc87d3a1a | mp-1228744 | Insert a Rf atom in the line between atoms at indices 32 and 64, and the inserted atom must be 0.97 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Ba6V8P12O48
_chemical_formula_sum "Ba6 V8 P12 O48"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6V8P12O48Rf
_chemical_formula_sum "Ba6 V8 P12 O48 Rf1"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 0e0413f8-23f1-48cf-b662-7ca6d5527939 | mp-28092 | Insert a Eu atom in the line between atoms at indices 75 and 77, and the inserted atom must be 10.22 angstrom from atom at 75 in the cif file. | 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 B40H52O2Eu
_chemical_formula_sum "B40 H52 O2 Eu1"
_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_grou... |
InsertBetweenAtomsAction | 19c6aa68-8f73-49dd-910a-4e0e27ca9ee7 | mp-727103 | Insert a Mc atom in the line between atoms at indices 8 and 21, and the inserted atom must be 3.08 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ba2CuC6O16
_chemical_formula_sum "Ba2 Cu1 C6 O16"
_cell_length_a 6.775689
_cell_length_b 7.7992645000000005
_cell_length_c 9.83479338
_cell_angle_alpha 70.13118492
_cell_angle_beta 82.35314984
_cell_angle_gamma 83.34399386000001
_s... | data_image0
_chemical_formula_structural Ba2CuC6O16Mc
_chemical_formula_sum "Ba2 Cu1 C6 O16 Mc1"
_cell_length_a 6.775689
_cell_length_b 7.7992645000000005
_cell_length_c 9.83479338
_cell_angle_alpha 70.13118492
_cell_angle_beta 82.35314984
_cell_angle_gamma 83.343993860000... |
InsertBetweenAtomsAction | 26617778-2e1b-4645-86ce-373a6448e8a2 | mp-1245016 | Insert a O atom in the line between atoms at indices 24 and 32, and the inserted atom must be 1.29 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Cr24Fe8O48
_chemical_formula_sum "Cr24 Fe8 O48"
_cell_length_a 10.06045022
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma 91.44994278
_space_gr... | data_image0
_chemical_formula_structural Cr24Fe8O49
_chemical_formula_sum "Cr24 Fe8 O49"
_cell_length_a 10.06045022
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma 91.44994278
_space_gr... |
InsertBetweenAtomsAction | 2da6c8a2-e5e9-49c0-8e44-b8436a435031 | mp-1104301 | Insert a Ti atom in the line between atoms at indices 4 and 6, and the inserted atom must be 3.06 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural K3Pb2Cl8
_chemical_formula_sum "K3 Pb2 Cl8"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_space_gro... | data_image0
_chemical_formula_structural K3Pb2Cl8Ti
_chemical_formula_sum "K3 Pb2 Cl8 Ti1"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_spa... |
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