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 | 26ef8ad9-8387-43be-8e64-e6defa6b0be4 | mp-1219829 | Insert a Sg atom in the line between atoms at indices 6 and 4, and the inserted atom must be 1.31 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Re2S16N2O4
_chemical_formula_sum "Re2 S16 N2 O4"
_cell_length_a 7.860381
_cell_length_b 8.74623012
_cell_length_c 10.20727706
_cell_angle_alpha 83.87596624
_cell_angle_beta 77.61601136000002
_cell_angle_gamma 78.20883059
_space_gro... | data_image0
_chemical_formula_structural Re2S16N2O4Sg
_chemical_formula_sum "Re2 S16 N2 O4 Sg1"
_cell_length_a 7.860381
_cell_length_b 8.74623012
_cell_length_c 10.20727706
_cell_angle_alpha 83.87596624
_cell_angle_beta 77.61601136000002
_cell_angle_gamma 78.20883059
_spa... |
InsertBetweenAtomsAction | 526bcb72-7a76-4241-b4c2-9d7f6b038a4f | mp-504385 | Insert a Co atom in the line between atoms at indices 62 and 73, and the inserted atom must be 4.51 angstrom from atom at 62 in the cif file. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe8P12O48Co
_chemical_formula_sum "Li12 Fe8 P12 O48 Co1"
_cell_length_a 8.799042
_cell_length_b 8.471914
_cell_length_c 12.30617389
_cell_angle_alpha 87.53286288
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 90b20df8-11e1-46e7-9603-296fd7c54ff1 | mp-726253 | Insert a Sg atom in the line between atoms at indices 13 and 5, and the inserted atom must be 0.77 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural RbLi3S2O9
_chemical_formula_sum "Rb1 Li3 S2 O9"
_cell_length_a 5.101571
_cell_length_b 5.4161261099999995
_cell_length_c 8.52957509
_cell_angle_alpha 105.94489701
_cell_angle_beta 89.59822111
_cell_angle_gamma 91.66368745
_space_gr... | data_image0
_chemical_formula_structural RbLi3S2O9Sg
_chemical_formula_sum "Rb1 Li3 S2 O9 Sg1"
_cell_length_a 5.101571
_cell_length_b 5.4161261099999995
_cell_length_c 8.52957509
_cell_angle_alpha 105.94489701
_cell_angle_beta 89.59822111
_cell_angle_gamma 91.66368745
_sp... |
InsertBetweenAtomsAction | 7f0cc216-027b-43c4-ad3f-1ead481e7ad1 | mp-580525 | Insert a Rf atom in the line between atoms at indices 25 and 23, and the inserted atom must be 0.65 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Dy12Ni12Sn24Rf
_chemical_formula_sum "Dy12 Ni12 Sn24 Rf1"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | defdf6d8-e56e-4f45-9c13-0ebc8ec0dbc4 | mp-754649 | Insert a Mn atom in the line between atoms at indices 2 and 13, and the inserted atom must be 1.92 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Mn2C2S2O14
_chemical_formula_sum "Mn2 C2 S2 O14"
_cell_length_a 6.220934
_cell_length_b 5.141389
_cell_length_c 8.71139767
_cell_angle_alpha 86.514774
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Mn2C2S2O14Mn
_chemical_formula_sum "Mn3 C2 S2 O14"
_cell_length_a 6.220934
_cell_length_b 5.141389
_cell_length_c 8.71139767
_cell_angle_alpha 86.514774
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 1d2e92ec-98c3-4f12-b01a-58bdb518a41f | mp-17691 | Insert a Rf atom in the line between atoms at indices 22 and 1, and the inserted atom must be 1.07 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Cu12Sb4S12
_chemical_formula_sum "Cu12 Sb4 S12"
_cell_length_a 6.541463
_cell_length_b 8.099059
_cell_length_c 10.268644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Cu12Sb4S12Rf
_chemical_formula_sum "Cu12 Sb4 S12 Rf1"
_cell_length_a 6.541463
_cell_length_b 8.099059
_cell_length_c 10.268644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | d86ea31c-3465-42eb-b373-12371c99486b | mp-1023480 | Insert a Ir atom in the line between atoms at indices 1 and 6, and the inserted atom must be 3.22 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mg12Al2Ni2
_chemical_formula_sum "Mg12 Al2 Ni2"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 10.46779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Mg12Al2Ni2Ir
_chemical_formula_sum "Mg12 Al2 Ni2 Ir1"
_cell_length_a 4.859032
_cell_length_b 6.040872
_cell_length_c 10.46779
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
InsertBetweenAtomsAction | 15096364-09b0-429d-9e93-3016dab92315 | mp-1205559 | Insert a Mc atom in the line between atoms at indices 6 and 0, and the inserted atom must be 2.94 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Yb2In2Br6
_chemical_formula_sum "Yb2 In2 Br6"
_cell_length_a 8.60833185
_cell_length_b 8.60833185
_cell_length_c 10.73531721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.74950681
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Yb2In2Br6Mc
_chemical_formula_sum "Yb2 In2 Br6 Mc1"
_cell_length_a 8.60833185
_cell_length_b 8.60833185
_cell_length_c 10.73531721
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.74950681
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 7de6a0fd-775c-4229-a651-37d29ec1eedb | mp-1227411 | Insert a Ca atom in the line between atoms at indices 15 and 11, and the inserted atom must be 3.28 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12Ca
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12 Ca1"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966... |
InsertBetweenAtomsAction | 32bdf14e-cbfc-4a62-8504-2ee5805c8219 | mp-1233510 | Insert a Sc atom in the line between atoms at indices 23 and 7, and the inserted atom must be 1.04 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural MgAg20Bi4O16
_chemical_formula_sum "Mg1 Ag20 Bi4 O16"
_cell_length_a 5.97614794
_cell_length_b 9.14592543
_cell_length_c 13.74615363
_cell_angle_alpha 93.61089738999999
_cell_angle_beta 94.2991175
_cell_angle_gamma 89.04968398
_spa... | data_image0
_chemical_formula_structural MgAg20Bi4O16Sc
_chemical_formula_sum "Mg1 Ag20 Bi4 O16 Sc1"
_cell_length_a 5.97614794
_cell_length_b 9.14592543
_cell_length_c 13.74615363
_cell_angle_alpha 93.61089738999999
_cell_angle_beta 94.2991175
_cell_angle_gamma 89.04968398... |
InsertBetweenAtomsAction | eb2d927d-d8ec-4d42-8623-35ce43a6b90d | mp-1190647 | Insert a Ho atom in the line between atoms at indices 2 and 3, and the inserted atom must be 5.20 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ge6F16
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ge6F16Ho
_chemical_formula_sum "Ge6 F16 Ho1"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | c83fe660-e9d0-4853-bd39-849b62732d8b | mp-777888 | Insert a Ar atom in the line between atoms at indices 18 and 12, and the inserted atom must be 5.85 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Li4Fe4F12
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 6.105144
_cell_length_b 6.11173082
_cell_length_c 6.12676191
_cell_angle_alpha 90.09645642
_cell_angle_beta 90.04854480000002
_cell_angle_gamma 90.17288889
_space_group_n... | data_image0
_chemical_formula_structural Li4Fe4F12Ar
_chemical_formula_sum "Li4 Fe4 F12 Ar1"
_cell_length_a 6.105144
_cell_length_b 6.11173082
_cell_length_c 6.12676191
_cell_angle_alpha 90.09645642
_cell_angle_beta 90.04854480000002
_cell_angle_gamma 90.17288889
_space_g... |
InsertBetweenAtomsAction | 62c9e54d-2bdf-40c8-bed7-b8cf1e62185d | mp-12241 | Insert a Tc atom in the line between atoms at indices 2 and 26, and the inserted atom must be 2.74 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ca22Sb20
_chemical_formula_sum "Ca22 Sb20"
_cell_length_a 12.0175782
_cell_length_b 12.017578059999998
_cell_length_c 12.10675775
_cell_angle_alpha 119.75662422
_cell_angle_beta 119.75662842000001
_cell_angle_gamma 90.00000316000002... | data_image0
_chemical_formula_structural Ca22Sb20Tc
_chemical_formula_sum "Ca22 Sb20 Tc1"
_cell_length_a 12.0175782
_cell_length_b 12.017578059999998
_cell_length_c 12.10675775
_cell_angle_alpha 119.75662422
_cell_angle_beta 119.75662842000001
_cell_angle_gamma 90.00000316... |
InsertBetweenAtomsAction | 7393f1d5-975c-48bb-a663-71eb3d84a499 | mp-1247135 | Insert a O atom in the line between atoms at indices 8 and 31, and the inserted atom must be 5.10 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Si14Ge2N20
_chemical_formula_sum "Si14 Ge2 N20"
_cell_length_a 6.9613158
_cell_length_b 6.750121
_cell_length_c 9.777887800000002
_cell_angle_alpha 90.0
_cell_angle_beta 106.51030843999999
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Si14Ge2N20O
_chemical_formula_sum "Si14 Ge2 N20 O1"
_cell_length_a 6.9613158
_cell_length_b 6.750121
_cell_length_c 9.777887800000002
_cell_angle_alpha 90.0
_cell_angle_beta 106.51030843999999
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | 5e7da529-e938-4ae6-b7d1-f8790569bc2e | mp-1179664 | Insert a As atom in the line between atoms at indices 43 and 17, and the inserted atom must be 7.45 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural V8Hg8O28
_chemical_formula_sum "V8 Hg8 O28"
_cell_length_a 3.457299
_cell_length_b 19.266052
_cell_length_c 12.002204
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural V8Hg8O28As
_chemical_formula_sum "V8 Hg8 O28 As1"
_cell_length_a 3.457299
_cell_length_b 19.266052
_cell_length_c 12.002204
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | bd83ebe3-b3bc-4934-ae30-74565bf98662 | mp-1095216 | Insert a Zn atom in the line between atoms at indices 8 and 7, and the inserted atom must be 1.25 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural Nd2As2O8Zn
_chemical_formula_sum "Nd2 As2 O8 Zn1"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928... |
InsertBetweenAtomsAction | f961aef4-2776-465b-8e5f-3e7b404f319d | mp-1225453 | Insert a Zr atom in the line between atoms at indices 19 and 6, and the inserted atom must be 1.74 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Er14Ag51
_chemical_formula_sum "Er14 Ag51"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 9.34994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Er14Ag51Zr
_chemical_formula_sum "Er14 Ag51 Zr1"
_cell_length_a 12.7247744
_cell_length_b 12.7247744
_cell_length_c 9.34994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000205999999
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | b2dc86f7-1f46-4c51-a994-aa4097be8612 | mp-1217519 | Insert a S atom in the line between atoms at indices 3 and 2, and the inserted atom must be 4.34 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Th2V4Pb2O16
_chemical_formula_sum "Th2 V4 Pb2 O16"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... | data_image0
_chemical_formula_structural Th2V4Pb2O16S
_chemical_formula_sum "Th2 V4 Pb2 O16 S1"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_sp... |
InsertBetweenAtomsAction | 1185332e-1cf4-40a5-a463-8ab80747b85f | mp-1039565 | Insert a Na atom in the line between atoms at indices 3 and 1, and the inserted atom must be 4.19 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ce2Mg10
_chemical_formula_sum "Ce2 Mg10"
_cell_length_a 5.24575518
_cell_length_b 3.09210841
_cell_length_c 17.95839835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Ce2Mg10Na
_chemical_formula_sum "Ce2 Mg10 Na1"
_cell_length_a 5.24575518
_cell_length_b 3.09210841
_cell_length_c 17.95839835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
InsertBetweenAtomsAction | 4f177a0f-1177-4c22-9dcb-b1011fc261ac | mp-627601 | Insert a Ge atom in the line between atoms at indices 10 and 14, and the inserted atom must be 2.02 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ag4Sb4S8
_chemical_formula_sum "Ag4 Sb4 S8"
_cell_length_a 7.44579064
_cell_length_b 7.44579064
_cell_length_c 13.57904443
_cell_angle_alpha 84.22146683
_cell_angle_beta 84.22146683
_cell_angle_gamma 45.79840505
_space_group_name_H... | data_image0
_chemical_formula_structural Ag4Sb4S8Ge
_chemical_formula_sum "Ag4 Sb4 S8 Ge1"
_cell_length_a 7.44579064
_cell_length_b 7.44579064
_cell_length_c 13.57904443
_cell_angle_alpha 84.22146683
_cell_angle_beta 84.22146683
_cell_angle_gamma 45.79840505
_space_group_... |
InsertBetweenAtomsAction | 6e2f765b-b1ee-4f49-bdc1-ea3bd20d5d2a | mp-559593 | Insert a Ca atom in the line between atoms at indices 27 and 6, and the inserted atom must be 2.20 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6Ca
_chemical_formula_sum "P3 S9 N15 F6 Ca1"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470... |
InsertBetweenAtomsAction | 738673a4-dd2a-44e3-b79b-6b4342d4e6fd | mp-1576333 | Insert a Sn atom in the line between atoms at indices 0 and 4, and the inserted atom must be 0.80 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Mn2Al2W4O16
_chemical_formula_sum "Mn2 Al2 W4 O16"
_cell_length_a 5.12278566
_cell_length_b 5.674278
_cell_length_c 9.27022947
_cell_angle_alpha 90.00001642999999
_cell_angle_beta 91.56680175999999
_cell_angle_gamma 90.0000422000000... | data_image0
_chemical_formula_structural Mn2Al2W4O16Sn
_chemical_formula_sum "Mn2 Al2 W4 O16 Sn1"
_cell_length_a 5.12278566
_cell_length_b 5.674278
_cell_length_c 9.27022947
_cell_angle_alpha 90.00001642999999
_cell_angle_beta 91.56680175999999
_cell_angle_gamma 90.0000422... |
InsertBetweenAtomsAction | ab5fca49-bb60-4a5d-addd-092559d578f5 | mp-1190028 | Insert a Si atom in the line between atoms at indices 14 and 16, and the inserted atom must be 2.79 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Tm3Al9Ni6
_chemical_formula_sum "Tm3 Al9 Ni6"
_cell_length_a 8.89713641
_cell_length_b 8.89713641
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Tm3Al9Ni6Si
_chemical_formula_sum "Tm3 Al9 Ni6 Si1"
_cell_length_a 8.89713641
_cell_length_b 8.89713641
_cell_length_c 4.02623636
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H... |
InsertBetweenAtomsAction | 108c0ef7-43c7-4a61-bbdc-ef82dbb05c54 | mp-1198979 | Insert a In atom in the line between atoms at indices 2 and 25, and the inserted atom must be 0.48 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural K6Na14MgTl18
_chemical_formula_sum "K6 Na14 Mg1 Tl18"
_cell_length_a 10.60143563
_cell_length_b 10.60143563
_cell_length_c 10.60143563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K6Na14MgTl18In
_chemical_formula_sum "K6 Na14 Mg1 Tl18 In1"
_cell_length_a 10.60143563
_cell_length_b 10.60143563
_cell_length_c 10.60143563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | adb0d89f-ab7c-494c-8cf6-ca56e0f488ca | mp-1272968 | Insert a O atom in the line between atoms at indices 10 and 0, and the inserted atom must be 2.41 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Na2V4O8
_chemical_formula_sum "Na2 V4 O8"
_cell_length_a 5.19210069
_cell_length_b 5.94416701
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43049897
_cell_angle_gamma 89.99560242
_space_group_... | data_image0
_chemical_formula_structural Na2V4O9
_chemical_formula_sum "Na2 V4 O9"
_cell_length_a 5.19210069
_cell_length_b 5.94416701
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43049897
_cell_angle_gamma 89.99560242
_space_group_... |
InsertBetweenAtomsAction | da4db501-f67b-4dae-93c6-7ca606aa1f04 | mp-1191019 | Insert a Si atom in the line between atoms at indices 19 and 0, and the inserted atom must be 1.88 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Er2Mn12P7
_chemical_formula_sum "Er2 Mn12 P7"
_cell_length_a 9.28351044
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Er2Mn12P7Si
_chemical_formula_sum "Er2 Mn12 P7 Si1"
_cell_length_a 9.28351044
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 25b594b4-26a5-4d93-8334-988cf3c68e5a | mp-1216954 | Insert a Lr atom in the line between atoms at indices 3 and 4, and the inserted atom must be 1.36 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm6Sc6Ge6Lr
_chemical_formula_sum "Tm6 Sc6 Ge6 Lr1"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_spac... |
InsertBetweenAtomsAction | 2f06147b-cee0-477d-a4de-430983d942de | mp-1359492 | Insert a O atom in the line between atoms at indices 9 and 34, and the inserted atom must be 3.88 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ba4Zn2Cu2Bi4F28
_chemical_formula_sum "Ba4 Zn2 Cu2 Bi4 F28"
_cell_length_a 7.76955665
_cell_length_b 7.76955665
_cell_length_c 16.18337066
_cell_angle_alpha 89.94437581999999
_cell_angle_beta 89.94437581999999
_cell_angle_gamma 40.4... | data_image0
_chemical_formula_structural Ba4Zn2Cu2Bi4F28O
_chemical_formula_sum "Ba4 Zn2 Cu2 Bi4 F28 O1"
_cell_length_a 7.76955665
_cell_length_b 7.76955665
_cell_length_c 16.18337066
_cell_angle_alpha 89.94437581999999
_cell_angle_beta 89.94437581999999
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 2b44bdd5-9be9-48d8-90ac-0cb43b1e9c6b | mp-1209592 | Insert a Ga atom in the line between atoms at indices 23 and 2, and the inserted atom must be 8.69 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural P8O24
_chemical_formula_sum "P8 O24"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural P8O24Ga
_chemical_formula_sum "P8 O24 Ga1"
_cell_length_a 7.70112773
_cell_length_b 7.70112773
_cell_length_c 13.232513
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.47173892
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 340efc08-6f00-4fee-95d1-8414b7b64ba7 | mp-1303460 | Insert a He atom in the line between atoms at indices 13 and 18, and the inserted atom must be 3.20 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Li4Co4C8O24
_chemical_formula_sum "Li4 Co4 C8 O24"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 9.35274032
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999998
_cell_angle_gamma 103.20683676... | data_image0
_chemical_formula_structural Li4Co4C8O24He
_chemical_formula_sum "Li4 Co4 C8 O24 He1"
_cell_length_a 6.49385373
_cell_length_b 9.35371211
_cell_length_c 9.35274032
_cell_angle_alpha 113.09499736000001
_cell_angle_beta 102.80144418999998
_cell_angle_gamma 103.20... |
InsertBetweenAtomsAction | 9534148f-3da3-4812-9104-a85d80c33948 | mp-26941 | Insert a I atom in the line between atoms at indices 3 and 18, and the inserted atom must be 5.32 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_space_g... | data_image0
_chemical_formula_structural Li4Mn4P4O16I
_chemical_formula_sum "Li4 Mn4 P4 O16 I1"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_spa... |
InsertBetweenAtomsAction | 71fb45f5-c83a-4404-9758-4715df5b1343 | mp-1200198 | Insert a Er atom in the line between atoms at indices 39 and 29, and the inserted atom must be 6.12 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Cd8Cu8P8S4O68
_chemical_formula_sum "Cd8 Cu8 P8 S4 O68"
_cell_length_a 10.571198
_cell_length_b 20.939412
_cell_length_c 6.042704
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Cd8Cu8P8S4O68Er
_chemical_formula_sum "Cd8 Cu8 P8 S4 O68 Er1"
_cell_length_a 10.571198
_cell_length_b 20.939412
_cell_length_c 6.042704
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | a9933cb1-f817-406f-b256-17af97a1b7b7 | mp-1193000 | Insert a Er atom in the line between atoms at indices 9 and 2, and the inserted atom must be 3.26 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural NiC4S4N2O12
_chemical_formula_sum "Ni1 C4 S4 N2 O12"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.76870820999999
... | data_image0
_chemical_formula_structural NiC4S4N2O12Er
_chemical_formula_sum "Ni1 C4 S4 N2 O12 Er1"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.768708209... |
InsertBetweenAtomsAction | a105c80b-bdc2-4e18-a91b-2356d57e1d0f | mp-1212287 | Insert a Pd atom in the line between atoms at indices 21 and 15, and the inserted atom must be 1.25 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Ho6B14Mo2
_chemical_formula_sum "Ho6 B14 Mo2"
_cell_length_a 8.14948756
_cell_length_b 8.14948756
_cell_length_c 9.454235
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.46716801999997
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho6B14Mo2Pd
_chemical_formula_sum "Ho6 B14 Mo2 Pd1"
_cell_length_a 8.14948756
_cell_length_b 8.14948756
_cell_length_c 9.454235
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 155.46716801999997
_space_group_name_H-M... |
InsertBetweenAtomsAction | d4a0290b-da55-44c0-a795-c8e3c9b8bfb7 | mp-764994 | Insert a H atom in the line between atoms at indices 31 and 27, and the inserted atom must be 5.87 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Li6V6P16O58
_chemical_formula_sum "Li6 V6 P16 O58"
_cell_length_a 9.732393
_cell_length_b 9.765990269999998
_cell_length_c 14.37332939
_cell_angle_alpha 90.70755737
_cell_angle_beta 89.68670657
_cell_angle_gamma 119.85956181
_space... | data_image0
_chemical_formula_structural Li6V6P16O58H
_chemical_formula_sum "Li6 V6 P16 O58 H1"
_cell_length_a 9.732393
_cell_length_b 9.765990269999998
_cell_length_c 14.37332939
_cell_angle_alpha 90.70755737
_cell_angle_beta 89.68670657
_cell_angle_gamma 119.85956181
_s... |
InsertBetweenAtomsAction | 6910817e-3548-4813-8b58-38807c824756 | mp-1227202 | Insert a Bi atom in the line between atoms at indices 6 and 1, and the inserted atom must be 4.30 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural CaAl4Si8O24
_chemical_formula_sum "Ca1 Al4 Si8 O24"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.8090608
_... | data_image0
_chemical_formula_structural CaAl4Si8O24Bi
_chemical_formula_sum "Ca1 Al4 Si8 O24 Bi1"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.8090... |
InsertBetweenAtomsAction | 0dfce3ab-937b-4bb8-bbb0-8c42e85c16ca | mp-1100889 | Insert a Ti atom in the line between atoms at indices 11 and 22, and the inserted atom must be 14.39 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Y6B6O14
_chemical_formula_sum "Y6 B6 O14"
_cell_length_a 4.02373971
_cell_length_b 4.02373915
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Y6B6O14Ti
_chemical_formula_sum "Y6 B6 O14 Ti1"
_cell_length_a 4.02373971
_cell_length_b 4.02373915
_cell_length_c 25.141182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 123.87360996999999
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | d90c1a50-ecf6-4cc3-aa84-a9a499eb0071 | mp-680133 | Insert a Mc atom in the line between atoms at indices 9 and 30, and the inserted atom must be 35.28 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Cd17I34
_chemical_formula_sum "Cd17 I34"
_cell_length_a 4.33968349
_cell_length_b 4.33968349
_cell_length_c 125.10129
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999222999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd17I34Mc
_chemical_formula_sum "Cd17 I34 Mc1"
_cell_length_a 4.33968349
_cell_length_b 4.33968349
_cell_length_c 125.10129
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999222999999
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 32e883d9-8085-440f-92e3-ef0c61c172e6 | mp-769928 | Insert a No atom in the line between atoms at indices 0 and 13, and the inserted atom must be 2.86 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... | data_image0
_chemical_formula_structural Li4NbV3O8No
_chemical_formula_sum "Li4 Nb1 V3 O8 No1"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044... |
InsertBetweenAtomsAction | c3e391d2-d864-43af-a10d-bd31b9b0181f | mp-1520816 | Insert a Ni atom in the line between atoms at indices 33 and 12, and the inserted atom must be 7.63 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Ba4Eu4Zr8O24
_chemical_formula_sum "Ba4 Eu4 Zr8 O24"
_cell_length_a 8.44182873
_cell_length_b 8.44182873
_cell_length_c 8.44429465
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ba4Eu4Zr8O24Ni
_chemical_formula_sum "Ba4 Eu4 Zr8 O24 Ni1"
_cell_length_a 8.44182873
_cell_length_b 8.44182873
_cell_length_c 8.44429465
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | f958edc9-698c-4e0f-8a72-5c3a04245a47 | mp-760314 | Insert a Fe atom in the line between atoms at indices 24 and 7, and the inserted atom must be 1.28 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural V6O5F19
_chemical_formula_sum "V6 O5 F19"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_space_gro... | data_image0
_chemical_formula_structural V6O5F19Fe
_chemical_formula_sum "V6 O5 F19 Fe1"
_cell_length_a 5.357245
_cell_length_b 5.49728866
_cell_length_c 14.92364534
_cell_angle_alpha 100.56613557999998
_cell_angle_beta 89.65687162
_cell_angle_gamma 92.05213902999999
_spa... |
InsertBetweenAtomsAction | 5ca36360-de08-4204-a845-5eae43939843 | mp-1192907 | Insert a Pb atom in the line between atoms at indices 16 and 5, and the inserted atom must be 3.60 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Cr6P4O16
_chemical_formula_sum "Cr6 P4 O16"
_cell_length_a 4.83687353
_cell_length_b 7.999447349999999
_cell_length_c 10.782286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.04748126999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cr6P4O16Pb
_chemical_formula_sum "Cr6 P4 O16 Pb1"
_cell_length_a 4.83687353
_cell_length_b 7.999447349999999
_cell_length_c 10.782286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.04748126999999
_space_group_nam... |
InsertBetweenAtomsAction | 8dbfe312-6d23-46a2-8093-359a252cad7a | mp-753993 | Insert a Co atom in the line between atoms at indices 16 and 5, and the inserted atom must be 0.81 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Nb4V4O20
_chemical_formula_sum "Nb4 V4 O20"
_cell_length_a 5.5994912
_cell_length_b 7.03718861
_cell_length_c 11.99087588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Nb4V4O20Co
_chemical_formula_sum "Nb4 V4 O20 Co1"
_cell_length_a 5.5994912
_cell_length_b 7.03718861
_cell_length_c 11.99087588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 8be57a05-e5b6-48b0-8e68-9630dfda35fd | mp-1386638 | Insert a V atom in the line between atoms at indices 25 and 9, and the inserted atom must be 1.22 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5Cu3P4O16V
_chemical_formula_sum "Na5 Cu3 P4 O16 V1"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_sp... |
InsertBetweenAtomsAction | 1e7d6cff-57de-4ebc-a1d2-addd57bb0e55 | mp-705636 | Insert a Ds atom in the line between atoms at indices 6 and 10, and the inserted atom must be 1.73 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li6Mn20O40
_chemical_formula_sum "Li6 Mn20 O40"
_cell_length_a 5.89207024
_cell_length_b 5.858170179999999
_cell_length_c 29.77496903
_cell_angle_alpha 60.53641309999999
_cell_angle_beta 60.084772949999994
_cell_angle_gamma 60.19014... | data_image0
_chemical_formula_structural Li6Mn20O40Ds
_chemical_formula_sum "Li6 Mn20 O40 Ds1"
_cell_length_a 5.89207024
_cell_length_b 5.858170179999999
_cell_length_c 29.77496903
_cell_angle_alpha 60.53641309999999
_cell_angle_beta 60.084772949999994
_cell_angle_gamma 60... |
InsertBetweenAtomsAction | 39e5598a-db6e-46d8-9b0a-9a4e1669c133 | mp-1197433 | Insert a Re atom in the line between atoms at indices 15 and 12, and the inserted atom must be 0.59 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Sm10Co38
_chemical_formula_sum "Sm10 Co38"
_cell_length_a 4.990224
_cell_length_b 4.990223349999999
_cell_length_c 31.911024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000432999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sm10Co38Re
_chemical_formula_sum "Sm10 Co38 Re1"
_cell_length_a 4.990224
_cell_length_b 4.990223349999999
_cell_length_c 31.911024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000432999998
_space_group_name_... |
InsertBetweenAtomsAction | 3aa99820-80de-48b7-b823-d4627fb51eca | mp-1209821 | Insert a In atom in the line between atoms at indices 8 and 13, and the inserted atom must be 2.89 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Np4Ge4O8
_chemical_formula_sum "Np4 Ge4 O8"
_cell_length_a 7.38406569
_cell_length_b 7.38406569
_cell_length_c 7.38406569
_cell_angle_alpha 125.96226568
_cell_angle_beta 125.96226568
_cell_angle_gamma 79.95016797
_space_group_name_... | data_image0
_chemical_formula_structural Np4Ge4O8In
_chemical_formula_sum "Np4 Ge4 O8 In1"
_cell_length_a 7.38406569
_cell_length_b 7.38406569
_cell_length_c 7.38406569
_cell_angle_alpha 125.96226568
_cell_angle_beta 125.96226568
_cell_angle_gamma 79.95016797
_space_group... |
InsertBetweenAtomsAction | 0ddff5de-bf5b-4a87-bcbf-1759a5c96c64 | mp-766138 | Insert a Mt atom in the line between atoms at indices 21 and 2, and the inserted atom must be 2.77 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Li6Fe4P4O20
_chemical_formula_sum "Li6 Fe4 P4 O20"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li6Fe4P4O20Mt
_chemical_formula_sum "Li6 Fe4 P4 O20 Mt1"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_name... |
InsertBetweenAtomsAction | ea77912e-c7c5-42de-bcfc-97764fc61917 | mp-1194470 | Insert a Fr atom in the line between atoms at indices 20 and 16, and the inserted atom must be 1.01 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Hf6Al16Pt7
_chemical_formula_sum "Hf6 Al16 Pt7"
_cell_length_a 8.69292695
_cell_length_b 8.69292713
_cell_length_c 8.6929265
_cell_angle_alpha 60.00003086
_cell_angle_beta 60.00002578
_cell_angle_gamma 60.00003065
_space_group_name... | data_image0
_chemical_formula_structural Hf6Al16Pt7Fr
_chemical_formula_sum "Hf6 Al16 Pt7 Fr1"
_cell_length_a 8.69292695
_cell_length_b 8.69292713
_cell_length_c 8.6929265
_cell_angle_alpha 60.00003086
_cell_angle_beta 60.00002578
_cell_angle_gamma 60.00003065
_space_grou... |
InsertBetweenAtomsAction | 776b9bd0-117b-48ce-89f8-e966bbefb0dd | mp-2526683 | Insert a Sr atom in the line between atoms at indices 16 and 24, and the inserted atom must be 1.51 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... | data_image0
_chemical_formula_structural W7O21Sr
_chemical_formula_sum "W7 O21 Sr1"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_gr... |
InsertBetweenAtomsAction | 1606ca0d-12ab-43c5-aecd-2dcd363671cf | mp-1176443 | Insert a Tb atom in the line between atoms at indices 10 and 3, and the inserted atom must be 1.07 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Mn4Fe4B4O16
_chemical_formula_sum "Mn4 Fe4 B4 O16"
_cell_length_a 3.206634
_cell_length_b 9.582481
_cell_length_c 9.674115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Mn4Fe4B4O16Tb
_chemical_formula_sum "Mn4 Fe4 B4 O16 Tb1"
_cell_length_a 3.206634
_cell_length_b 9.582481
_cell_length_c 9.674115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 3c2fe2c7-db88-4fff-90c6-6239a646d8f4 | mp-504554 | Insert a Kr atom in the line between atoms at indices 21 and 5, and the inserted atom must be 3.15 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Ba5Ta4O15
_chemical_formula_sum "Ba5 Ta4 O15"
_cell_length_a 5.81978595
_cell_length_b 5.81978595
_cell_length_c 11.884633370000001
_cell_angle_alpha 90.00003437
_cell_angle_beta 89.999961
_cell_angle_gamma 119.99998843
_space_grou... | data_image0
_chemical_formula_structural Ba5Ta4O15Kr
_chemical_formula_sum "Ba5 Ta4 O15 Kr1"
_cell_length_a 5.81978595
_cell_length_b 5.81978595
_cell_length_c 11.884633370000001
_cell_angle_alpha 90.00003437
_cell_angle_beta 89.999961
_cell_angle_gamma 119.99998843
_spac... |
InsertBetweenAtomsAction | f63a3d6d-433d-409e-96ae-3351700d8261 | mp-1204107 | Insert a Ag atom in the line between atoms at indices 14 and 34, and the inserted atom must be 2.81 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Al8Fe4Si10O36
_chemical_formula_sum "Al8 Fe4 Si10 O36"
_cell_length_a 10.03890181
_cell_length_b 10.03890181
_cell_length_c 9.408538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.72560159
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Al8Fe4Si10O36Ag
_chemical_formula_sum "Al8 Fe4 Si10 O36 Ag1"
_cell_length_a 10.03890181
_cell_length_b 10.03890181
_cell_length_c 9.408538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.72560159
_space_group_nam... |
InsertBetweenAtomsAction | 0e6bbc81-94df-476b-8f0c-746fdb3932ec | mp-1019708 | Insert a Ag atom in the line between atoms at indices 5 and 33, and the inserted atom must be 0.90 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O28
_chemical_formula_sum "Cs4 Ba4 Li4 P8 O28"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Cs4Ba4Li4P8O28Ag
_chemical_formula_sum "Cs4 Ba4 Li4 P8 O28 Ag1"
_cell_length_a 10.984387
_cell_length_b 7.180708
_cell_length_c 10.881365589999998
_cell_angle_alpha 74.43818744
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
InsertBetweenAtomsAction | f5ffed5d-dbe1-400c-9784-0c023607ee33 | mp-1033689 | Insert a Er atom in the line between atoms at indices 4 and 11, and the inserted atom must be 0.49 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural RbMg6BO7
_chemical_formula_sum "Rb1 Mg6 B1 O7"
_cell_length_a 4.038395
_cell_length_b 4.038395
_cell_length_c 12.807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural RbMg6BO7Er
_chemical_formula_sum "Rb1 Mg6 B1 O7 Er1"
_cell_length_a 4.038395
_cell_length_b 4.038395
_cell_length_c 12.807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
InsertBetweenAtomsAction | 32027dfe-6080-4805-abcb-01a1d9822a83 | mp-1224552 | Insert a Ra atom in the line between atoms at indices 5 and 0, and the inserted atom must be 4.35 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ho4NiSn8
_chemical_formula_sum "Ho4 Ni1 Sn8"
_cell_length_a 4.390995
_cell_length_b 4.397435
_cell_length_c 16.888049
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Ho4NiSn8Ra
_chemical_formula_sum "Ho4 Ni1 Sn8 Ra1"
_cell_length_a 4.390995
_cell_length_b 4.397435
_cell_length_c 16.888049
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | 1e7e06c5-aa7e-42fe-8e62-4674053da851 | mp-34195 | Insert a Ba atom in the line between atoms at indices 9 and 4, and the inserted atom must be 1.73 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ba2C2O6
_chemical_formula_sum "Ba2 C2 O6"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba2C2O6Ba
_chemical_formula_sum "Ba3 C2 O6"
_cell_length_a 5.434419
_cell_length_b 4.657328
_cell_length_c 6.15233539
_cell_angle_alpha 76.3642405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | c5d51b49-4dbe-4778-ba84-c7718236a1b8 | mp-761916 | Insert a Y atom in the line between atoms at indices 21 and 3, and the inserted atom must be 9.36 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Na4H16Au4Br16O8
_chemical_formula_sum "Na4 H16 Au4 Br16 O8"
_cell_length_a 7.60692
_cell_length_b 9.490718
_cell_length_c 13.416992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4H16Au4Br16O8Y
_chemical_formula_sum "Na4 H16 Au4 Br16 O8 Y1"
_cell_length_a 7.60692
_cell_length_b 9.490718
_cell_length_c 13.416992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 5952dcad-d7f7-41db-bb57-849383668a4d | mp-1359845 | Insert a Lv atom in the line between atoms at indices 13 and 7, and the inserted atom must be 0.85 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Ca2Cu4P8O28
_chemical_formula_sum "Ca2 Cu4 P8 O28"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_group_n... | data_image0
_chemical_formula_structural Ca2Cu4P8O28Lv
_chemical_formula_sum "Ca2 Cu4 P8 O28 Lv1"
_cell_length_a 5.418871
_cell_length_b 7.99159957
_cell_length_c 12.87680247
_cell_angle_alpha 90.19229106
_cell_angle_beta 93.55514976
_cell_angle_gamma 90.21367313
_space_g... |
InsertBetweenAtomsAction | 8f06e09e-da7f-4954-ac29-f641fd21c829 | mp-1202862 | Insert a Am atom in the line between atoms at indices 1 and 20, and the inserted atom must be 4.10 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Co4S12N12O8
_chemical_formula_sum "Co4 S12 N12 O8"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Co4S12N12O8Am
_chemical_formula_sum "Co4 S12 N12 O8 Am1"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 5509876c-21b2-43b1-acc5-1ad8b3918c83 | mp-2715503 | Insert a Ni atom in the line between atoms at indices 75 and 26, and the inserted atom must be 3.03 angstrom from atom at 75 in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48Ni
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48 Ni1"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0... |
InsertBetweenAtomsAction | 9d7440d9-6c49-4029-9182-f34b0a41b612 | mp-1100683 | Insert a B atom in the line between atoms at indices 14 and 16, and the inserted atom must be 1.83 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 7.7159323
_cell_length_b 7.7159322999999995
_cell_length_c 5.83132204
_cell_angle_alpha 68.16691333
_cell_angle_beta 68.16691333
_cell_angle_gamma 96.14700931
_spa... | data_image0
_chemical_formula_structural Li9Mn2Co5O16B
_chemical_formula_sum "Li9 Mn2 Co5 O16 B1"
_cell_length_a 7.7159323
_cell_length_b 7.7159322999999995
_cell_length_c 5.83132204
_cell_angle_alpha 68.16691333
_cell_angle_beta 68.16691333
_cell_angle_gamma 96.14700931
... |
InsertBetweenAtomsAction | d3e07aef-00d8-4458-959c-5389d02422e7 | mp-559738 | Insert a Fe atom in the line between atoms at indices 58 and 36, and the inserted atom must be 3.36 angstrom from atom at 58 in the cif file. | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... | data_image0
_chemical_formula_structural Sb8S8N8Cl40Fe
_chemical_formula_sum "Sb8 S8 N8 Cl40 Fe1"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000... |
InsertBetweenAtomsAction | b1284597-44f7-4cd8-932a-0a9840f48919 | mp-754011 | Insert a Ag atom in the line between atoms at indices 6 and 1, and the inserted atom must be 2.29 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li2Bi6O12
_chemical_formula_sum "Li2 Bi6 O12"
_cell_length_a 6.72808738
_cell_length_b 6.728087380000001
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.14724735999998
_cell_angle_gamma 93.14... | data_image0
_chemical_formula_structural Li2Bi6O12Ag
_chemical_formula_sum "Li2 Bi6 O12 Ag1"
_cell_length_a 6.72808738
_cell_length_b 6.728087380000001
_cell_length_c 6.728087590000001
_cell_angle_alpha 93.14724735999998
_cell_angle_beta 93.14724735999998
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 9efa9e51-10ea-4933-ae11-6342a6f45143 | mp-555534 | Insert a Br atom in the line between atoms at indices 3 and 12, and the inserted atom must be 4.43 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural K8Mn2Mo8O30
_chemical_formula_sum "K8 Mn2 Mo8 O30"
_cell_length_a 10.5685905
_cell_length_b 10.5685905
_cell_length_c 8.35687
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000312999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K8Mn2Mo8O30Br
_chemical_formula_sum "K8 Mn2 Mo8 O30 Br1"
_cell_length_a 10.5685905
_cell_length_b 10.5685905
_cell_length_c 8.35687
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000312999998
_space_group_name... |
InsertBetweenAtomsAction | 404f9e5f-ffd3-47df-8049-c7199d65517d | mp-1228731 | Insert a Nb atom in the line between atoms at indices 42 and 2, and the inserted atom must be 8.43 angstrom from atom at 42 in the cif file. | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O32"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.11374492
... | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32Nb
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O32 Nb1"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.1137... |
InsertBetweenAtomsAction | 6ad659e8-64a0-45e2-b09d-255a23cc9b24 | mp-1405776 | Insert a Ts atom in the line between atoms at indices 9 and 8, and the inserted atom must be 2.49 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural La2VZnO6
_chemical_formula_sum "La2 V1 Zn1 O6"
_cell_length_a 5.53529803
_cell_length_b 5.53529803
_cell_length_c 5.53529736
_cell_angle_alpha 61.57173501999999
_cell_angle_beta 61.57173501999999
_cell_angle_gamma 61.571734660000004... | data_image0
_chemical_formula_structural La2VZnO6Ts
_chemical_formula_sum "La2 V1 Zn1 O6 Ts1"
_cell_length_a 5.53529803
_cell_length_b 5.53529803
_cell_length_c 5.53529736
_cell_angle_alpha 61.57173501999999
_cell_angle_beta 61.57173501999999
_cell_angle_gamma 61.571734660... |
InsertBetweenAtomsAction | bf3070ac-2913-42d3-b844-4236bb536078 | mp-765679 | Insert a W atom in the line between atoms at indices 21 and 15, and the inserted atom must be 1.07 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Na5Ni6O12
_chemical_formula_sum "Na5 Ni6 O12"
_cell_length_a 5.90590272
_cell_length_b 6.77917068
_cell_length_c 6.824543950000001
_cell_angle_alpha 66.79941026
_cell_angle_beta 76.6802411
_cell_angle_gamma 66.93232418
_space_group... | data_image0
_chemical_formula_structural Na5Ni6O12W
_chemical_formula_sum "Na5 Ni6 O12 W1"
_cell_length_a 5.90590272
_cell_length_b 6.77917068
_cell_length_c 6.824543950000001
_cell_angle_alpha 66.79941026
_cell_angle_beta 76.6802411
_cell_angle_gamma 66.93232418
_space_g... |
InsertBetweenAtomsAction | 68689e9c-79a6-4348-9084-0e17694cc5e4 | mp-753408 | Insert a Ge atom in the line between atoms at indices 1 and 4, and the inserted atom must be 6.16 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural K2Li2Co2O4
_chemical_formula_sum "K2 Li2 Co2 O4"
_cell_length_a 5.71086211
_cell_length_b 5.71086211
_cell_length_c 8.36646467
_cell_angle_alpha 60.928591699999984
_cell_angle_beta 60.928591699999984
_cell_angle_gamma 34.51888808
_... | data_image0
_chemical_formula_structural K2Li2Co2O4Ge
_chemical_formula_sum "K2 Li2 Co2 O4 Ge1"
_cell_length_a 5.71086211
_cell_length_b 5.71086211
_cell_length_c 8.36646467
_cell_angle_alpha 60.928591699999984
_cell_angle_beta 60.928591699999984
_cell_angle_gamma 34.51888... |
InsertBetweenAtomsAction | dd442149-ec52-4318-9c93-e29602a686be | mp-771174 | Insert a Hg atom in the line between atoms at indices 15 and 4, and the inserted atom must be 7.41 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 Ba8B8O20Hg
_chemical_formula_sum "Ba8 B8 O20 Hg1"
_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 | 04092860-e695-4785-b09c-9c56eb94239f | mp-8877 | Insert a Tm atom in the line between atoms at indices 11 and 12, and the inserted atom must be 2.14 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Sr4Al6SO12
_chemical_formula_sum "Sr4 Al6 S1 O12"
_cell_length_a 8.09501311
_cell_length_b 8.09501311
_cell_length_c 8.09501311
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Sr4Al6SO12Tm
_chemical_formula_sum "Sr4 Al6 S1 O12 Tm1"
_cell_length_a 8.09501311
_cell_length_b 8.09501311
_cell_length_c 8.09501311
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_spac... |
InsertBetweenAtomsAction | 0858739c-d111-4539-9dd9-b4e1906b1f06 | mp-26157 | Insert a Os atom in the line between atoms at indices 30 and 16, and the inserted atom must be 3.96 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Li4Sb4P16O48
_chemical_formula_sum "Li4 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li4Sb4P16O48Os
_chemical_formula_sum "Li4 Sb4 P16 O48 Os1"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | 1f3854ab-3eef-439b-83e1-fdf186b34097 | mp-11321 | Insert a Hg atom in the line between atoms at indices 1 and 16, and the inserted atom must be 2.05 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 Y6Ta2O14Hg
_chemical_formula_sum "Y6 Ta2 O14 Hg1"
_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 | a43d95cf-22fb-4671-b230-e307f3276339 | mp-1026795 | Insert a Al atom in the line between atoms at indices 9 and 15, and the inserted atom must be 0.43 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural LiMg14W
_chemical_formula_sum "Li1 Mg14 W1"
_cell_length_a 6.29929991
_cell_length_b 6.299299410000001
_cell_length_c 9.95323684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural LiMg14WAl
_chemical_formula_sum "Li1 Mg14 W1 Al1"
_cell_length_a 6.29929991
_cell_length_b 6.299299410000001
_cell_length_c 9.95323684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000267
_space_group_name_H-... |
InsertBetweenAtomsAction | 7a805ef5-cc13-4838-b56e-0cc7416fa7eb | mp-1522139 | Insert a Db atom in the line between atoms at indices 7 and 3, and the inserted atom must be 1.14 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ca2HfZrO6
_chemical_formula_sum "Ca2 Hf1 Zr1 O6"
_cell_length_a 5.84477636
_cell_length_b 5.844776360000001
_cell_length_c 5.844776360000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60... | data_image0
_chemical_formula_structural Ca2HfZrO6Db
_chemical_formula_sum "Ca2 Hf1 Zr1 O6 Db1"
_cell_length_a 5.84477636
_cell_length_b 5.844776360000001
_cell_length_c 5.844776360000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma... |
InsertBetweenAtomsAction | d9b75096-8bc9-431b-a19f-69ddc34e3255 | mp-13456 | Insert a Pm atom in the line between atoms at indices 0 and 5, and the inserted atom must be 0.51 angstrom from atom at 0 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 Zn5S5Pm
_chemical_formula_sum "Zn5 S5 Pm1"
_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 | 0e52fedb-d669-428c-a983-56d1f11fa382 | mp-1519755 | Insert a S atom in the line between atoms at indices 8 and 3, and the inserted atom must be 0.47 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural SrSmEuVO6
_chemical_formula_sum "Sr1 Sm1 Eu1 V1 O6"
_cell_length_a 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 5.848314359999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural SrSmEuVO6S
_chemical_formula_sum "Sr1 Sm1 Eu1 V1 O6 S1"
_cell_length_a 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 5.848314359999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_ga... |
InsertBetweenAtomsAction | 743cae26-b9e2-4224-a37e-9e20ea019a48 | mp-1234210 | Insert a Cd atom in the line between atoms at indices 11 and 15, and the inserted atom must be 6.62 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural MgP4Br12O4
_chemical_formula_sum "Mg1 P4 Br12 O4"
_cell_length_a 6.36628657
_cell_length_b 11.02611279
_cell_length_c 11.38689833
_cell_angle_alpha 89.53519106
_cell_angle_beta 90.22452353
_cell_angle_gamma 98.58385999000001
_space... | data_image0
_chemical_formula_structural MgP4Br12O4Cd
_chemical_formula_sum "Mg1 P4 Br12 O4 Cd1"
_cell_length_a 6.36628657
_cell_length_b 11.02611279
_cell_length_c 11.38689833
_cell_angle_alpha 89.53519106
_cell_angle_beta 90.22452353
_cell_angle_gamma 98.58385999000001
... |
InsertBetweenAtomsAction | f64c31fc-81c8-4bd5-9ca6-3a126b6b2198 | mp-1208324 | Insert a U atom in the line between atoms at indices 5 and 15, and the inserted atom must be 1.20 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ti8Al12
_chemical_formula_sum "Ti8 Al12"
_cell_length_a 6.118791
_cell_length_b 6.118791
_cell_length_c 10.29645148
_cell_angle_alpha 107.28537181
_cell_angle_beta 107.28537181
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ti8Al12U
_chemical_formula_sum "Ti8 Al12 U1"
_cell_length_a 6.118791
_cell_length_b 6.118791
_cell_length_c 10.29645148
_cell_angle_alpha 107.28537181
_cell_angle_beta 107.28537181
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | fa8b6bcc-3ded-4ed3-a5e8-9ee4990407dc | mp-759254 | Insert a Kr atom in the line between atoms at indices 55 and 3, and the inserted atom must be 12.15 angstrom from atom at 55 in the cif file. | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... | data_image0
_chemical_formula_structural Li2Bi8P14O48Kr
_chemical_formula_sum "Li2 Bi8 P14 O48 Kr1"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86... |
InsertBetweenAtomsAction | 9c6986b4-5c01-4605-84d0-7a55ae80960e | mp-1209288 | Insert a Sn atom in the line between atoms at indices 6 and 7, and the inserted atom must be 2.60 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Pr4Te4As4
_chemical_formula_sum "Pr4 Te4 As4"
_cell_length_a 4.16353513
_cell_length_b 7.82507677
_cell_length_c 10.30957707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Pr4Te4As4Sn
_chemical_formula_sum "Pr4 Te4 As4 Sn1"
_cell_length_a 4.16353513
_cell_length_b 7.82507677
_cell_length_c 10.30957707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 8533b7db-628e-4378-b0a6-a2c531788166 | mp-1110828 | Insert a Ag atom in the line between atoms at indices 5 and 6, and the inserted atom must be 2.13 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural K2NaTaF6
_chemical_formula_sum "K2 Na1 Ta1 F6"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999319999... | data_image0
_chemical_formula_structural K2NaTaF6Ag
_chemical_formula_sum "K2 Na1 Ta1 F6 Ag1"
_cell_length_a 6.15114607
_cell_length_b 6.151146169999999
_cell_length_c 6.1511461700000005
_cell_angle_alpha 59.99999951
_cell_angle_beta 59.99999932
_cell_angle_gamma 59.999999... |
InsertBetweenAtomsAction | ecd7f9a3-27c9-4dc4-a4ee-f8ee4ef47548 | mp-20547 | Insert a Si atom in the line between atoms at indices 22 and 20, and the inserted atom must be 1.76 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Ca4Fe8O16
_chemical_formula_sum "Ca4 Fe8 O16"
_cell_length_a 3.02567488
_cell_length_b 9.24346216
_cell_length_c 10.72256921
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Ca4Fe8O16Si
_chemical_formula_sum "Ca4 Fe8 O16 Si1"
_cell_length_a 3.02567488
_cell_length_b 9.24346216
_cell_length_c 10.72256921
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | ed375efe-d2bd-4747-8192-b0aa97833e4a | mp-1197546 | Insert a He atom in the line between atoms at indices 1 and 7, and the inserted atom must be 1.53 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ca4Cu4As4O20
_chemical_formula_sum "Ca4 Cu4 As4 O20"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Ca4Cu4As4O20He
_chemical_formula_sum "Ca4 Cu4 As4 O20 He1"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | c4bb3536-a4ab-4deb-83b3-a63ecc13ffce | mp-1214189 | Insert a Pm atom in the line between atoms at indices 10 and 13, and the inserted atom must be 4.09 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Be6Si6C8S2O24
_chemical_formula_sum "Be6 Si6 C8 S2 O24"
_cell_length_a 8.021437
_cell_length_b 8.021437
_cell_length_c 8.021437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Be6Si6C8S2O24Pm
_chemical_formula_sum "Be6 Si6 C8 S2 O24 Pm1"
_cell_length_a 8.021437
_cell_length_b 8.021437
_cell_length_c 8.021437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 58e244e5-d364-4f45-9aed-5c1edcf35f72 | mp-1113048 | Insert a Kr atom in the line between atoms at indices 0 and 9, and the inserted atom must be 1.85 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Cs2RbAlF6
_chemical_formula_sum "Cs2 Rb1 Al1 F6"
_cell_length_a 5.98039244
_cell_length_b 5.98039226
_cell_length_c 5.98039226
_cell_angle_alpha 60.00000076999999
_cell_angle_beta 60.000001140000016
_cell_angle_gamma 60.00000117
_s... | data_image0
_chemical_formula_structural Cs2RbAlF6Kr
_chemical_formula_sum "Cs2 Rb1 Al1 F6 Kr1"
_cell_length_a 5.98039244
_cell_length_b 5.98039226
_cell_length_c 5.98039226
_cell_angle_alpha 60.00000076999999
_cell_angle_beta 60.000001140000016
_cell_angle_gamma 60.000001... |
InsertBetweenAtomsAction | 68ade8a5-cff2-45b6-a24e-54dc17f155f8 | mp-760927 | Insert a Cd atom in the line between atoms at indices 10 and 25, and the inserted atom must be 0.73 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Na4Ti4P4O20
_chemical_formula_sum "Na4 Ti4 P4 O20"
_cell_length_a 6.547784
_cell_length_b 7.496283
_cell_length_c 7.817011
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Na4Ti4P4O20Cd
_chemical_formula_sum "Na4 Ti4 P4 O20 Cd1"
_cell_length_a 6.547784
_cell_length_b 7.496283
_cell_length_c 7.817011
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 7eff3f71-0b61-4e0c-a710-cee135275e4a | mp-1539446 | Insert a Pa atom in the line between atoms at indices 11 and 2, and the inserted atom must be 1.43 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Cs4Pt2Cl8
_chemical_formula_sum "Cs4 Pt2 Cl8"
_cell_length_a 7.44671597
_cell_length_b 7.4467158
_cell_length_c 9.47830816
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.98841345999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4Pt2Cl8Pa
_chemical_formula_sum "Cs4 Pt2 Cl8 Pa1"
_cell_length_a 7.44671597
_cell_length_b 7.4467158
_cell_length_c 9.47830816
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.98841345999999
_space_group_name_H-M... |
InsertBetweenAtomsAction | 444b1225-0518-4d7e-8e3c-6845d1521d2d | mp-580962 | Insert a Rb atom in the line between atoms at indices 6 and 11, and the inserted atom must be 3.80 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Rb2C4I6N4
_chemical_formula_sum "Rb2 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Rb2C4I6N4Rb
_chemical_formula_sum "Rb3 C4 I6 N4"
_cell_length_a 4.612451
_cell_length_b 7.362252
_cell_length_c 16.094826
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
InsertBetweenAtomsAction | 45e4a378-43fc-43ee-af51-d654243e6a46 | mp-1207936 | Insert a Po atom in the line between atoms at indices 55 and 27, and the inserted atom must be 3.76 angstrom from atom at 55 in the cif file. | data_image0
_chemical_formula_structural V4B4P8N4O36
_chemical_formula_sum "V4 B4 P8 N4 O36"
_cell_length_a 8.412787
_cell_length_b 9.477069
_cell_length_c 9.56597293
_cell_angle_alpha 75.74640795
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural V4B4P8N4O36Po
_chemical_formula_sum "V4 B4 P8 N4 O36 Po1"
_cell_length_a 8.412787
_cell_length_b 9.477069
_cell_length_c 9.56597293
_cell_angle_alpha 75.74640795
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 0b858f1f-5168-4ae4-bcb5-af1a3cd15af2 | mp-1112206 | Insert a Cf atom in the line between atoms at indices 2 and 6, and the inserted atom must be 1.27 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural K2GaHgI6
_chemical_formula_sum "K2 Ga1 Hg1 I6"
_cell_length_a 8.40003965
_cell_length_b 8.40003965
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural K2GaHgI6Cf
_chemical_formula_sum "K2 Ga1 Hg1 I6 Cf1"
_cell_length_a 8.40003965
_cell_length_b 8.40003965
_cell_length_c 8.40003965
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... |
InsertBetweenAtomsAction | f133b927-9e17-4c30-a2ec-6d4055f3b90b | mp-763659 | Insert a Cd atom in the line between atoms at indices 10 and 13, and the inserted atom must be 2.38 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li3V2Fe2O8
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_spac... | data_image0
_chemical_formula_structural Li3V2Fe2O8Cd
_chemical_formula_sum "Li3 V2 Fe2 O8 Cd1"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
... |
InsertBetweenAtomsAction | 5f1fd938-f84a-4979-b0f2-0b3ce5a649cf | mp-1033833 | Insert a Cd atom in the line between atoms at indices 2 and 12, and the inserted atom must be 3.09 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... | data_image0
_chemical_formula_structural CsRbMg6O7Cd
_chemical_formula_sum "Cs1 Rb1 Mg6 O7 Cd1"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_gr... |
InsertBetweenAtomsAction | 9a573668-8048-491e-a17b-c018a63b034a | mp-1238696 | Insert a Ac atom in the line between atoms at indices 14 and 82, and the inserted atom must be 2.02 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Fe4H40S8N16O32
_chemical_formula_sum "Fe4 H40 S8 N16 O32"
_cell_length_a 8.51289682
_cell_length_b 11.98523831
_cell_length_c 9.362529659999998
_cell_angle_alpha 89.0593966
_cell_angle_beta 102.58209187
_cell_angle_gamma 92.48701985... | data_image0
_chemical_formula_structural Fe4H40S8N16O32Ac
_chemical_formula_sum "Fe4 H40 S8 N16 O32 Ac1"
_cell_length_a 8.51289682
_cell_length_b 11.98523831
_cell_length_c 9.362529659999998
_cell_angle_alpha 89.0593966
_cell_angle_beta 102.58209187
_cell_angle_gamma 92.48... |
InsertBetweenAtomsAction | 83333489-cd7a-44bc-93c6-46276dc13896 | mp-1098369 | Insert a V atom in the line between atoms at indices 39 and 37, and the inserted atom must be 1.61 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mg30TiCrO32V
_chemical_formula_sum "Mg30 Ti1 Cr1 O32 V1"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 5f42ced2-aafe-4c87-9775-0c261f17ae29 | mp-1212504 | Insert a Rn atom in the line between atoms at indices 59 and 79, and the inserted atom must be 2.47 angstrom from atom at 59 in the cif file. | data_image0
_chemical_formula_structural Nd8P12H20W4O36
_chemical_formula_sum "Nd8 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Nd8P12H20W4O36Rn
_chemical_formula_sum "Nd8 P12 H20 W4 O36 Rn1"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
InsertBetweenAtomsAction | 7a15e5c2-236c-4b8c-80be-95b5f7007e04 | mp-755878 | Insert a Cm atom in the line between atoms at indices 16 and 7, and the inserted atom must be 0.79 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 5.54772546
_cell_length_b 5.83613003
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cu6OF11Cm
_chemical_formula_sum "Cu6 O1 F11 Cm1"
_cell_length_a 5.54772546
_cell_length_b 5.83613003
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group_na... |
InsertBetweenAtomsAction | a3258021-ce64-4995-8b4d-3e323b050bc8 | mp-1044845 | Insert a B atom in the line between atoms at indices 17 and 22, and the inserted atom must be 4.27 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Ba6Al3Fe6F33
_chemical_formula_sum "Ba6 Al3 Fe6 F33"
_cell_length_a 7.44947064
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_space_group_name_H... | data_image0
_chemical_formula_structural Ba6Al3Fe6F33B
_chemical_formula_sum "Ba6 Al3 Fe6 F33 B1"
_cell_length_a 7.44947064
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_space_group_na... |
InsertBetweenAtomsAction | a0b9737b-c99d-4c0b-914b-95f40d33316c | mp-1221954 | Insert a Be atom in the line between atoms at indices 1 and 4, and the inserted atom must be 4.53 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural MgTi2ZnO6
_chemical_formula_sum "Mg1 Ti2 Zn1 O6"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54.98787... | data_image0
_chemical_formula_structural MgTi2ZnO6Be
_chemical_formula_sum "Mg1 Ti2 Zn1 O6 Be1"
_cell_length_a 5.53855859
_cell_length_b 5.53855859
_cell_length_c 5.538558959999999
_cell_angle_alpha 54.98787810999999
_cell_angle_beta 54.987878110000004
_cell_angle_gamma 54... |
InsertBetweenAtomsAction | 5426ce64-5d77-4f3f-b852-47d3597321e6 | mp-2231016 | Insert a Pu atom in the line between atoms at indices 1 and 13, and the inserted atom must be 0.94 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural MgFe6O7F5
_chemical_formula_sum "Mg1 Fe6 O7 F5"
_cell_length_a 5.23093221
_cell_length_b 5.189853770000001
_cell_length_c 8.8565157
_cell_angle_alpha 86.86399567999999
_cell_angle_beta 92.12704567999998
_cell_angle_gamma 102.3567853... | data_image0
_chemical_formula_structural MgFe6O7F5Pu
_chemical_formula_sum "Mg1 Fe6 O7 F5 Pu1"
_cell_length_a 5.23093221
_cell_length_b 5.189853770000001
_cell_length_c 8.8565157
_cell_angle_alpha 86.86399567999999
_cell_angle_beta 92.12704567999998
_cell_angle_gamma 102.3... |
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