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 | ad470c53-20c4-485d-aac1-cc9b682de2c6 | mp-1191384 | Insert a Cn atom in the line between atoms at indices 2 and 19, and the inserted atom must be 1.57 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ca4B8H12
_chemical_formula_sum "Ca4 B8 H12"
_cell_length_a 3.639707
_cell_length_b 3.54837387
_cell_length_c 16.44897779
_cell_angle_alpha 90.92026841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca4B8H12Cn
_chemical_formula_sum "Ca4 B8 H12 Cn1"
_cell_length_a 3.639707
_cell_length_b 3.54837387
_cell_length_c 16.44897779
_cell_angle_alpha 90.92026841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 02071ab0-ef33-48eb-ad3c-224424e80994 | mp-1213000 | Insert a Cm atom in the line between atoms at indices 10 and 11, and the inserted atom must be 0.95 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Eu2Ag2W4O16
_chemical_formula_sum "Eu2 Ag2 W4 O16"
_cell_length_a 7.55169242
_cell_length_b 7.551692420000001
_cell_length_c 7.4675343
_cell_angle_alpha 65.51367922
_cell_angle_beta 65.51367922
_cell_angle_gamma 94.10381862
_space_... | data_image0
_chemical_formula_structural Eu2Ag2W4O16Cm
_chemical_formula_sum "Eu2 Ag2 W4 O16 Cm1"
_cell_length_a 7.55169242
_cell_length_b 7.551692420000001
_cell_length_c 7.4675343
_cell_angle_alpha 65.51367922
_cell_angle_beta 65.51367922
_cell_angle_gamma 94.10381862
_... |
InsertBetweenAtomsAction | ec424526-74f3-4979-816a-001609f36ad5 | mp-989551 | Insert a Cf atom in the line between atoms at indices 0 and 7, and the inserted atom must be 1.76 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural LiTl2InF6
_chemical_formula_sum "Li1 Tl2 In1 F6"
_cell_length_a 6.05849797
_cell_length_b 6.05849797
_cell_length_c 6.05849797
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural LiTl2InF6Cf
_chemical_formula_sum "Li1 Tl2 In1 F6 Cf1"
_cell_length_a 6.05849797
_cell_length_b 6.05849797
_cell_length_c 6.05849797
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
InsertBetweenAtomsAction | 7a8d3390-d89b-4737-b295-83b90df5383d | mp-779858 | Insert a Hs atom in the line between atoms at indices 8 and 12, and the inserted atom must be 2.67 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Sm12Nb4O28
_chemical_formula_sum "Sm12 Nb4 O28"
_cell_length_a 7.6038
_cell_length_b 7.722814
_cell_length_c 10.832305
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Sm12Nb4O28Hs
_chemical_formula_sum "Sm12 Nb4 O28 Hs1"
_cell_length_a 7.6038
_cell_length_b 7.722814
_cell_length_c 10.832305
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | 22d26b2f-168f-4837-86b8-61ba8aaa3ebd | mp-1022594 | Insert a Sn atom in the line between atoms at indices 8 and 0, and the inserted atom must be 4.06 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Mg12Zn2Ga2
_chemical_formula_sum "Mg12 Zn2 Ga2"
_cell_length_a 4.935307
_cell_length_b 6.310967
_cell_length_c 10.63879
_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 Mg12Zn2Ga2Sn
_chemical_formula_sum "Mg12 Zn2 Ga2 Sn1"
_cell_length_a 4.935307
_cell_length_b 6.310967
_cell_length_c 10.63879
_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 | de967912-c0ec-445d-bcea-ba54495de3e9 | mp-2226940 | Insert a Fl atom in the line between atoms at indices 8 and 14, and the inserted atom must be 2.07 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural MgZn2Ni4O8
_chemical_formula_sum "Mg1 Zn2 Ni4 O8"
_cell_length_a 6.24496673
_cell_length_b 5.848643550000001
_cell_length_c 5.85074879
_cell_angle_alpha 59.87032730000001
_cell_angle_beta 61.83354084
_cell_angle_gamma 61.98039920000... | data_image0
_chemical_formula_structural MgZn2Ni4O8Fl
_chemical_formula_sum "Mg1 Zn2 Ni4 O8 Fl1"
_cell_length_a 6.24496673
_cell_length_b 5.848643550000001
_cell_length_c 5.85074879
_cell_angle_alpha 59.87032730000001
_cell_angle_beta 61.83354084
_cell_angle_gamma 61.98039... |
InsertBetweenAtomsAction | 22981b2e-d592-4fda-99a6-20e094132cbe | mp-1226097 | Insert a S atom in the line between atoms at indices 17 and 14, and the inserted atom must be 1.15 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Cr6Co2CuSe12
_chemical_formula_sum "Cr6 Co2 Cu1 Se12"
_cell_length_a 6.6299315
_cell_length_b 6.6299315
_cell_length_c 17.09676531
_cell_angle_alpha 78.33097976
_cell_angle_beta 78.33097976
_cell_angle_gamma 32.12505987
_space_grou... | data_image0
_chemical_formula_structural Cr6Co2CuSe12S
_chemical_formula_sum "Cr6 Co2 Cu1 Se12 S1"
_cell_length_a 6.6299315
_cell_length_b 6.6299315
_cell_length_c 17.09676531
_cell_angle_alpha 78.33097976
_cell_angle_beta 78.33097976
_cell_angle_gamma 32.12505987
_space_... |
InsertBetweenAtomsAction | 7a7c65aa-e861-4775-8fd5-491f469da60c | mp-1523289 | Insert a Np atom in the line between atoms at indices 2 and 10, and the inserted atom must be 3.76 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... | data_image0
_chemical_formula_structural BaCaSn4O12Np
_chemical_formula_sum "Ba1 Ca1 Sn4 O12 Np1"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_g... |
InsertBetweenAtomsAction | 68654ac5-1d27-41ad-828f-5b0727755315 | mp-1206898 | Insert a Co atom in the line between atoms at indices 9 and 4, and the inserted atom must be 0.52 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Y4In2Ge4
_chemical_formula_sum "Y4 In2 Ge4"
_cell_length_a 4.164073
_cell_length_b 7.434116
_cell_length_c 7.434116
_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 Y4In2Ge4Co
_chemical_formula_sum "Y4 In2 Ge4 Co1"
_cell_length_a 4.164073
_cell_length_b 7.434116
_cell_length_c 7.434116
_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 | b9c309bc-a090-4a80-b78d-d2963ed50344 | mp-1214060 | Insert a No atom in the line between atoms at indices 1 and 18, and the inserted atom must be 1.95 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ca2Mg10P6H2C2O32
_chemical_formula_sum "Ca2 Mg10 P6 H2 C2 O32"
_cell_length_a 6.385735
_cell_length_b 8.7735602
_cell_length_c 10.933108059999999
_cell_angle_alpha 94.93399089
_cell_angle_beta 100.99475019
_cell_angle_gamma 93.15584... | data_image0
_chemical_formula_structural Ca2Mg10P6H2C2O32No
_chemical_formula_sum "Ca2 Mg10 P6 H2 C2 O32 No1"
_cell_length_a 6.385735
_cell_length_b 8.7735602
_cell_length_c 10.933108059999999
_cell_angle_alpha 94.93399089
_cell_angle_beta 100.99475019
_cell_angle_gamma 93... |
InsertBetweenAtomsAction | 13ec526a-f3e5-404d-894b-52189abbdcef | mp-558681 | Insert a Sb atom in the line between atoms at indices 10 and 22, and the inserted atom must be 0.40 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_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 P8Cl8O8F16Sb
_chemical_formula_sum "P8 Cl8 O8 F16 Sb1"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | bfeeb35b-b61e-4dba-8d36-ac3c41fd03c8 | mp-1196193 | Insert a Li atom in the line between atoms at indices 44 and 30, and the inserted atom must be 1.65 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural FeSn4H24C8Se10N2
_chemical_formula_sum "Fe1 Sn4 H24 C8 Se10 N2"
_cell_length_a 11.01614547
_cell_length_b 11.01614547
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_beta 123.33029273
_cell_angle_gamma 84.32248... | data_image0
_chemical_formula_structural FeSn4H24C8Se10N2Li
_chemical_formula_sum "Fe1 Sn4 H24 C8 Se10 N2 Li1"
_cell_length_a 11.01614547
_cell_length_b 11.01614547
_cell_length_c 11.01614547
_cell_angle_alpha 123.33029273
_cell_angle_beta 123.33029273
_cell_angle_gamma 84... |
InsertBetweenAtomsAction | cec8b3fb-9828-425d-8ed3-d21dd81e3a50 | mp-510581 | Insert a Db atom in the line between atoms at indices 0 and 6, and the inserted atom must be 6.62 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Pr2Ni2Sn2H4
_chemical_formula_sum "Pr2 Ni2 Sn2 H4"
_cell_length_a 4.41130012
_cell_length_b 4.41130012
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr2Ni2Sn2H4Db
_chemical_formula_sum "Pr2 Ni2 Sn2 H4 Db1"
_cell_length_a 4.41130012
_cell_length_b 4.41130012
_cell_length_c 8.566317
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000177
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 30d78223-f814-4bb6-ba5e-569ec09e9aa0 | mp-862893 | Insert a Ni atom in the line between atoms at indices 23 and 3, and the inserted atom must be 11.52 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Th3Nb12O36
_chemical_formula_sum "Th3 Nb12 O36"
_cell_length_a 11.97588008
_cell_length_b 11.97588008
_cell_length_c 11.97588008
_cell_angle_alpha 152.94345047
_cell_angle_beta 96.08688022
_cell_angle_gamma 90.19512719
_space_group... | data_image0
_chemical_formula_structural Th3Nb12O36Ni
_chemical_formula_sum "Th3 Nb12 O36 Ni1"
_cell_length_a 11.97588008
_cell_length_b 11.97588008
_cell_length_c 11.97588008
_cell_angle_alpha 152.94345047
_cell_angle_beta 96.08688022
_cell_angle_gamma 90.19512719
_space... |
InsertBetweenAtomsAction | 54734b02-1874-4a40-b66d-53f851d97682 | mp-1205145 | Insert a Tc atom in the line between atoms at indices 39 and 54, and the inserted atom must be 1.25 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_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 Na8Ti4Si16H8O52Tc
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52 Tc1"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 4f70f5a9-e0ef-4b94-9515-995b9147f387 | mp-768771 | Insert a Ra atom in the line between atoms at indices 5 and 3, and the inserted atom must be 1.45 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li12Bi4B8O24
_chemical_formula_sum "Li12 Bi4 B8 O24"
_cell_length_a 9.188294
_cell_length_b 5.32128
_cell_length_c 12.005007730000003
_cell_angle_alpha 65.01187173
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li12Bi4B8O24Ra
_chemical_formula_sum "Li12 Bi4 B8 O24 Ra1"
_cell_length_a 9.188294
_cell_length_b 5.32128
_cell_length_c 12.005007730000003
_cell_angle_alpha 65.01187173
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | f9da57aa-f343-4849-8166-79eded0a444e | mp-1205906 | Insert a Ga atom in the line between atoms at indices 7 and 2, and the inserted atom must be 4.35 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural K2Mn2I2O12
_chemical_formula_sum "K2 Mn2 I2 O12"
_cell_length_a 5.12804591
_cell_length_b 5.12804591
_cell_length_c 12.256575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K2Mn2I2O12Ga
_chemical_formula_sum "K2 Mn2 I2 O12 Ga1"
_cell_length_a 5.12804591
_cell_length_b 5.12804591
_cell_length_c 12.256575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_name... |
InsertBetweenAtomsAction | 1c3b6720-a553-4ae0-a4ef-3680117000e5 | mp-1211461 | Insert a B atom in the line between atoms at indices 18 and 26, and the inserted atom must be 2.67 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural K4Li4Dy4F20
_chemical_formula_sum "K4 Li4 Dy4 F20"
_cell_length_a 6.43494672
_cell_length_b 6.26276227
_cell_length_c 11.66117988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.58188199999998
_space_group_name_H... | data_image0
_chemical_formula_structural K4Li4Dy4F20B
_chemical_formula_sum "K4 Li4 Dy4 F20 B1"
_cell_length_a 6.43494672
_cell_length_b 6.26276227
_cell_length_c 11.66117988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.58188199999998
_space_group_na... |
InsertBetweenAtomsAction | 540a6fdc-b434-48e9-8d40-a4a767a6969c | mp-2824 | Insert a Cr atom in the line between atoms at indices 0 and 10, and the inserted atom must be 0.95 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Al4Pd8
_chemical_formula_sum "Al4 Pd8"
_cell_length_a 4.07169292
_cell_length_b 5.41975902
_cell_length_c 7.81286848
_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 Al4Pd8Cr
_chemical_formula_sum "Al4 Pd8 Cr1"
_cell_length_a 4.07169292
_cell_length_b 5.41975902
_cell_length_c 7.81286848
_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 | 4166b5ad-a59d-4aba-9c46-c77d92d33bc5 | mp-1046251 | Insert a Bh atom in the line between atoms at indices 7 and 1, and the inserted atom must be 0.70 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta4Zn4W2O16Bh
_chemical_formula_sum "Ta4 Zn4 W2 O16 Bh1"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_s... |
InsertBetweenAtomsAction | dfa14c7d-36e4-42ca-9da2-dd9daf5cceb1 | mp-754378 | Insert a W atom in the line between atoms at indices 4 and 13, and the inserted atom must be 0.87 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 6.08297738
_cell_length_b 5.97776458
_cell_length_c 5.977791540000001
_cell_angle_alpha 90.21968224999999
_cell_angle_beta 60.204871139999995
_cell_angle_gamma 119.79534081
_... | data_image0
_chemical_formula_structural Li2V6O8W
_chemical_formula_sum "Li2 V6 O8 W1"
_cell_length_a 6.08297738
_cell_length_b 5.97776458
_cell_length_c 5.977791540000001
_cell_angle_alpha 90.21968224999999
_cell_angle_beta 60.204871139999995
_cell_angle_gamma 119.7953408... |
InsertBetweenAtomsAction | 5e8d0a79-cd66-4639-a925-0bf676657d21 | mp-17446 | Insert a Hs atom in the line between atoms at indices 2 and 21, and the inserted atom must be 4.66 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Pr4Pt4F28
_chemical_formula_sum "Pr4 Pt4 F28"
_cell_length_a 5.55250346
_cell_length_b 9.16738669
_cell_length_c 12.29216205
_cell_angle_alpha 61.48286727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Pr4Pt4F28Hs
_chemical_formula_sum "Pr4 Pt4 F28 Hs1"
_cell_length_a 5.55250346
_cell_length_b 9.16738669
_cell_length_c 12.29216205
_cell_angle_alpha 61.48286727
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | a9be3e21-b407-4302-87d8-821719303ee6 | mp-1079383 | Insert a Es atom in the line between atoms at indices 5 and 3, and the inserted atom must be 2.09 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ce4In2Cu4
_chemical_formula_sum "Ce4 In2 Cu4"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Ce4In2Cu4Es
_chemical_formula_sum "Ce4 In2 Cu4 Es1"
_cell_length_a 8.380093
_cell_length_b 8.380093
_cell_length_c 3.154539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | 19bbd6c1-dce3-4912-bf22-63647ce8377e | mp-2223616 | Insert a U atom in the line between atoms at indices 5 and 7, and the inserted atom must be 0.79 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural MgCuH4O2F2
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.4292979... | data_image0
_chemical_formula_structural MgCuH4O2F2U
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2 U1"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.429... |
InsertBetweenAtomsAction | 904e5954-35fc-4ace-9764-62d10088e01f | mp-757276 | Insert a Cd atom in the line between atoms at indices 25 and 37, and the inserted atom must be 2.47 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Li6Ti4P6O24
_chemical_formula_sum "Li6 Ti4 P6 O24"
_cell_length_a 4.96862546
_cell_length_b 4.96862546
_cell_length_c 18.6147344
_cell_angle_alpha 89.63124619
_cell_angle_beta 89.63124619
_cell_angle_gamma 66.84018246
_space_group_... | data_image0
_chemical_formula_structural Li6Ti4P6O24Cd
_chemical_formula_sum "Li6 Ti4 P6 O24 Cd1"
_cell_length_a 4.96862546
_cell_length_b 4.96862546
_cell_length_c 18.6147344
_cell_angle_alpha 89.63124619
_cell_angle_beta 89.63124619
_cell_angle_gamma 66.84018246
_space_... |
InsertBetweenAtomsAction | 03bc3f3b-9f7f-4ebc-be8e-2eb11024abc2 | mp-1199851 | Insert a Yb atom in the line between atoms at indices 30 and 32, and the inserted atom must be 0.53 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Er4C12O32
_chemical_formula_sum "Er4 C12 O32"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Er4C12O32Yb
_chemical_formula_sum "Er4 C12 O32 Yb1"
_cell_length_a 7.231529
_cell_length_b 8.885058
_cell_length_c 12.686882
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | 31519ba8-9ff8-45be-8917-a09f57c8be3f | mp-760314 | Insert a Lu atom in the line between atoms at indices 17 and 28, and the inserted atom must be 4.01 angstrom from atom at 17 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 V6O5F19Lu
_chemical_formula_sum "V6 O5 F19 Lu1"
_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 | 31d6c91f-76ee-4840-bb3f-adf982ffc23b | mp-1219511 | Insert a Pm atom in the line between atoms at indices 13 and 4, and the inserted atom must be 0.94 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Sb4O16
_chemical_formula_sum "Sb4 O16"
_cell_length_a 7.37775671
_cell_length_b 7.377756709999999
_cell_length_c 7.37775671
_cell_angle_alpha 120.42942317
_cell_angle_beta 119.88450821
_cell_angle_gamma 89.72899265999999
_space_gro... | data_image0
_chemical_formula_structural Sb4O16Pm
_chemical_formula_sum "Sb4 O16 Pm1"
_cell_length_a 7.37775671
_cell_length_b 7.377756709999999
_cell_length_c 7.37775671
_cell_angle_alpha 120.42942317
_cell_angle_beta 119.88450821
_cell_angle_gamma 89.72899265999999
_spa... |
InsertBetweenAtomsAction | fa96a8d0-a1bb-40ce-b0a4-c79d0c19bcc0 | mp-1235023 | Insert a Cl atom in the line between atoms at indices 12 and 3, and the inserted atom must be 4.08 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... | data_image0
_chemical_formula_structural LiZn2Fe4O8Cl
_chemical_formula_sum "Li1 Zn2 Fe4 O8 Cl1"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703... |
InsertBetweenAtomsAction | c0738ce3-419c-46ee-9b5b-17e0e66215fc | mp-1276828 | Insert a F atom in the line between atoms at indices 16 and 23, and the inserted atom must be 4.28 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Sr4La4Co4O16
_chemical_formula_sum "Sr4 La4 Co4 O16"
_cell_length_a 3.8627761
_cell_length_b 15.026006669999997
_cell_length_c 6.829179679999999
_cell_angle_alpha 80.67448944999998
_cell_angle_beta 106.36904066999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr4La4Co4O16F
_chemical_formula_sum "Sr4 La4 Co4 O16 F1"
_cell_length_a 3.8627761
_cell_length_b 15.026006669999997
_cell_length_c 6.829179679999999
_cell_angle_alpha 80.67448944999998
_cell_angle_beta 106.36904066999999
_cell_angle_ga... |
InsertBetweenAtomsAction | fa9e8f7d-8597-495f-98d0-5de72ad8e9f8 | mp-1224390 | Insert a K atom in the line between atoms at indices 9 and 8, and the inserted atom must be 3.81 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural HfAu9
_chemical_formula_sum "Hf1 Au9"
_cell_length_a 5.0602821
_cell_length_b 5.0602821
_cell_length_c 9.40062687
_cell_angle_alpha 88.11660357
_cell_angle_beta 88.11660357
_cell_angle_gamma 47.58412455
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural HfAu9K
_chemical_formula_sum "Hf1 Au9 K1"
_cell_length_a 5.0602821
_cell_length_b 5.0602821
_cell_length_c 9.40062687
_cell_angle_alpha 88.11660357
_cell_angle_beta 88.11660357
_cell_angle_gamma 47.58412455
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 69298dfb-363b-4b13-a806-25cda75571cf | mp-776479 | Insert a Ge atom in the line between atoms at indices 19 and 5, and the inserted atom must be 5.02 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Ba8Y8I40
_chemical_formula_sum "Ba8 Y8 I40"
_cell_length_a 11.742243
_cell_length_b 13.92138
_cell_length_c 20.307581560000003
_cell_angle_alpha 51.23487621000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ba8Y8I40Ge
_chemical_formula_sum "Ba8 Y8 I40 Ge1"
_cell_length_a 11.742243
_cell_length_b 13.92138
_cell_length_c 20.307581560000003
_cell_angle_alpha 51.23487621000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | 969a6859-d7f8-40ce-9b78-71e74942a2d5 | mp-9855 | Insert a Au atom in the line between atoms at indices 11 and 6, and the inserted atom must be 0.53 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural K2Hf2Cu2S6
_chemical_formula_sum "K2 Hf2 Cu2 S6"
_cell_length_a 3.732264
_cell_length_b 7.390573709999999
_cell_length_c 9.762009
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 104.62559602000002
_space_group_name_H... | data_image0
_chemical_formula_structural K2Hf2Cu2S6Au
_chemical_formula_sum "K2 Hf2 Cu2 S6 Au1"
_cell_length_a 3.732264
_cell_length_b 7.390573709999999
_cell_length_c 9.762009
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 104.62559602000002
_space_group_... |
InsertBetweenAtomsAction | 3d4b714b-30e3-46b2-b36a-4671c05d417f | mp-2240631 | Insert a Rb atom in the line between atoms at indices 2 and 7, and the inserted atom must be 0.87 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.46033923
_cell_length_b 2.9798687099999994
_cell_length_c 6.017675279999999
_cell_angle_alpha 91.69648976
_cell_angle_beta 101.10467135
_cell_angle_gamma 76.95590099
... | data_image0
_chemical_formula_structural MgTiCo2O6Rb
_chemical_formula_sum "Mg1 Ti1 Co2 O6 Rb1"
_cell_length_a 6.46033923
_cell_length_b 2.9798687099999994
_cell_length_c 6.017675279999999
_cell_angle_alpha 91.69648976
_cell_angle_beta 101.10467135
_cell_angle_gamma 76.955... |
InsertBetweenAtomsAction | 1bf5d835-fbba-43b5-967d-0e6a1aeac61b | mp-1223327 | Insert a Rf atom in the line between atoms at indices 7 and 4, and the inserted atom must be 2.53 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural La4C2O10
_chemical_formula_sum "La4 C2 O10"
_cell_length_a 4.09957479
_cell_length_b 4.09957479
_cell_length_c 15.98046
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.24407791
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural La4C2O10Rf
_chemical_formula_sum "La4 C2 O10 Rf1"
_cell_length_a 4.09957479
_cell_length_b 4.09957479
_cell_length_c 15.98046
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.24407791
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | dfac8e81-5e82-42a4-b0cd-1c6bb4bc1330 | mp-20461 | Insert a Ni atom in the line between atoms at indices 5 and 2, and the inserted atom must be 1.35 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ba2Pb2O6
_chemical_formula_sum "Ba2 Pb2 O6"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
_space... | data_image0
_chemical_formula_structural Ba2Pb2O6Ni
_chemical_formula_sum "Ba2 Pb2 O6 Ni1"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
... |
InsertBetweenAtomsAction | d6e58960-d56f-4925-8ecc-ac7935b47450 | mp-738612 | Insert a Sn atom in the line between atoms at indices 68 and 61, and the inserted atom must be 2.05 angstrom from atom at 68 in the cif file. | data_image0
_chemical_formula_structural Zn2H32C6N16O14
_chemical_formula_sum "Zn2 H32 C6 N16 O14"
_cell_length_a 8.21034901
_cell_length_b 8.210349010000002
_cell_length_c 10.52835642
_cell_angle_alpha 67.70202015
_cell_angle_beta 67.70202015
_cell_angle_gamma 83.08920301... | data_image0
_chemical_formula_structural Zn2H32C6N16O14Sn
_chemical_formula_sum "Zn2 H32 C6 N16 O14 Sn1"
_cell_length_a 8.21034901
_cell_length_b 8.210349010000002
_cell_length_c 10.52835642
_cell_angle_alpha 67.70202015
_cell_angle_beta 67.70202015
_cell_angle_gamma 83.08... |
InsertBetweenAtomsAction | 1bb8ae43-83a3-4082-a41c-a0ffc892e167 | mp-1192032 | Insert a Lr atom in the line between atoms at indices 6 and 13, and the inserted atom must be 5.56 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural NaSr3Be3B3O9F4
_chemical_formula_sum "Na1 Sr3 Be3 B3 O9 F4"
_cell_length_a 6.76163682
_cell_length_b 6.761636819999999
_cell_length_c 6.76163698
_cell_angle_alpha 103.68584915
_cell_angle_beta 103.68584915
_cell_angle_gamma 103.6858... | data_image0
_chemical_formula_structural NaSr3Be3B3O9F4Lr
_chemical_formula_sum "Na1 Sr3 Be3 B3 O9 F4 Lr1"
_cell_length_a 6.76163682
_cell_length_b 6.761636819999999
_cell_length_c 6.76163698
_cell_angle_alpha 103.68584915
_cell_angle_beta 103.68584915
_cell_angle_gamma 10... |
InsertBetweenAtomsAction | 5648e475-9cee-4739-bcf2-2517a61e43eb | mp-1203429 | Insert a Ta atom in the line between atoms at indices 2 and 23, and the inserted atom must be 3.66 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Tm8B24Os4
_chemical_formula_sum "Tm8 B24 Os4"
_cell_length_a 3.61183316
_cell_length_b 9.05426635
_cell_length_c 11.41713141
_cell_angle_alpha 90.00000214
_cell_angle_beta 90.00000165
_cell_angle_gamma 89.99999971
_space_group_name... | data_image0
_chemical_formula_structural Tm8B24Os4Ta
_chemical_formula_sum "Tm8 B24 Os4 Ta1"
_cell_length_a 3.61183316
_cell_length_b 9.05426635
_cell_length_c 11.41713141
_cell_angle_alpha 90.00000214
_cell_angle_beta 90.00000165
_cell_angle_gamma 89.99999971
_space_grou... |
InsertBetweenAtomsAction | 2167e068-84ef-4128-b247-d55a562f7e87 | mp-1101765 | Insert a Np atom in the line between atoms at indices 1 and 9, and the inserted atom must be 5.84 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Bi4Rh4Se4
_chemical_formula_sum "Bi4 Rh4 Se4"
_cell_length_a 6.34286969
_cell_length_b 6.34286969
_cell_length_c 6.34286969
_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 Bi4Rh4Se4Np
_chemical_formula_sum "Bi4 Rh4 Se4 Np1"
_cell_length_a 6.34286969
_cell_length_b 6.34286969
_cell_length_c 6.34286969
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 2ea81738-5621-44cc-b4fe-b89feedfdea9 | mp-21286 | Insert a Er atom in the line between atoms at indices 7 and 9, and the inserted atom must be 1.48 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mn4Co4Ge4
_chemical_formula_sum "Mn4 Co4 Ge4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn4Co4Ge4Er
_chemical_formula_sum "Mn4 Co4 Ge4 Er1"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 2b313c58-9d85-4e37-8906-badb5b914baa | mp-31027 | Insert a Pt atom in the line between atoms at indices 22 and 24, and the inserted atom must be 5.73 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Sc12Re8Si16
_chemical_formula_sum "Sc12 Re8 Si16"
_cell_length_a 10.15633872
_cell_length_b 10.15633872
_cell_length_c 13.69314321
_cell_angle_alpha 55.95864628999999
_cell_angle_beta 55.95864628999999
_cell_angle_gamma 30.586560140... | data_image0
_chemical_formula_structural Sc12Re8Si16Pt
_chemical_formula_sum "Sc12 Re8 Si16 Pt1"
_cell_length_a 10.15633872
_cell_length_b 10.15633872
_cell_length_c 13.69314321
_cell_angle_alpha 55.95864628999999
_cell_angle_beta 55.95864628999999
_cell_angle_gamma 30.586... |
InsertBetweenAtomsAction | b662d613-acf6-4985-b8ed-a6c3b02b3c42 | mp-1219272 | Insert a Y atom in the line between atoms at indices 13 and 23, and the inserted atom must be 2.28 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... | data_image0
_chemical_formula_structural Sm4CrFe33C4Y
_chemical_formula_sum "Sm4 Cr1 Fe33 C4 Y1"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_g... |
InsertBetweenAtomsAction | 483f5a2f-9c70-4a9b-b20e-c2551a6fe5c5 | mp-1191177 | Insert a Fm atom in the line between atoms at indices 15 and 13, and the inserted atom must be 0.72 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Tb4Co14B6
_chemical_formula_sum "Tb4 Co14 B6"
_cell_length_a 5.03978762
_cell_length_b 5.03749468
_cell_length_c 12.725759999999998
_cell_angle_alpha 89.99993873
_cell_angle_beta 90.00011549
_cell_angle_gamma 120.0150517
_space_gro... | data_image0
_chemical_formula_structural Tb4Co14B6Fm
_chemical_formula_sum "Tb4 Co14 B6 Fm1"
_cell_length_a 5.03978762
_cell_length_b 5.03749468
_cell_length_c 12.725759999999998
_cell_angle_alpha 89.99993873
_cell_angle_beta 90.00011549
_cell_angle_gamma 120.0150517
_spa... |
InsertBetweenAtomsAction | 2e941506-ddba-4e9c-98df-226f57357bbb | mp-753244 | Insert a Lu atom in the line between atoms at indices 22 and 21, and the inserted atom must be 1.41 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Li2Mn4F18
_chemical_formula_sum "Li2 Mn4 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space_group... | data_image0
_chemical_formula_structural Li2Mn4F18Lu
_chemical_formula_sum "Li2 Mn4 F18 Lu1"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space... |
InsertBetweenAtomsAction | a74fd2e2-f215-4a3d-9aab-d7b3b1452214 | mp-600039 | Insert a Tm atom in the line between atoms at indices 54 and 66, and the inserted atom must be 1.65 angstrom from atom at 54 in the cif file. | data_image0
_chemical_formula_structural Si24O48
_chemical_formula_sum "Si24 O48"
_cell_length_a 15.8848319
_cell_length_b 9.52246335
_cell_length_c 8.55610682
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Si24O48Tm
_chemical_formula_sum "Si24 O48 Tm1"
_cell_length_a 15.8848319
_cell_length_b 9.52246335
_cell_length_c 8.55610682
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | 3e33a7c6-3a54-43f9-885c-dfec88d7d616 | mp-19488 | Insert a Ge atom in the line between atoms at indices 26 and 29, and the inserted atom must be 3.29 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Rb8Mn4S4O16F12
_chemical_formula_sum "Rb8 Mn4 S4 O16 F12"
_cell_length_a 11.366418
_cell_length_b 7.482206
_cell_length_c 8.94542962
_cell_angle_alpha 86.77934557999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Rb8Mn4S4O16F12Ge
_chemical_formula_sum "Rb8 Mn4 S4 O16 F12 Ge1"
_cell_length_a 11.366418
_cell_length_b 7.482206
_cell_length_c 8.94542962
_cell_angle_alpha 86.77934557999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
InsertBetweenAtomsAction | 98d25e96-7cc4-4bf8-a9cc-6e2958dbf03b | mp-1211033 | Insert a Re atom in the line between atoms at indices 14 and 1, and the inserted atom must be 0.71 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... | data_image0
_chemical_formula_structural Lu12In2Fe3Re
_chemical_formula_sum "Lu12 In2 Fe3 Re1"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_... |
InsertBetweenAtomsAction | 5c6ba213-90dd-4a92-b41b-28575d9ac635 | mp-1206399 | Insert a I atom in the line between atoms at indices 3 and 8, and the inserted atom must be 1.50 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Rb2LiVCl6
_chemical_formula_sum "Rb2 Li1 V1 Cl6"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_name... | data_image0
_chemical_formula_structural Rb2LiVCl6I
_chemical_formula_sum "Rb2 Li1 V1 Cl6 I1"
_cell_length_a 7.12508199
_cell_length_b 7.125081989999999
_cell_length_c 6.076225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999987000001
_space_group_... |
InsertBetweenAtomsAction | 2c01d8b6-1f4f-480c-9d01-86ce0b17c221 | mp-11321 | Insert a Sc atom in the line between atoms at indices 0 and 12, and the inserted atom must be 1.06 angstrom from atom at 0 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 Y6Ta2O14Sc
_chemical_formula_sum "Y6 Ta2 O14 Sc1"
_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 | 66cd088c-b920-4626-b033-bce7c9109e9c | mp-555706 | Insert a Co atom in the line between atoms at indices 9 and 7, and the inserted atom must be 2.69 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li4Al4Si4H8O20
_chemical_formula_sum "Li4 Al4 Si4 H8 O20"
_cell_length_a 4.796556
_cell_length_b 9.028016
_cell_length_c 11.744496
_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 Li4Al4Si4H8O20Co
_chemical_formula_sum "Li4 Al4 Si4 H8 O20 Co1"
_cell_length_a 4.796556
_cell_length_b 9.028016
_cell_length_c 11.744496
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | ca4f3bdf-1fd7-431e-874f-71d05fca239a | mp-19489 | Insert a Bk atom in the line between atoms at indices 62 and 57, and the inserted atom must be 3.12 angstrom from atom at 62 in the cif file. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B20O40Bk
_chemical_formula_sum "Sm4 Co4 B20 O40 Bk1"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 1ca47be7-5868-4c75-9d11-c47aa08c28ca | mp-556233 | Insert a Al atom in the line between atoms at indices 0 and 3, and the inserted atom must be 1.07 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural KAs4ClO6
_chemical_formula_sum "K1 As4 Cl1 O6"
_cell_length_a 5.25328503
_cell_length_b 5.25328503
_cell_length_c 8.94578662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001252000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural KAs4ClO6Al
_chemical_formula_sum "K1 As4 Cl1 O6 Al1"
_cell_length_a 5.25328503
_cell_length_b 5.25328503
_cell_length_c 8.94578662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001252000001
_space_group_name_... |
InsertBetweenAtomsAction | 89eaf431-c63e-4581-93ee-3622760dd7f5 | mp-650121 | Insert a In atom in the line between atoms at indices 30 and 13, and the inserted atom must be 0.89 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Li12Se6O24
_chemical_formula_sum "Li12 Se6 O24"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_group_nam... | data_image0
_chemical_formula_structural Li12Se6O24In
_chemical_formula_sum "Li12 Se6 O24 In1"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_gro... |
InsertBetweenAtomsAction | 0de0ebf9-84fd-4901-adf4-1452a334df80 | mp-1245725 | Insert a Cr atom in the line between atoms at indices 17 and 6, and the inserted atom must be 1.94 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Sr12Ni8N16
_chemical_formula_sum "Sr12 Ni8 N16"
_cell_length_a 5.86012
_cell_length_b 9.996389
_cell_length_c 9.445696
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Sr12Ni8N16Cr
_chemical_formula_sum "Sr12 Ni8 N16 Cr1"
_cell_length_a 5.86012
_cell_length_b 9.996389
_cell_length_c 9.445696
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | 95c82638-506c-46f8-ab31-65742a27b830 | mp-1173734 | Insert a Cr atom in the line between atoms at indices 30 and 33, and the inserted atom must be 1.84 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural NaCa3Fe4Si8O24
_chemical_formula_sum "Na1 Ca3 Fe4 Si8 O24"
_cell_length_a 7.70031409
_cell_length_b 7.700314089999999
_cell_length_c 9.98506993
_cell_angle_alpha 62.79150036
_cell_angle_beta 62.79150036
_cell_angle_gamma 72.03905514... | data_image0
_chemical_formula_structural NaCa3Fe4Si8O24Cr
_chemical_formula_sum "Na1 Ca3 Fe4 Si8 O24 Cr1"
_cell_length_a 7.70031409
_cell_length_b 7.700314089999999
_cell_length_c 9.98506993
_cell_angle_alpha 62.79150036
_cell_angle_beta 62.79150036
_cell_angle_gamma 72.03... |
InsertBetweenAtomsAction | ad6b8dac-000d-406b-9ed6-ddead030c52a | mp-542830 | Insert a Tl atom in the line between atoms at indices 22 and 21, and the inserted atom must be 3.88 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Mn23C6
_chemical_formula_sum "Mn23 C6"
_cell_length_a 7.42191675
_cell_length_b 7.42191123
_cell_length_c 7.42190135
_cell_angle_alpha 60.00005357000002
_cell_angle_beta 60.00007819000001
_cell_angle_gamma 60.001147960000004
_space... | data_image0
_chemical_formula_structural Mn23C6Tl
_chemical_formula_sum "Mn23 C6 Tl1"
_cell_length_a 7.42191675
_cell_length_b 7.42191123
_cell_length_c 7.42190135
_cell_angle_alpha 60.00005357000002
_cell_angle_beta 60.00007819000001
_cell_angle_gamma 60.001147960000004
... |
InsertBetweenAtomsAction | fe6b82d5-5d06-4a9d-8eeb-3aecf680c016 | mp-2230054 | Insert a N atom in the line between atoms at indices 6 and 1, and the inserted atom must be 0.73 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural MgCu6O2F10
_chemical_formula_sum "Mg1 Cu6 O2 F10"
_cell_length_a 7.94494959
_cell_length_b 5.121785429999999
_cell_length_c 5.64517934
_cell_angle_alpha 95.16250544
_cell_angle_beta 92.9587146
_cell_angle_gamma 84.02053913999998
_s... | data_image0
_chemical_formula_structural MgCu6O2F10N
_chemical_formula_sum "Mg1 Cu6 O2 F10 N1"
_cell_length_a 7.94494959
_cell_length_b 5.121785429999999
_cell_length_c 5.64517934
_cell_angle_alpha 95.16250544
_cell_angle_beta 92.9587146
_cell_angle_gamma 84.02053913999998... |
InsertBetweenAtomsAction | 62fca9d8-0761-44a2-a37c-1ce7fc7fa931 | mp-2230007 | Insert a Au atom in the line between atoms at indices 12 and 10, and the inserted atom must be 4.70 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Cs4MgTi2Ag4S8
_chemical_formula_sum "Cs4 Mg1 Ti2 Ag4 S8"
_cell_length_a 6.33906844
_cell_length_b 6.339068440000001
_cell_length_c 13.70134139
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 84.22111217
_space_group_... | data_image0
_chemical_formula_structural Cs4MgTi2Ag4S8Au
_chemical_formula_sum "Cs4 Mg1 Ti2 Ag4 S8 Au1"
_cell_length_a 6.33906844
_cell_length_b 6.339068440000001
_cell_length_c 13.70134139
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 84.22111217
_space_... |
InsertBetweenAtomsAction | 6f89e9c4-464a-4a0b-be52-570b30438f10 | mp-31230 | Insert a Kr atom in the line between atoms at indices 20 and 2, and the inserted atom must be 6.32 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Tl4Cr4O14
_chemical_formula_sum "Tl4 Cr4 O14"
_cell_length_a 7.535238
_cell_length_b 7.744585460000001
_cell_length_c 7.92364084
_cell_angle_alpha 108.10319573
_cell_angle_beta 91.47692726
_cell_angle_gamma 111.17845443000002
_spac... | data_image0
_chemical_formula_structural Tl4Cr4O14Kr
_chemical_formula_sum "Tl4 Cr4 O14 Kr1"
_cell_length_a 7.535238
_cell_length_b 7.744585460000001
_cell_length_c 7.92364084
_cell_angle_alpha 108.10319573
_cell_angle_beta 91.47692726
_cell_angle_gamma 111.17845443000002
... |
InsertBetweenAtomsAction | 5e0358de-c943-4611-94cf-479a8c13af2d | mp-849387 | Insert a Te atom in the line between atoms at indices 13 and 11, and the inserted atom must be 7.04 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_space_gro... | data_image0
_chemical_formula_structural Cu6OF11Te
_chemical_formula_sum "Cu6 O1 F11 Te1"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_spa... |
InsertBetweenAtomsAction | b4184a2b-41b9-40a7-b5e7-5f16a0428f5d | mp-1105094 | Insert a Se atom in the line between atoms at indices 14 and 12, and the inserted atom must be 6.23 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Tl4Hg4Cl12
_chemical_formula_sum "Tl4 Hg4 Cl12"
_cell_length_a 4.36965245
_cell_length_b 9.24800615
_cell_length_c 14.07342645
_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 Tl4Hg4Cl12Se
_chemical_formula_sum "Tl4 Hg4 Cl12 Se1"
_cell_length_a 4.36965245
_cell_length_b 9.24800615
_cell_length_c 14.07342645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | aad4a3b8-294c-4e39-aec3-0ff50fd2a578 | mp-676712 | Insert a La atom in the line between atoms at indices 5 and 25, and the inserted atom must be 0.97 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Re12Se12Cl12
_chemical_formula_sum "Re12 Se12 Cl12"
_cell_length_a 9.3449135
_cell_length_b 9.34516927
_cell_length_c 11.316750129999999
_cell_angle_alpha 89.99556122
_cell_angle_beta 90.00237911999999
_cell_angle_gamma 103.78862754... | data_image0
_chemical_formula_structural Re12Se12Cl12La
_chemical_formula_sum "Re12 Se12 Cl12 La1"
_cell_length_a 9.3449135
_cell_length_b 9.34516927
_cell_length_c 11.316750129999999
_cell_angle_alpha 89.99556122
_cell_angle_beta 90.00237911999999
_cell_angle_gamma 103.78... |
InsertBetweenAtomsAction | d34db4c6-aeee-4441-90fa-aa653a0834d2 | mp-1234848 | Insert a In atom in the line between atoms at indices 35 and 7, and the inserted atom must be 1.97 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural MgAg14Pb6O18
_chemical_formula_sum "Mg1 Ag14 Pb6 O18"
_cell_length_a 9.08901966
_cell_length_b 8.95184834
_cell_length_c 8.79319796
_cell_angle_alpha 72.02934903
_cell_angle_beta 106.18165753
_cell_angle_gamma 106.745119
_space_gro... | data_image0
_chemical_formula_structural MgAg14Pb6O18In
_chemical_formula_sum "Mg1 Ag14 Pb6 O18 In1"
_cell_length_a 9.08901966
_cell_length_b 8.95184834
_cell_length_c 8.79319796
_cell_angle_alpha 72.02934903
_cell_angle_beta 106.18165753
_cell_angle_gamma 106.745119
_spa... |
InsertBetweenAtomsAction | f1463d55-98fa-4ff8-8ef2-e9a11757efd0 | mp-757738 | Insert a Hf atom in the line between atoms at indices 12 and 37, and the inserted atom must be 5.29 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Fe19Co5O32
_chemical_formula_sum "Fe19 Co5 O32"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89.91677... | data_image0
_chemical_formula_structural Fe19Co5O32Hf
_chemical_formula_sum "Fe19 Co5 O32 Hf1"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89... |
InsertBetweenAtomsAction | 3fcfe7f5-a1c2-4b79-b1d0-ea422966c785 | mp-1223619 | Insert a I atom in the line between atoms at indices 49 and 41, and the inserted atom must be 2.54 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural Mg4Al4Si16O60
_chemical_formula_sum "Mg4 Al4 Si16 O60"
_cell_length_a 5.36580177
_cell_length_b 12.84649751
_cell_length_c 18.23494156
_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 Mg4Al4Si16O60I
_chemical_formula_sum "Mg4 Al4 Si16 O60 I1"
_cell_length_a 5.36580177
_cell_length_b 12.84649751
_cell_length_c 18.23494156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 7d8377f4-a5de-44ab-bb8e-33f55d3874dc | mp-23451 | Insert a Tb atom in the line between atoms at indices 9 and 18, and the inserted atom must be 7.36 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Cs6Cr4Br18
_chemical_formula_sum "Cs6 Cr4 Br18"
_cell_length_a 7.62323495
_cell_length_b 7.62327647
_cell_length_c 19.0983966
_cell_angle_alpha 90.00298197
_cell_angle_beta 89.99842621
_cell_angle_gamma 119.99949748000002
_space_gr... | data_image0
_chemical_formula_structural Cs6Cr4Br18Tb
_chemical_formula_sum "Cs6 Cr4 Br18 Tb1"
_cell_length_a 7.62323495
_cell_length_b 7.62327647
_cell_length_c 19.0983966
_cell_angle_alpha 90.00298197
_cell_angle_beta 89.99842621
_cell_angle_gamma 119.99949748000002
_sp... |
InsertBetweenAtomsAction | 49344417-1c45-446f-8fc4-242ca1f4ec79 | mp-1212741 | Insert a Cu atom in the line between atoms at indices 17 and 10, and the inserted atom must be 0.82 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Eu2Al6B8O24
_chemical_formula_sum "Eu2 Al6 B8 O24"
_cell_length_a 5.96691806
_cell_length_b 5.96691806
_cell_length_c 11.285481099999998
_cell_angle_alpha 81.50343243
_cell_angle_beta 81.50343243
_cell_angle_gamma 104.10647599
_spa... | data_image0
_chemical_formula_structural Eu2Al6B8O24Cu
_chemical_formula_sum "Eu2 Al6 B8 O24 Cu1"
_cell_length_a 5.96691806
_cell_length_b 5.96691806
_cell_length_c 11.285481099999998
_cell_angle_alpha 81.50343243
_cell_angle_beta 81.50343243
_cell_angle_gamma 104.10647599... |
InsertBetweenAtomsAction | ec445a6f-8c83-4fb2-92a5-6abca8295c77 | mp-1247150 | Insert a S atom in the line between atoms at indices 23 and 44, and the inserted atom must be 5.13 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li4Mn24N28
_chemical_formula_sum "Li4 Mn24 N28"
_cell_length_a 13.00233388
_cell_length_b 5.65481
_cell_length_c 7.95383811
_cell_angle_alpha 90.0
_cell_angle_beta 82.02367282
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Mn24N28S
_chemical_formula_sum "Li4 Mn24 N28 S1"
_cell_length_a 13.00233388
_cell_length_b 5.65481
_cell_length_c 7.95383811
_cell_angle_alpha 90.0
_cell_angle_beta 82.02367282
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | f512f6af-0763-4b7c-8660-6022a26d05c8 | mp-861587 | Insert a Na atom in the line between atoms at indices 4 and 7, and the inserted atom must be 3.37 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Pr2In8Pd
_chemical_formula_sum "Pr2 In8 Pd1"
_cell_length_a 4.71906071
_cell_length_b 4.71904568
_cell_length_c 12.291611279999998
_cell_angle_alpha 89.99592426
_cell_angle_beta 90.00111952000002
_cell_angle_gamma 90.01682849
_spac... | data_image0
_chemical_formula_structural Pr2In8PdNa
_chemical_formula_sum "Pr2 In8 Pd1 Na1"
_cell_length_a 4.71906071
_cell_length_b 4.71904568
_cell_length_c 12.291611279999998
_cell_angle_alpha 89.99592426
_cell_angle_beta 90.00111952000002
_cell_angle_gamma 90.01682849
... |
InsertBetweenAtomsAction | 5e374fbf-04a7-43b4-9c09-2228831cc2c5 | mp-1224899 | Insert a Pr atom in the line between atoms at indices 2 and 3, and the inserted atom must be 2.00 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural FeRePb2O6
_chemical_formula_sum "Fe1 Re1 Pb2 O6"
_cell_length_a 5.68562389
_cell_length_b 5.6856238900000005
_cell_length_c 5.68562389
_cell_angle_alpha 119.92988942
_cell_angle_beta 119.92988942
_cell_angle_gamma 90.12147804
_spac... | data_image0
_chemical_formula_structural FeRePb2O6Pr
_chemical_formula_sum "Fe1 Re1 Pb2 O6 Pr1"
_cell_length_a 5.68562389
_cell_length_b 5.6856238900000005
_cell_length_c 5.68562389
_cell_angle_alpha 119.92988942
_cell_angle_beta 119.92988942
_cell_angle_gamma 90.12147804
... |
InsertBetweenAtomsAction | 87b542ca-693e-485f-83d3-2f4b45f9bb9e | mp-1214585 | Insert a In atom in the line between atoms at indices 6 and 4, and the inserted atom must be 3.25 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 Ba2PrCu3O6In
_chemical_formula_sum "Ba2 Pr1 Cu3 O6 In1"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | fac4707e-d3dd-4e50-9e73-3808d5329377 | mp-557123 | Insert a Mo atom in the line between atoms at indices 43 and 28, and the inserted atom must be 7.85 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si12O32Mo
_chemical_formula_sum "Na8 Cu4 Si12 O32 Mo1"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | c5531c85-89f4-4b8a-8527-b8ade028d7ee | mp-29185 | Insert a O atom in the line between atoms at indices 13 and 11, and the inserted atom must be 2.72 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... | data_image0
_chemical_formula_structural Te4O6F4O
_chemical_formula_sum "Te4 O7 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_s... |
InsertBetweenAtomsAction | 01c2445a-5d9d-4d8d-aa09-03c27d090e10 | mp-532424 | Insert a Mn atom in the line between atoms at indices 11 and 8, and the inserted atom must be 1.52 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural K2Al22O34
_chemical_formula_sum "K2 Al22 O34"
_cell_length_a 5.64933404
_cell_length_b 5.64933404
_cell_length_c 23.20832425
_cell_angle_alpha 83.2237268
_cell_angle_beta 83.2237268
_cell_angle_gamma 60.13413613
_space_group_name_H... | data_image0
_chemical_formula_structural K2Al22O34Mn
_chemical_formula_sum "K2 Al22 O34 Mn1"
_cell_length_a 5.64933404
_cell_length_b 5.64933404
_cell_length_c 23.20832425
_cell_angle_alpha 83.2237268
_cell_angle_beta 83.2237268
_cell_angle_gamma 60.13413613
_space_group_... |
InsertBetweenAtomsAction | 40fee995-1028-4138-9561-5476df0d96c4 | mp-976118 | Insert a Cf atom in the line between atoms at indices 8 and 15, and the inserted atom must be 7.11 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Hg2H12I6N2O2
_chemical_formula_sum "Hg2 H12 I6 N2 O2"
_cell_length_a 7.38594597
_cell_length_b 7.38594597
_cell_length_c 9.046789620000002
_cell_angle_alpha 88.57508227
_cell_angle_beta 88.57508227
_cell_angle_gamma 81.43844644
_sp... | data_image0
_chemical_formula_structural Hg2H12I6N2O2Cf
_chemical_formula_sum "Hg2 H12 I6 N2 O2 Cf1"
_cell_length_a 7.38594597
_cell_length_b 7.38594597
_cell_length_c 9.046789620000002
_cell_angle_alpha 88.57508227
_cell_angle_beta 88.57508227
_cell_angle_gamma 81.4384464... |
InsertBetweenAtomsAction | 1b1e5338-0690-4c58-b135-e91377758a21 | mp-1218673 | Insert a Ag atom in the line between atoms at indices 2 and 26, and the inserted atom must be 9.41 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Sr4Zn51
_chemical_formula_sum "Sr4 Zn51"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 33.9046... | data_image0
_chemical_formula_structural Sr4Zn51Ag
_chemical_formula_sum "Sr4 Zn51 Ag1"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 3... |
InsertBetweenAtomsAction | 28c0847d-2c85-4770-b0f1-a07d51da2d8b | mp-1189919 | Insert a Kr atom in the line between atoms at indices 9 and 3, and the inserted atom must be 0.22 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li3P3O12
_chemical_formula_sum "Li3 P3 O12"
_cell_length_a 7.48802157
_cell_length_b 7.48802157
_cell_length_c 7.488021340000001
_cell_angle_alpha 114.25624954000001
_cell_angle_beta 114.25624954
_cell_angle_gamma 114.25623792
_spa... | data_image0
_chemical_formula_structural Li3P3O12Kr
_chemical_formula_sum "Li3 P3 O12 Kr1"
_cell_length_a 7.48802157
_cell_length_b 7.48802157
_cell_length_c 7.488021340000001
_cell_angle_alpha 114.25624954000001
_cell_angle_beta 114.25624954
_cell_angle_gamma 114.25623792... |
InsertBetweenAtomsAction | 9ddaa66c-253d-43bb-afe4-0b0a1d33bb94 | mp-558681 | Insert a Md atom in the line between atoms at indices 35 and 22, and the inserted atom must be 2.41 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_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 P8Cl8O8F16Md
_chemical_formula_sum "P8 Cl8 O8 F16 Md1"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 9c341303-0e95-42d4-94a6-da6d39739d11 | mp-542012 | Insert a Si atom in the line between atoms at indices 9 and 23, and the inserted atom must be 11.27 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Rb8Hf6S28
_chemical_formula_sum "Rb8 Hf6 S28"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... | data_image0
_chemical_formula_structural Rb8Hf6S28Si
_chemical_formula_sum "Rb8 Hf6 S28 Si1"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma... |
InsertBetweenAtomsAction | 97dd19ca-3a31-45a8-b89f-5888ffe00a41 | mp-19489 | Insert a Ts atom in the line between atoms at indices 33 and 41, and the inserted atom must be 2.35 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Sm4Co4B20O40
_chemical_formula_sum "Sm4 Co4 B20 O40"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4Co4B20O40Ts
_chemical_formula_sum "Sm4 Co4 B20 O40 Ts1"
_cell_length_a 7.654513
_cell_length_b 8.746298
_cell_length_c 9.469615910000002
_cell_angle_alpha 86.99432535
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 8684de4e-c584-4428-bf9e-5f58cdca8cac | mp-24402 | Insert a Es atom in the line between atoms at indices 14 and 22, and the inserted atom must be 0.99 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Ca4Al4Si4H4O20
_chemical_formula_sum "Ca4 Al4 Si4 H4 O20"
_cell_length_a 5.751519
_cell_length_b 7.119977
_cell_length_c 8.605031
_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 Ca4Al4Si4H4O20Es
_chemical_formula_sum "Ca4 Al4 Si4 H4 O20 Es1"
_cell_length_a 5.751519
_cell_length_b 7.119977
_cell_length_c 8.605031
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | feb06a20-b422-4ad4-b0a1-9541972b162b | mp-861061 | Insert a H atom in the line between atoms at indices 4 and 5, and the inserted atom must be 1.13 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li4Si6Ni6O20
_chemical_formula_sum "Li4 Si6 Ni6 O20"
_cell_length_a 8.18177174
_cell_length_b 8.18177174
_cell_length_c 10.22695143
_cell_angle_alpha 86.90636598
_cell_angle_beta 86.90636598
_cell_angle_gamma 33.921792270000005
_sp... | data_image0
_chemical_formula_structural Li4Si6Ni6O20H
_chemical_formula_sum "Li4 Si6 Ni6 O20 H1"
_cell_length_a 8.18177174
_cell_length_b 8.18177174
_cell_length_c 10.22695143
_cell_angle_alpha 86.90636598
_cell_angle_beta 86.90636598
_cell_angle_gamma 33.921792270000005
... |
InsertBetweenAtomsAction | 2431b756-464c-42b5-9c0d-24c852f2ed29 | mp-572465 | Insert a Cu atom in the line between atoms at indices 8 and 15, and the inserted atom must be 3.44 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P8S24Cu
_chemical_formula_sum "Cr4 Cu5 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | bd926abf-cff0-4f6f-8271-686c347c7bc1 | mp-1044027 | Insert a Ac atom in the line between atoms at indices 13 and 5, and the inserted atom must be 0.73 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Ca2La2Fe2W2O12
_chemical_formula_sum "Ca2 La2 Fe2 W2 O12"
_cell_length_a 5.64050216
_cell_length_b 8.00577387
_cell_length_c 5.75555461
_cell_angle_alpha 89.84650841
_cell_angle_beta 90.76807382999999
_cell_angle_gamma 89.4459353
_... | data_image0
_chemical_formula_structural Ca2La2Fe2W2O12Ac
_chemical_formula_sum "Ca2 La2 Fe2 W2 O12 Ac1"
_cell_length_a 5.64050216
_cell_length_b 8.00577387
_cell_length_c 5.75555461
_cell_angle_alpha 89.84650841
_cell_angle_beta 90.76807382999999
_cell_angle_gamma 89.4459... |
InsertBetweenAtomsAction | cf171a1c-d16d-49b2-9e38-230e86673a51 | mp-1111119 | Insert a Pt atom in the line between atoms at indices 7 and 9, and the inserted atom must be 1.19 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural K2YInF6
_chemical_formula_sum "K2 Y1 In1 F6"
_cell_length_a 6.75247661
_cell_length_b 6.752476610000001
_cell_length_c 6.75247661
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural K2YInF6Pt
_chemical_formula_sum "K2 Y1 In1 F6 Pt1"
_cell_length_a 6.75247661
_cell_length_b 6.752476610000001
_cell_length_c 6.75247661
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
InsertBetweenAtomsAction | ae999e4e-6abb-4f21-9e3f-54784e18eadf | mp-1043709 | Insert a Cr atom in the line between atoms at indices 30 and 28, and the inserted atom must be 1.72 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Ca2Ti2Sn2P6O24
_chemical_formula_sum "Ca2 Ti2 Sn2 P6 O24"
_cell_length_a 8.98097891
_cell_length_b 8.9809792
_cell_length_c 8.98097933
_cell_angle_alpha 58.52300131
_cell_angle_beta 58.523004359999995
_cell_angle_gamma 58.5230127799... | data_image0
_chemical_formula_structural Ca2Ti2Sn2P6O24Cr
_chemical_formula_sum "Ca2 Ti2 Sn2 P6 O24 Cr1"
_cell_length_a 8.98097891
_cell_length_b 8.9809792
_cell_length_c 8.98097933
_cell_angle_alpha 58.52300131
_cell_angle_beta 58.523004359999995
_cell_angle_gamma 58.5230... |
InsertBetweenAtomsAction | b7138e33-bb19-400d-87c2-33dbae3ac43c | mp-779533 | Insert a Ni atom in the line between atoms at indices 25 and 18, and the inserted atom must be 5.54 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Ba12Br8O8
_chemical_formula_sum "Ba12 Br8 O8"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Ba12Br8O8Ni
_chemical_formula_sum "Ba12 Br8 O8 Ni1"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | 2a62835a-fa95-47a3-aa56-70f1eed6365d | mp-1227442 | Insert a Ta atom in the line between atoms at indices 1 and 6, and the inserted atom must be 0.67 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Be2BH3O5
_chemical_formula_sum "Be2 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_grou... | data_image0
_chemical_formula_structural Be2BH3O5Ta
_chemical_formula_sum "Be2 B1 H3 O5 Ta1"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_spac... |
InsertBetweenAtomsAction | 77ec7448-20a4-4283-a23d-f8a78b703ffc | mp-28481 | Insert a Kr atom in the line between atoms at indices 37 and 41, and the inserted atom must be 1.83 angstrom from atom at 37 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 Ti2Cl8O32Kr
_chemical_formula_sum "Ti2 Cl8 O32 Kr1"
_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 | 8cef9174-1783-4d2b-877c-4e5c4e3a7ceb | mp-1199329 | Insert a W atom in the line between atoms at indices 21 and 0, and the inserted atom must be 7.66 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Gd4P4H4C8O24
_chemical_formula_sum "Gd4 P4 H4 C8 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_group_... | data_image0
_chemical_formula_structural Gd4P4H4C8O24W
_chemical_formula_sum "Gd4 P4 H4 C8 O24 W1"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_gr... |
InsertBetweenAtomsAction | 5a2f6a53-3241-4751-a4b1-857229999c39 | mp-1180605 | Insert a Hf atom in the line between atoms at indices 37 and 27, and the inserted atom must be 2.94 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural Na2Al2S4O38
_chemical_formula_sum "Na2 Al2 S4 O38"
_cell_length_a 11.55504909
_cell_length_b 11.55504909
_cell_length_c 8.29750683
_cell_angle_alpha 87.88790446000002
_cell_angle_beta 87.88790446000002
_cell_angle_gamma 44.456240189... | data_image0
_chemical_formula_structural Na2Al2S4O38Hf
_chemical_formula_sum "Na2 Al2 S4 O38 Hf1"
_cell_length_a 11.55504909
_cell_length_b 11.55504909
_cell_length_c 8.29750683
_cell_angle_alpha 87.88790446000002
_cell_angle_beta 87.88790446000002
_cell_angle_gamma 44.456... |
InsertBetweenAtomsAction | 88176338-794a-498d-8702-5a64bee702da | mp-22991 | Insert a As atom in the line between atoms at indices 5 and 6, and the inserted atom must be 1.10 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Cs2V2I6
_chemical_formula_sum "Cs2 V2 I6"
_cell_length_a 8.23111885
_cell_length_b 8.23111858
_cell_length_c 6.9510579
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.98621892
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Cs2V2I6As
_chemical_formula_sum "Cs2 V2 I6 As1"
_cell_length_a 8.23111885
_cell_length_b 8.23111858
_cell_length_c 6.9510579
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.98621892
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | c0c33590-0c4c-4526-90ae-d93f8a814faa | mp-1208371 | Insert a Ge atom in the line between atoms at indices 10 and 25, and the inserted atom must be 2.00 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Tl4N8Cl20O4Ge
_chemical_formula_sum "Tl4 N8 Cl20 O4 Ge1"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 9c4ab28d-07dd-43b9-85f6-94c7eab864f1 | mp-1196536 | Insert a Lu atom in the line between atoms at indices 5 and 23, and the inserted atom must be 5.75 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Np8Se4O36
_chemical_formula_sum "Np8 Se4 O36"
_cell_length_a 6.936237
_cell_length_b 7.026773
_cell_length_c 16.16707673
_cell_angle_alpha 89.58419548
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Np8Se4O36Lu
_chemical_formula_sum "Np8 Se4 O36 Lu1"
_cell_length_a 6.936237
_cell_length_b 7.026773
_cell_length_c 16.16707673
_cell_angle_alpha 89.58419548
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 7460289d-29e3-4b36-b81b-a9962e95c5c9 | mp-1196507 | Insert a Pm atom in the line between atoms at indices 71 and 68, and the inserted atom must be 5.66 angstrom from atom at 71 in the cif file. | data_image0
_chemical_formula_structural K36Fe8O32
_chemical_formula_sum "K36 Fe8 O32"
_cell_length_a 10.56596146
_cell_length_b 10.56596146
_cell_length_c 13.58791175
_cell_angle_alpha 87.37090795
_cell_angle_beta 87.37090795
_cell_angle_gamma 76.38071799000001
_space_gr... | data_image0
_chemical_formula_structural K36Fe8O32Pm
_chemical_formula_sum "K36 Fe8 O32 Pm1"
_cell_length_a 10.56596146
_cell_length_b 10.56596146
_cell_length_c 13.58791175
_cell_angle_alpha 87.37090795
_cell_angle_beta 87.37090795
_cell_angle_gamma 76.38071799000001
_sp... |
InsertBetweenAtomsAction | 93ecb192-b974-4589-a041-6b392b3c09df | mp-34376 | Insert a Rb atom in the line between atoms at indices 7 and 0, and the inserted atom must be 1.89 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Tb4Cd2S8
_chemical_formula_sum "Tb4 Cd2 S8"
_cell_length_a 7.30690212
_cell_length_b 7.30690212
_cell_length_c 7.30690212
_cell_angle_alpha 110.44193812999998
_cell_angle_beta 110.44193812999998
_cell_angle_gamma 107.54675677
_spac... | data_image0
_chemical_formula_structural Tb4Cd2S8Rb
_chemical_formula_sum "Tb4 Cd2 S8 Rb1"
_cell_length_a 7.30690212
_cell_length_b 7.30690212
_cell_length_c 7.30690212
_cell_angle_alpha 110.44193812999998
_cell_angle_beta 110.44193812999998
_cell_angle_gamma 107.54675677
... |
InsertBetweenAtomsAction | 84bbcd92-5645-4ec4-91d4-fbae40ee4ec8 | mp-765621 | Insert a Er atom in the line between atoms at indices 0 and 20, and the inserted atom must be 5.75 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural V4F20
_chemical_formula_sum "V4 F20"
_cell_length_a 13.05659519
_cell_length_b 5.37688666
_cell_length_c 4.87872772
_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 V4F20Er
_chemical_formula_sum "V4 F20 Er1"
_cell_length_a 13.05659519
_cell_length_b 5.37688666
_cell_length_c 4.87872772
_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 | 6a13b349-3c0b-4393-babc-281e0f636437 | mp-1029491 | Insert a S atom in the line between atoms at indices 1 and 4, and the inserted atom must be 0.77 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Cs4Co4N4
_chemical_formula_sum "Cs4 Co4 N4"
_cell_length_a 3.519496
_cell_length_b 7.274685
_cell_length_c 10.533203
_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 Cs4Co4N4S
_chemical_formula_sum "Cs4 Co4 N4 S1"
_cell_length_a 3.519496
_cell_length_b 7.274685
_cell_length_c 10.533203
_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 | ecb3e6f2-e7ed-4849-a288-e45ffc4115d7 | mp-1195683 | Insert a Ir atom in the line between atoms at indices 44 and 46, and the inserted atom must be 2.50 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural Na10Lu2H8C8O28
_chemical_formula_sum "Na10 Lu2 H8 C8 O28"
_cell_length_a 7.645634
_cell_length_b 7.645634
_cell_length_c 11.670033
_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 Na10Lu2H8C8O28Ir
_chemical_formula_sum "Na10 Lu2 H8 C8 O28 Ir1"
_cell_length_a 7.645634
_cell_length_b 7.645634
_cell_length_c 11.670033
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
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