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 | 0e934345-7526-42c5-aec1-ecbd87fd3258 | mp-753328 | Insert a Tb atom in the line between atoms at indices 1 and 8, and the inserted atom must be 2.49 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li5Mn3Co2O10
_chemical_formula_sum "Li5 Mn3 Co2 O10"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_angle_gamma 99.37397549
_space_grou... | data_image0
_chemical_formula_structural Li5Mn3Co2O10Tb
_chemical_formula_sum "Li5 Mn3 Co2 O10 Tb1"
_cell_length_a 5.239821
_cell_length_b 5.25062861
_cell_length_c 7.71986622
_cell_angle_alpha 104.54293437
_cell_angle_beta 107.95901249
_cell_angle_gamma 99.37397549
_spac... |
InsertBetweenAtomsAction | 2cc20c03-61b7-4993-a469-1864fc9a1af3 | mp-19414 | Insert a Ba atom in the line between atoms at indices 1 and 11, and the inserted atom must be 2.17 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural K6Cr2O8
_chemical_formula_sum "K6 Cr2 O8"
_cell_length_a 6.14423983
_cell_length_b 8.50865562
_cell_length_c 6.14424008
_cell_angle_alpha 89.99999225
_cell_angle_beta 89.99999519
_cell_angle_gamma 89.99998945
_space_group_name_H-M_... | data_image0
_chemical_formula_structural K6Cr2O8Ba
_chemical_formula_sum "K6 Cr2 O8 Ba1"
_cell_length_a 6.14423983
_cell_length_b 8.50865562
_cell_length_c 6.14424008
_cell_angle_alpha 89.99999225
_cell_angle_beta 89.99999519
_cell_angle_gamma 89.99998945
_space_group_nam... |
InsertBetweenAtomsAction | 1eabd1e6-f05f-44e0-ba82-0b062d3d3dcc | mp-760060 | Insert a Ru atom in the line between atoms at indices 54 and 34, and the inserted atom must be 1.70 angstrom from atom at 54 in the cif file. | data_image0
_chemical_formula_structural Sb8S16O64
_chemical_formula_sum "Sb8 S16 O64"
_cell_length_a 9.379545
_cell_length_b 9.548574
_cell_length_c 14.133053
_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 Sb8S16O64Ru
_chemical_formula_sum "Sb8 S16 O64 Ru1"
_cell_length_a 9.379545
_cell_length_b 9.548574
_cell_length_c 14.133053
_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 | 939101cc-e09f-4096-b28d-fd9233c80348 | mp-760233 | Insert a Si atom in the line between atoms at indices 28 and 3, and the inserted atom must be 1.92 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Mn2CrNi3P6O24
_chemical_formula_sum "Mn2 Cr1 Ni3 P6 O24"
_cell_length_a 8.56250533
_cell_length_b 8.56250533
_cell_length_c 8.562505219999998
_cell_angle_alpha 60.58376907
_cell_angle_beta 60.58376907
_cell_angle_gamma 60.5837645
_... | data_image0
_chemical_formula_structural Mn2CrNi3P6O24Si
_chemical_formula_sum "Mn2 Cr1 Ni3 P6 O24 Si1"
_cell_length_a 8.56250533
_cell_length_b 8.56250533
_cell_length_c 8.562505219999998
_cell_angle_alpha 60.58376907
_cell_angle_beta 60.58376907
_cell_angle_gamma 60.5837... |
InsertBetweenAtomsAction | 2b5c15be-fd75-4e57-954b-1ce4c03684e1 | mp-2240560 | Insert a Mn atom in the line between atoms at indices 3 and 9, and the inserted atom must be 1.74 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgTiCo2O6Mn
_chemical_formula_sum "Mg1 Ti1 Co2 O6 Mn1"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44... |
InsertBetweenAtomsAction | 7d185e17-63e0-485e-8f96-32fc727cf29e | mp-818536 | Insert a Pr atom in the line between atoms at indices 1 and 10, and the inserted atom must be 1.36 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ce2Cr4O20
_chemical_formula_sum "Ce2 Cr4 O20"
_cell_length_a 10.921874
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ce2Cr4O20Pr
_chemical_formula_sum "Ce2 Cr4 O20 Pr1"
_cell_length_a 10.921874
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 6ecd99e2-c1f4-443e-93b7-25207fe37b71 | mp-1212516 | Insert a Cr atom in the line between atoms at indices 49 and 31, and the inserted atom must be 2.23 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural H24C4S4N12O12
_chemical_formula_sum "H24 C4 S4 N12 O12"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_group_nam... | data_image0
_chemical_formula_structural H24C4S4N12O12Cr
_chemical_formula_sum "H24 C4 S4 N12 O12 Cr1"
_cell_length_a 7.65285985
_cell_length_b 7.65285985
_cell_length_c 12.969269
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999872000001
_space_gro... |
InsertBetweenAtomsAction | 9d7716c0-a802-4479-885e-a806cc0de97f | mp-768410 | Insert a Sc atom in the line between atoms at indices 26 and 32, and the inserted atom must be 3.54 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Li6Mn2B8O18
_chemical_formula_sum "Li6 Mn2 B8 O18"
_cell_length_a 8.745581
_cell_length_b 5.817883
_cell_length_c 6.697982640000001
_cell_angle_alpha 77.50653433
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li6Mn2B8O18Sc
_chemical_formula_sum "Li6 Mn2 B8 O18 Sc1"
_cell_length_a 8.745581
_cell_length_b 5.817883
_cell_length_c 6.697982640000001
_cell_angle_alpha 77.50653433
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | fc16d00e-cbcd-4099-889b-b11f7ff6775c | mp-861170 | Insert a Md atom in the line between atoms at indices 5 and 25, and the inserted atom must be 2.05 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.16601
_cell_length_b 5.59102518
_cell_length_c 15.065638179999999
_cell_angle_alpha 84.34933135000001
_cell_angle_beta 89.81013104
_cell_angle_gamma 89.91484064
_spac... | data_image0
_chemical_formula_structural Ti5Fe11O24Md
_chemical_formula_sum "Ti5 Fe11 O24 Md1"
_cell_length_a 5.16601
_cell_length_b 5.59102518
_cell_length_c 15.065638179999999
_cell_angle_alpha 84.34933135000001
_cell_angle_beta 89.81013104
_cell_angle_gamma 89.91484064
... |
InsertBetweenAtomsAction | 7204ce82-48ef-4ee2-986d-842f11cf2498 | mp-1359845 | Insert a Pm atom in the line between atoms at indices 27 and 33, and the inserted atom must be 1.15 angstrom from atom at 27 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 Ca2Cu4P8O28Pm
_chemical_formula_sum "Ca2 Cu4 P8 O28 Pm1"
_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 | 6a454cd6-ae25-472c-bb71-b74204ac6822 | mp-1173784 | Insert a N atom in the line between atoms at indices 42 and 22, and the inserted atom must be 3.73 angstrom from atom at 42 in the cif file. | data_image0
_chemical_formula_structural Na9Mg9AlSi10O35
_chemical_formula_sum "Na9 Mg9 Al1 Si10 O35"
_cell_length_a 25.12591308
_cell_length_b 8.70348242
_cell_length_c 6.49278501
_cell_angle_alpha 90.00000080000001
_cell_angle_beta 90.00306439
_cell_angle_gamma 30.004440... | data_image0
_chemical_formula_structural Na9Mg9AlSi10O35N
_chemical_formula_sum "Na9 Mg9 Al1 Si10 O35 N1"
_cell_length_a 25.12591308
_cell_length_b 8.70348242
_cell_length_c 6.49278501
_cell_angle_alpha 90.00000080000001
_cell_angle_beta 90.00306439
_cell_angle_gamma 30.00... |
InsertBetweenAtomsAction | b68d480a-8ef4-46cd-9160-a0eadf824791 | mp-1097054 | Insert a Fl atom in the line between atoms at indices 21 and 19, and the inserted atom must be 0.68 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural K4Ce8Fe4O24
_chemical_formula_sum "K4 Ce8 Fe4 O24"
_cell_length_a 5.994042
_cell_length_b 8.445889
_cell_length_c 11.558087
_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 K4Ce8Fe4O24Fl
_chemical_formula_sum "K4 Ce8 Fe4 O24 Fl1"
_cell_length_a 5.994042
_cell_length_b 8.445889
_cell_length_c 11.558087
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | a35b6747-2150-4a22-84b3-2110277373d9 | mp-1227649 | Insert a Nb atom in the line between atoms at indices 33 and 20, and the inserted atom must be 2.23 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Ca4Se8O22
_chemical_formula_sum "Ca4 Se8 O22"
_cell_length_a 8.33764981
_cell_length_b 8.33764981
_cell_length_c 12.175655180000001
_cell_angle_alpha 65.11946191
_cell_angle_beta 65.11946191
_cell_angle_gamma 50.96985560000001
_spa... | data_image0
_chemical_formula_structural Ca4Se8O22Nb
_chemical_formula_sum "Ca4 Se8 O22 Nb1"
_cell_length_a 8.33764981
_cell_length_b 8.33764981
_cell_length_c 12.175655180000001
_cell_angle_alpha 65.11946191
_cell_angle_beta 65.11946191
_cell_angle_gamma 50.96985560000001... |
InsertBetweenAtomsAction | a3935f46-fe63-4bb4-9bae-2f7a5b1e9155 | mp-767412 | Insert a Ce atom in the line between atoms at indices 11 and 12, and the inserted atom must be 1.74 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li3Co4S8
_chemical_formula_sum "Li3 Co4 S8"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_group_... | data_image0
_chemical_formula_structural Li3Co4S8Ce
_chemical_formula_sum "Li3 Co4 S8 Ce1"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_... |
InsertBetweenAtomsAction | ee73f2f3-e85b-4838-b312-b90ddf95f34a | mp-1193190 | Insert a Os atom in the line between atoms at indices 24 and 12, and the inserted atom must be 2.06 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Cr6O18Os
_chemical_formula_sum "K4 Cr6 O18 Os1"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | bea10b11-7aec-4075-9702-83c5967fae6e | mp-1246736 | Insert a Co atom in the line between atoms at indices 1 and 10, and the inserted atom must be 1.58 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mn6V2N6
_chemical_formula_sum "Mn6 V2 N6"
_cell_length_a 6.87298802
_cell_length_b 6.82548822
_cell_length_c 3.902309
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.80338612999999
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mn6V2N6Co
_chemical_formula_sum "Mn6 V2 N6 Co1"
_cell_length_a 6.87298802
_cell_length_b 6.82548822
_cell_length_c 3.902309
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.80338612999999
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | e618e4c0-0e35-45e5-90bd-98fa0e4b78af | mp-1246871 | Insert a Pd atom in the line between atoms at indices 7 and 10, and the inserted atom must be 3.30 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Dy2Mg2Mn2S8
_chemical_formula_sum "Dy2 Mg2 Mn2 S8"
_cell_length_a 7.74106626
_cell_length_b 7.55652854
_cell_length_c 7.55628571
_cell_angle_alpha 60.18353225
_cell_angle_beta 59.17145785
_cell_angle_gamma 59.20400401999999
_space_... | data_image0
_chemical_formula_structural Dy2Mg2Mn2S8Pd
_chemical_formula_sum "Dy2 Mg2 Mn2 S8 Pd1"
_cell_length_a 7.74106626
_cell_length_b 7.55652854
_cell_length_c 7.55628571
_cell_angle_alpha 60.18353225
_cell_angle_beta 59.17145785
_cell_angle_gamma 59.20400401999999
_... |
InsertBetweenAtomsAction | 7aa9673b-4591-4e5e-8a78-2756aa91ff69 | mp-1213897 | Insert a La atom in the line between atoms at indices 9 and 12, and the inserted atom must be 2.55 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ca4W4O8
_chemical_formula_sum "Ca4 W4 O8"
_cell_length_a 7.39204584
_cell_length_b 7.39204584
_cell_length_c 7.39204584
_cell_angle_alpha 129.86715672
_cell_angle_beta 129.86715672
_cell_angle_gamma 73.61922588
_space_group_name_H-... | data_image0
_chemical_formula_structural Ca4W4O8La
_chemical_formula_sum "Ca4 W4 O8 La1"
_cell_length_a 7.39204584
_cell_length_b 7.39204584
_cell_length_c 7.39204584
_cell_angle_alpha 129.86715672
_cell_angle_beta 129.86715672
_cell_angle_gamma 73.61922588
_space_group_n... |
InsertBetweenAtomsAction | 67cf6f5e-14d9-4db7-94c1-3f58324da332 | mp-1208000 | Insert a Re atom in the line between atoms at indices 7 and 18, and the inserted atom must be 0.53 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Tm2CuGe4O12
_chemical_formula_sum "Tm2 Cu1 Ge4 O12"
_cell_length_a 4.983862
_cell_length_b 7.19407863
_cell_length_c 7.9632799
_cell_angle_alpha 113.99763921
_cell_angle_beta 87.05121009
_cell_angle_gamma 102.37933051
_space_group_... | data_image0
_chemical_formula_structural Tm2CuGe4O12Re
_chemical_formula_sum "Tm2 Cu1 Ge4 O12 Re1"
_cell_length_a 4.983862
_cell_length_b 7.19407863
_cell_length_c 7.9632799
_cell_angle_alpha 113.99763921
_cell_angle_beta 87.05121009
_cell_angle_gamma 102.37933051
_space_... |
InsertBetweenAtomsAction | a8bb54cb-a509-4190-8a99-1fe0c6db9595 | mp-651997 | Insert a Mt atom in the line between atoms at indices 6 and 19, and the inserted atom must be 4.06 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Fe12Ge8O32
_chemical_formula_sum "Fe12 Ge8 O32"
_cell_length_a 8.471589
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Fe12Ge8O32Mt
_chemical_formula_sum "Fe12 Ge8 O32 Mt1"
_cell_length_a 8.471589
_cell_length_b 8.627237
_cell_length_c 9.341011200000002
_cell_angle_alpha 62.332983270000014
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | 6bebf79b-3b9f-425c-8dc6-bda609924828 | mp-861612 | Insert a B atom in the line between atoms at indices 16 and 6, and the inserted atom must be 3.46 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P4O16B
_chemical_formula_sum "Cr2 Fe2 P4 O16 B1"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | fa5b2afd-07fb-48ed-bf33-6f0461ad0246 | mp-771136 | Insert a Gd atom in the line between atoms at indices 27 and 12, and the inserted atom must be 2.19 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Ho4Se6O24
_chemical_formula_sum "Ho4 Se6 O24"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space_group... | data_image0
_chemical_formula_structural Ho4Se6O24Gd
_chemical_formula_sum "Ho4 Se6 O24 Gd1"
_cell_length_a 9.83310587
_cell_length_b 9.83317571
_cell_length_c 9.83311331
_cell_angle_alpha 58.05414921999998
_cell_angle_beta 58.05380574
_cell_angle_gamma 58.05413616
_space... |
InsertBetweenAtomsAction | 36b8ce95-6ff0-407d-8219-274e39d7b41d | mp-1650920 | Insert a Fe atom in the line between atoms at indices 11 and 18, and the inserted atom must be 1.58 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural SrLa4Cr5O15
_chemical_formula_sum "Sr1 La4 Cr5 O15"
_cell_length_a 5.55545134
_cell_length_b 6.786953540000001
_cell_length_c 8.73338731
_cell_angle_alpha 104.83756037999999
_cell_angle_beta 108.43716370999998
_cell_angle_gamma 89.7... | data_image0
_chemical_formula_structural SrLa4Cr5O15Fe
_chemical_formula_sum "Sr1 La4 Cr5 O15 Fe1"
_cell_length_a 5.55545134
_cell_length_b 6.786953540000001
_cell_length_c 8.73338731
_cell_angle_alpha 104.83756037999999
_cell_angle_beta 108.43716370999998
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 012f0d94-505b-43d6-bee4-e7bc7a938217 | mp-754097 | Insert a Bk atom in the line between atoms at indices 27 and 15, and the inserted atom must be 0.73 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li8Fe4B4O16
_chemical_formula_sum "Li8 Fe4 B4 O16"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_space_g... | data_image0
_chemical_formula_structural Li8Fe4B4O16Bk
_chemical_formula_sum "Li8 Fe4 B4 O16 Bk1"
_cell_length_a 5.03732664
_cell_length_b 10.07299094
_cell_length_c 6.172451
_cell_angle_alpha 90.00003662999998
_cell_angle_beta 90.00001758
_cell_angle_gamma 92.06799145
_s... |
InsertBetweenAtomsAction | 5bdb195b-4e8e-42a8-bdb1-37ff85bd3529 | mp-760314 | Insert a Eu atom in the line between atoms at indices 27 and 1, and the inserted atom must be 5.72 angstrom from atom at 27 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 V6O5F19Eu
_chemical_formula_sum "V6 O5 F19 Eu1"
_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 | 5dc2253a-f2f2-4c64-b2a5-1e99a619c6ac | mp-569364 | Insert a Es atom in the line between atoms at indices 20 and 8, and the inserted atom must be 1.39 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Be44Re2
_chemical_formula_sum "Be44 Re2"
_cell_length_a 8.13274172
_cell_length_b 8.13274113
_cell_length_c 8.132742219999999
_cell_angle_alpha 60.00074062000001
_cell_angle_beta 60.00073954
_cell_angle_gamma 60.000751649999984
_sp... | data_image0
_chemical_formula_structural Be44Re2Es
_chemical_formula_sum "Be44 Re2 Es1"
_cell_length_a 8.13274172
_cell_length_b 8.13274113
_cell_length_c 8.132742219999999
_cell_angle_alpha 60.00074062000001
_cell_angle_beta 60.00073954
_cell_angle_gamma 60.00075164999998... |
InsertBetweenAtomsAction | 1975048a-756b-48f2-8b2a-fba1603a7840 | mp-1045008 | Insert a Ds atom in the line between atoms at indices 1 and 2, and the inserted atom must be 2.84 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ba2AlW3O7
_chemical_formula_sum "Ba2 Al1 W3 O7"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 Ba2AlW3O7Ds
_chemical_formula_sum "Ba2 Al1 W3 O7 Ds1"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 | a66e7840-bed8-470d-ac3b-90bafcba1a83 | mp-1239200 | Insert a Ir atom in the line between atoms at indices 20 and 51, and the inserted atom must be 1.67 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_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 Na8Cr16S32Ir
_chemical_formula_sum "Na8 Cr16 S32 Ir1"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | e83e64eb-f8f7-4a70-8f37-d29a47a3c16b | mp-1209619 | Insert a I atom in the line between atoms at indices 3 and 8, and the inserted atom must be 4.22 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... | data_image0
_chemical_formula_structural Rb3BiF6I
_chemical_formula_sum "Rb3 Bi1 F6 I1"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_gr... |
InsertBetweenAtomsAction | f84f7d4b-a932-491d-b66c-83aaa5005732 | mp-1643264 | Insert a Re atom in the line between atoms at indices 15 and 34, and the inserted atom must be 3.36 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li8Co10Sn2O24
_chemical_formula_sum "Li8 Co10 Sn2 O24"
_cell_length_a 5.07252516
_cell_length_b 5.03807126
_cell_length_c 19.82383601
_cell_angle_alpha 91.98006383
_cell_angle_beta 85.19405963000001
_cell_angle_gamma 120.10979549999... | data_image0
_chemical_formula_structural Li8Co10Sn2O24Re
_chemical_formula_sum "Li8 Co10 Sn2 O24 Re1"
_cell_length_a 5.07252516
_cell_length_b 5.03807126
_cell_length_c 19.82383601
_cell_angle_alpha 91.98006383
_cell_angle_beta 85.19405963000001
_cell_angle_gamma 120.10979... |
InsertBetweenAtomsAction | 9c34720a-fe45-44ce-9472-15c13c271943 | mp-3824 | Insert a Fe atom in the line between atoms at indices 12 and 14, and the inserted atom must be 1.61 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ta9Ni2S6
_chemical_formula_sum "Ta9 Ni2 S6"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ta9Ni2S6Fe
_chemical_formula_sum "Ta9 Ni2 S6 Fe1"
_cell_length_a 10.1498084
_cell_length_b 10.1498084
_cell_length_c 3.38631625
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999389
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 2570043c-3a42-41c5-ae24-bcc1fa3254bf | mp-1305999 | Insert a Db atom in the line between atoms at indices 14 and 0, and the inserted atom must be 4.90 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... | data_image0
_chemical_formula_structural Li3TiNi4O8Db
_chemical_formula_sum "Li3 Ti1 Ni4 O8 Db1"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999... |
InsertBetweenAtomsAction | f8d757d1-6343-4f9f-b0d3-62767b770d7d | mp-673347 | Insert a U atom in the line between atoms at indices 11 and 18, and the inserted atom must be 1.14 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Nb4H4O12
_chemical_formula_sum "Nb4 H4 O12"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb4H4O12U
_chemical_formula_sum "Nb4 H4 O12 U1"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_nam... |
InsertBetweenAtomsAction | a561b40c-95ea-4795-898f-dc31e57d41e1 | mp-1246950 | Insert a Ru atom in the line between atoms at indices 0 and 3, and the inserted atom must be 2.06 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural MnC8N6
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_spa... | data_image0
_chemical_formula_structural MnC8N6Ru
_chemical_formula_sum "Mn1 C8 N6 Ru1"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731... |
InsertBetweenAtomsAction | 5183fe2e-96ff-464f-a0f7-5c2b52eed19b | mp-2223637 | Insert a Au atom in the line between atoms at indices 1 and 2, and the inserted atom must be 1.44 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural MgFeCo2O6
_chemical_formula_sum "Mg1 Fe1 Co2 O6"
_cell_length_a 6.73399449
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_space_group_na... | data_image0
_chemical_formula_structural MgFeCo2O6Au
_chemical_formula_sum "Mg1 Fe1 Co2 O6 Au1"
_cell_length_a 6.73399449
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_space_gr... |
InsertBetweenAtomsAction | c7b9c5dc-07a5-4400-8a81-5aaf8a5c5067 | mp-27442 | Insert a Rn atom in the line between atoms at indices 4 and 10, and the inserted atom must be 7.64 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Rb4Cr4I12
_chemical_formula_sum "Rb4 Cr4 I12"
_cell_length_a 8.11166476
_cell_length_b 8.11166476
_cell_length_c 14.42091642
_cell_angle_alpha 84.76938546
_cell_angle_beta 84.76938546
_cell_angle_gamma 60.11998986000001
_space_grou... | data_image0
_chemical_formula_structural Rb4Cr4I12Rn
_chemical_formula_sum "Rb4 Cr4 I12 Rn1"
_cell_length_a 8.11166476
_cell_length_b 8.11166476
_cell_length_c 14.42091642
_cell_angle_alpha 84.76938546
_cell_angle_beta 84.76938546
_cell_angle_gamma 60.11998986000001
_spac... |
InsertBetweenAtomsAction | 9106fcf8-fc02-43f6-b070-a009160935c9 | mp-1202130 | Insert a Lv atom in the line between atoms at indices 25 and 1, and the inserted atom must be 1.81 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural K4U4Se8O32
_chemical_formula_sum "K4 U4 Se8 O32"
_cell_length_a 10.240241
_cell_length_b 9.050216
_cell_length_c 12.85625632
_cell_angle_alpha 49.27693034999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K4U4Se8O32Lv
_chemical_formula_sum "K4 U4 Se8 O32 Lv1"
_cell_length_a 10.240241
_cell_length_b 9.050216
_cell_length_c 12.85625632
_cell_angle_alpha 49.27693034999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 301ca70a-2c09-4a78-aeba-4330a6439ec1 | mp-1200198 | Insert a W atom in the line between atoms at indices 63 and 62, and the inserted atom must be 4.16 angstrom from atom at 63 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 Cd8Cu8P8S4O68W
_chemical_formula_sum "Cd8 Cu8 P8 S4 O68 W1"
_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 | 9ad4af75-5120-4ac3-80d1-626b16ee0e39 | mp-1101922 | Insert a S atom in the line between atoms at indices 11 and 0, and the inserted atom must be 2.70 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Eu4Fe8
_chemical_formula_sum "Eu4 Fe8"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Eu4Fe8S
_chemical_formula_sum "Eu4 Fe8 S1"
_cell_length_a 5.501304
_cell_length_b 5.50130398
_cell_length_c 8.536266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000009
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | 1ecfab2c-57c1-4aa0-a366-4ce6cb6145f9 | mp-1232290 | Insert a Np atom in the line between atoms at indices 10 and 11, and the inserted atom must be 3.60 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Cu3SbF12
_chemical_formula_sum "Cu3 Sb1 F12"
_cell_length_a 6.70660229
_cell_length_b 6.70660189
_cell_length_c 6.70660296
_cell_angle_alpha 109.47121481
_cell_angle_beta 109.4712136
_cell_angle_gamma 109.47122883
_space_group_name... | data_image0
_chemical_formula_structural Cu3SbF12Np
_chemical_formula_sum "Cu3 Sb1 F12 Np1"
_cell_length_a 6.70660229
_cell_length_b 6.70660189
_cell_length_c 6.70660296
_cell_angle_alpha 109.47121481
_cell_angle_beta 109.4712136
_cell_angle_gamma 109.47122883
_space_grou... |
InsertBetweenAtomsAction | cdf6f91b-3edf-4e3d-ae70-b35a8a03a154 | mp-753615 | Insert a Tl atom in the line between atoms at indices 11 and 0, and the inserted atom must be 1.30 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O4F4Tl
_chemical_formula_sum "Li3 Mn3 O4 F4 Tl1"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_g... |
InsertBetweenAtomsAction | e33cd029-716e-4edd-8aa3-2f679621d726 | mp-1275970 | Insert a N atom in the line between atoms at indices 4 and 6, and the inserted atom must be 2.11 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural BaLaMn2O6
_chemical_formula_sum "Ba1 La1 Mn2 O6"
_cell_length_a 5.67028296
_cell_length_b 5.567038570000001
_cell_length_c 5.56019767
_cell_angle_alpha 118.69775107999999
_cell_angle_beta 120.57657265
_cell_angle_gamma 59.30470872
... | data_image0
_chemical_formula_structural BaLaMn2O6N
_chemical_formula_sum "Ba1 La1 Mn2 O6 N1"
_cell_length_a 5.67028296
_cell_length_b 5.567038570000001
_cell_length_c 5.56019767
_cell_angle_alpha 118.69775107999999
_cell_angle_beta 120.57657265
_cell_angle_gamma 59.304708... |
InsertBetweenAtomsAction | 94c4fd16-1ab9-46e4-bb5d-08118802bd0c | mp-1102140 | Insert a Zn atom in the line between atoms at indices 11 and 1, and the inserted atom must be 2.38 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_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 Nd4Si4Ir4Zn
_chemical_formula_sum "Nd4 Si4 Ir4 Zn1"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | e1bc9248-64a1-482c-92f8-1c855c98fd93 | mp-17426 | Insert a K atom in the line between atoms at indices 32 and 0, and the inserted atom must be 0.62 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Er8W4O24
_chemical_formula_sum "Er8 W4 O24"
_cell_length_a 5.16899321
_cell_length_b 8.98292463
_cell_length_c 9.80930968
_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 Er8W4O24K
_chemical_formula_sum "Er8 W4 O24 K1"
_cell_length_a 5.16899321
_cell_length_b 8.98292463
_cell_length_c 9.80930968
_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 | e4c8d15c-058a-4aad-89d2-8f3ca5b993df | mp-557730 | Insert a Bi atom in the line between atoms at indices 25 and 12, and the inserted atom must be 2.01 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Dy2P6O18
_chemical_formula_sum "Dy2 P6 O18"
_cell_length_a 7.85087047
_cell_length_b 7.85087047
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta 56.61469013000001
_cell_angle_gamma 50.74411487
_space_... | data_image0
_chemical_formula_structural Dy2P6O18Bi
_chemical_formula_sum "Dy2 P6 O18 Bi1"
_cell_length_a 7.85087047
_cell_length_b 7.85087047
_cell_length_c 10.04511306
_cell_angle_alpha 56.61469013000001
_cell_angle_beta 56.61469013000001
_cell_angle_gamma 50.74411487
_... |
InsertBetweenAtomsAction | c748d5fa-49ab-41be-b0e5-f0657ad4fd8d | mp-1400415 | Insert a Y atom in the line between atoms at indices 9 and 8, and the inserted atom must be 1.98 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ba2Ti3O8
_chemical_formula_sum "Ba2 Ti3 O8"
_cell_length_a 3.948523
_cell_length_b 3.948523
_cell_length_c 11.944754
_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 Ba2Ti3O8Y
_chemical_formula_sum "Ba2 Ti3 O8 Y1"
_cell_length_a 3.948523
_cell_length_b 3.948523
_cell_length_c 11.944754
_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 | 0d85dd2f-e414-4e26-a2b4-185d53f153f1 | mp-1196630 | Insert a S atom in the line between atoms at indices 21 and 32, and the inserted atom must be 4.95 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12S
_chemical_formula_sum "Fe2 Cu16 Sb6 S27 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 0c830e5f-6bd4-4af4-81a1-97bf8b2f3b3e | mp-541221 | Insert a Ir atom in the line between atoms at indices 19 and 59, and the inserted atom must be 5.60 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... | data_image0
_chemical_formula_structural Ba6H12N12O30Ir
_chemical_formula_sum "Ba6 H12 N12 O30 Ir1"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_... |
InsertBetweenAtomsAction | c232d979-6b0d-4aac-804a-6c005761a741 | mp-1103318 | Insert a V atom in the line between atoms at indices 6 and 7, and the inserted atom must be 10.55 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural MoW11
_chemical_formula_sum "Mo1 W11"
_cell_length_a 2.596238
_cell_length_b 5.319293
_cell_length_c 18.356209
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural MoW11V
_chemical_formula_sum "Mo1 W11 V1"
_cell_length_a 2.596238
_cell_length_b 5.319293
_cell_length_c 18.356209
_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_... |
InsertBetweenAtomsAction | c0e15688-7a82-4acf-9d6e-2d7a73dd869f | mp-770938 | Insert a Rb atom in the line between atoms at indices 14 and 1, and the inserted atom must be 1.39 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Li6V2P2C2O14
_chemical_formula_sum "Li6 V2 P2 C2 O14"
_cell_length_a 5.20433187
_cell_length_b 6.702942999999999
_cell_length_c 8.34931113
_cell_angle_alpha 90.00264614
_cell_angle_beta 87.60110657000001
_cell_angle_gamma 89.9981124... | data_image0
_chemical_formula_structural Li6V2P2C2O14Rb
_chemical_formula_sum "Li6 V2 P2 C2 O14 Rb1"
_cell_length_a 5.20433187
_cell_length_b 6.702942999999999
_cell_length_c 8.34931113
_cell_angle_alpha 90.00264614
_cell_angle_beta 87.60110657000001
_cell_angle_gamma 89.9... |
InsertBetweenAtomsAction | 3925901d-cfad-476f-935a-90a99ad06616 | mp-1043245 | Insert a Mo atom in the line between atoms at indices 3 and 13, and the inserted atom must be 1.43 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Co2Ge4O12
_chemical_formula_sum "Co2 Ge4 O12"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 5.552864590000001
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_angle_gamma 83.37240365
_spa... | data_image0
_chemical_formula_structural Co2Ge4O12Mo
_chemical_formula_sum "Co2 Ge4 O12 Mo1"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 5.552864590000001
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_angle_gamma 83.37240365... |
InsertBetweenAtomsAction | c5c777ab-770e-48c6-a378-aa7e297f709d | mp-705680 | Insert a Eu atom in the line between atoms at indices 10 and 0, and the inserted atom must be 2.08 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural La4Mo4O18
_chemical_formula_sum "La4 Mo4 O18"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999998
_... | data_image0
_chemical_formula_structural La4Mo4O18Eu
_chemical_formula_sum "La4 Mo4 O18 Eu1"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999... |
InsertBetweenAtomsAction | 19507449-ceb1-44f5-9266-3dd908843f9c | mp-1233377 | Insert a Au atom in the line between atoms at indices 11 and 5, and the inserted atom must be 0.97 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Gd6MgIn2O12
_chemical_formula_sum "Gd6 Mg1 In2 O12"
_cell_length_a 6.99250114
_cell_length_b 6.959334629999999
_cell_length_c 6.83801893
_cell_angle_alpha 94.14595942
_cell_angle_beta 91.72693156000001
_cell_angle_gamma 91.75106101
... | data_image0
_chemical_formula_structural Gd6MgIn2O12Au
_chemical_formula_sum "Gd6 Mg1 In2 O12 Au1"
_cell_length_a 6.99250114
_cell_length_b 6.959334629999999
_cell_length_c 6.83801893
_cell_angle_alpha 94.14595942
_cell_angle_beta 91.72693156000001
_cell_angle_gamma 91.751... |
InsertBetweenAtomsAction | 2f3dcd1a-5667-4b7a-b9a8-fc5dcdba99c8 | mp-1221029 | Insert a Te atom in the line between atoms at indices 7 and 19, and the inserted atom must be 3.34 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural NaPr9Ge6O26
_chemical_formula_sum "Na1 Pr9 Ge6 O26"
_cell_length_a 9.90787573
_cell_length_b 9.90787573
_cell_length_c 7.246707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999818999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural NaPr9Ge6O26Te
_chemical_formula_sum "Na1 Pr9 Ge6 O26 Te1"
_cell_length_a 9.90787573
_cell_length_b 9.90787573
_cell_length_c 7.246707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999818999999
_space_group_na... |
InsertBetweenAtomsAction | 0d43dd0f-ba1a-485b-b25b-731b2ea37ea7 | mp-1220828 | Insert a I atom in the line between atoms at indices 77 and 25, and the inserted atom must be 3.13 angstrom from atom at 77 in the cif file. | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... | data_image0
_chemical_formula_structural Nb16Pb12O48F8I
_chemical_formula_sum "Nb16 Pb12 O48 F8 I1"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_... |
InsertBetweenAtomsAction | 04996d06-ef7f-437e-afe1-d712b7d9d92d | mp-988945 | Insert a Am atom in the line between atoms at indices 4 and 8, and the inserted atom must be 4.49 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Al8As8
_chemical_formula_sum "Al8 As8"
_cell_length_a 7.02253
_cell_length_b 7.02253
_cell_length_c 7.02253
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_numb... | data_image0
_chemical_formula_structural Al8As8Am
_chemical_formula_sum "Al8 As8 Am1"
_cell_length_a 7.02253
_cell_length_b 7.02253
_cell_length_c 7.02253
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... |
InsertBetweenAtomsAction | 8e1624c6-3aac-4b35-85aa-5be4b5ed2a3a | mp-559820 | Insert a Be atom in the line between atoms at indices 26 and 5, and the inserted atom must be 2.40 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural La4S4Cl4O16
_chemical_formula_sum "La4 S4 Cl4 O16"
_cell_length_a 8.227041
_cell_length_b 6.824929
_cell_length_c 8.73515244
_cell_angle_alpha 66.15988172
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural La4S4Cl4O16Be
_chemical_formula_sum "La4 S4 Cl4 O16 Be1"
_cell_length_a 8.227041
_cell_length_b 6.824929
_cell_length_c 8.73515244
_cell_angle_alpha 66.15988172
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | cb289fa0-02ef-413e-961e-3589cc9298e1 | mp-1235973 | Insert a Ba atom in the line between atoms at indices 15 and 6, and the inserted atom must be 0.53 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY4Ag4O12Ba
_chemical_formula_sum "Li1 Y4 Ag4 O12 Ba1"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name... |
InsertBetweenAtomsAction | a58948a3-32cf-4210-ad54-4205846d55e9 | mp-1211929 | Insert a Ti atom in the line between atoms at indices 21 and 45, and the inserted atom must be 2.58 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural K8Te4Mo8P8O56
_chemical_formula_sum "K8 Te4 Mo8 P8 O56"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 12.55253392
_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 K8Te4Mo8P8O56Ti
_chemical_formula_sum "K8 Te4 Mo8 P8 O56 Ti1"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 12.55253392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | d4231fff-709c-41d4-a4f4-5e3c7d067edd | mp-775903 | Insert a Br atom in the line between atoms at indices 4 and 1, and the inserted atom must be 4.89 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li8Mn4P8O28
_chemical_formula_sum "Li8 Mn4 P8 O28"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
_space... | data_image0
_chemical_formula_structural Li8Mn4P8O28Br
_chemical_formula_sum "Li8 Mn4 P8 O28 Br1"
_cell_length_a 7.11528203
_cell_length_b 8.66272234
_cell_length_c 10.21943547
_cell_angle_alpha 92.88116626
_cell_angle_beta 108.95972731999998
_cell_angle_gamma 95.0002604
... |
InsertBetweenAtomsAction | 07618df0-2a88-4348-805d-6926084f5a0b | mp-1175049 | Insert a No atom in the line between atoms at indices 20 and 8, and the inserted atom must be 0.95 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 2.961141
_cell_length_b 5.07618941
_cell_length_c 14.380623660000001
_cell_angle_alpha 88.2354465
_cell_angle_beta 86.62971702
_cell_angle_gamma 88.55672708999998
... | data_image0
_chemical_formula_structural Li7Mn2Co3O12No
_chemical_formula_sum "Li7 Mn2 Co3 O12 No1"
_cell_length_a 2.961141
_cell_length_b 5.07618941
_cell_length_c 14.380623660000001
_cell_angle_alpha 88.2354465
_cell_angle_beta 86.62971702
_cell_angle_gamma 88.5567270899... |
InsertBetweenAtomsAction | b7fe30ea-e2b1-4bf6-bfcd-bc9989ccc162 | mp-1181826 | Insert a Rb atom in the line between atoms at indices 9 and 0, and the inserted atom must be 0.62 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural CoCuP2O7
_chemical_formula_sum "Co1 Cu1 P2 O7"
_cell_length_a 4.59307298
_cell_length_b 5.36394199
_cell_length_c 5.39286453
_cell_angle_alpha 101.43439814
_cell_angle_beta 100.93720399
_cell_angle_gamma 100.89037008000001
_space_g... | data_image0
_chemical_formula_structural CoCuP2O7Rb
_chemical_formula_sum "Co1 Cu1 P2 O7 Rb1"
_cell_length_a 4.59307298
_cell_length_b 5.36394199
_cell_length_c 5.39286453
_cell_angle_alpha 101.43439814
_cell_angle_beta 100.93720399
_cell_angle_gamma 100.89037008000001
_s... |
InsertBetweenAtomsAction | abe7fb72-23ea-4bc5-9cd6-28993284571d | mp-680301 | Insert a Cl atom in the line between atoms at indices 37 and 51, and the inserted atom must be 2.08 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural K24As8O32
_chemical_formula_sum "K24 As8 O32"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural K24As8O32Cl
_chemical_formula_sum "K24 As8 O32 Cl1"
_cell_length_a 8.27960089
_cell_length_b 8.27960089
_cell_length_c 16.89061602
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.24265916000002
_space_group_name_H... |
InsertBetweenAtomsAction | 6c1831bb-513a-4ed1-bd3f-e38c817b02c8 | mp-1250606 | Insert a Lr atom in the line between atoms at indices 25 and 23, and the inserted atom must be 5.08 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Ca4Al2H20Cl2O16
_chemical_formula_sum "Ca4 Al2 H20 Cl2 O16"
_cell_length_a 10.74289779
_cell_length_b 8.85810288
_cell_length_c 8.85810288
_cell_angle_alpha 41.84762657000001
_cell_angle_beta 100.38471685999998
_cell_angle_gamma 100... | data_image0
_chemical_formula_structural Ca4Al2H20Cl2O16Lr
_chemical_formula_sum "Ca4 Al2 H20 Cl2 O16 Lr1"
_cell_length_a 10.74289779
_cell_length_b 8.85810288
_cell_length_c 8.85810288
_cell_angle_alpha 41.84762657000001
_cell_angle_beta 100.38471685999998
_cell_angle_gamma ... |
InsertBetweenAtomsAction | c4c39a0e-83ea-4979-9e20-ea607aac9033 | mp-2220594 | Insert a Mo atom in the line between atoms at indices 12 and 29, and the inserted atom must be 4.33 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural MgTl4V4Te4O20
_chemical_formula_sum "Mg1 Tl4 V4 Te4 O20"
_cell_length_a 7.06985946
_cell_length_b 8.249802490000002
_cell_length_c 9.27915161
_cell_angle_alpha 86.50146034
_cell_angle_beta 91.60447252999998
_cell_angle_gamma 89.8648... | data_image0
_chemical_formula_structural MgTl4V4Te4O20Mo
_chemical_formula_sum "Mg1 Tl4 V4 Te4 O20 Mo1"
_cell_length_a 7.06985946
_cell_length_b 8.249802490000002
_cell_length_c 9.27915161
_cell_angle_alpha 86.50146034
_cell_angle_beta 91.60447252999998
_cell_angle_gamma 8... |
InsertBetweenAtomsAction | 7de2dc52-e9ef-4d4f-a750-4fb63b9b5d4e | mp-1197601 | Insert a Ta atom in the line between atoms at indices 64 and 66, and the inserted atom must be 3.03 angstrom from atom at 64 in the cif file. | data_image0
_chemical_formula_structural Rb4MgFe8H6Se16O50
_chemical_formula_sum "Rb4 Mg1 Fe8 H6 Se16 O50"
_cell_length_a 7.852262
_cell_length_b 10.51530752
_cell_length_c 16.13059088
_cell_angle_alpha 77.45945308
_cell_angle_beta 88.6467985
_cell_angle_gamma 86.212906200... | data_image0
_chemical_formula_structural Rb4MgFe8H6Se16O50Ta
_chemical_formula_sum "Rb4 Mg1 Fe8 H6 Se16 O50 Ta1"
_cell_length_a 7.852262
_cell_length_b 10.51530752
_cell_length_c 16.13059088
_cell_angle_alpha 77.45945308
_cell_angle_beta 88.6467985
_cell_angle_gamma 86.212... |
InsertBetweenAtomsAction | 6bae1ced-e705-40d8-a34c-c352761ca2da | mp-561165 | Insert a Nh atom in the line between atoms at indices 30 and 29, and the inserted atom must be 3.56 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural V6Bi12O30
_chemical_formula_sum "V6 Bi12 O30"
_cell_length_a 11.26970933
_cell_length_b 11.26970933
_cell_length_c 5.469955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 94.31418871
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural V6Bi12O30Nh
_chemical_formula_sum "V6 Bi12 O30 Nh1"
_cell_length_a 11.26970933
_cell_length_b 11.26970933
_cell_length_c 5.469955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 94.31418871
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 70c5b6a6-68fa-48dc-98d4-273fc7b1b994 | mp-1203661 | Insert a Am atom in the line between atoms at indices 9 and 18, and the inserted atom must be 3.10 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural K5Rb10Cr5F30
_chemical_formula_sum "K5 Rb10 Cr5 F30"
_cell_length_a 8.85048792
_cell_length_b 10.61210768
_cell_length_c 10.61210768
_cell_angle_alpha 79.98600918999999
_cell_angle_beta 65.35469727
_cell_angle_gamma 65.35469727
_sp... | data_image0
_chemical_formula_structural K5Rb10Cr5F30Am
_chemical_formula_sum "K5 Rb10 Cr5 F30 Am1"
_cell_length_a 8.85048792
_cell_length_b 10.61210768
_cell_length_c 10.61210768
_cell_angle_alpha 79.98600918999999
_cell_angle_beta 65.35469727
_cell_angle_gamma 65.3546972... |
InsertBetweenAtomsAction | ede8da6f-d4a9-42aa-acd4-e28acc1ca88a | mp-1095470 | Insert a Sr atom in the line between atoms at indices 10 and 2, and the inserted atom must be 1.39 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Eu4Zn2Ge6
_chemical_formula_sum "Eu4 Zn2 Ge6"
_cell_length_a 4.24159271
_cell_length_b 4.24159271
_cell_length_c 17.86911257
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99697262000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Eu4Zn2Ge6Sr
_chemical_formula_sum "Eu4 Zn2 Ge6 Sr1"
_cell_length_a 4.24159271
_cell_length_b 4.24159271
_cell_length_c 17.86911257
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99697262000001
_space_group_name_... |
InsertBetweenAtomsAction | 2bc4e898-b485-4300-aa9b-a405ad0d86af | mp-1569720 | Insert a Ca atom in the line between atoms at indices 7 and 16, and the inserted atom must be 3.86 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li4Si4Ni2O12
_chemical_formula_sum "Li4 Si4 Ni2 O12"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5191547... | data_image0
_chemical_formula_structural Li4Si4Ni2O12Ca
_chemical_formula_sum "Li4 Si4 Ni2 O12 Ca1"
_cell_length_a 5.12306407
_cell_length_b 10.43044348
_cell_length_c 5.12760704
_cell_angle_alpha 104.44993766000002
_cell_angle_beta 90.72066576999998
_cell_angle_gamma 75.5... |
InsertBetweenAtomsAction | 98e1e149-3f2d-4183-af2e-22f71bb359e3 | mp-1227442 | Insert a Rh atom in the line between atoms at indices 8 and 3, and the inserted atom must be 0.66 angstrom from atom at 8 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 Be2BH3O5Rh
_chemical_formula_sum "Be2 B1 H3 O5 Rh1"
_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 | 207f2e1d-8142-4a4e-a655-65bf66960fe5 | mp-1044415 | Insert a Dy atom in the line between atoms at indices 18 and 19, and the inserted atom must be 0.67 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Mg4Ni4Bi4O20
_chemical_formula_sum "Mg4 Ni4 Bi4 O20"
_cell_length_a 10.461882
_cell_length_b 5.361598
_cell_length_c 8.30520732
_cell_angle_alpha 70.34453873
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Ni4Bi4O20Dy
_chemical_formula_sum "Mg4 Ni4 Bi4 O20 Dy1"
_cell_length_a 10.461882
_cell_length_b 5.361598
_cell_length_c 8.30520732
_cell_angle_alpha 70.34453873
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | caf2c6d8-ac7b-420d-9c5b-7116c61a1766 | mp-779083 | Insert a Mg atom in the line between atoms at indices 4 and 11, and the inserted atom must be 3.09 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li2V3SnO8
_chemical_formula_sum "Li2 V3 Sn1 O8"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_group_nam... | data_image0
_chemical_formula_structural Li2V3SnO8Mg
_chemical_formula_sum "Li2 V3 Sn1 O8 Mg1"
_cell_length_a 6.04731611
_cell_length_b 6.04731611
_cell_length_c 6.04731636
_cell_angle_alpha 59.96608286
_cell_angle_beta 59.96608286
_cell_angle_gamma 59.96608671
_space_gro... |
InsertBetweenAtomsAction | cbfaf22b-a4c1-4b04-916e-31003d01954d | mp-600078 | Insert a Na atom in the line between atoms at indices 53 and 36, and the inserted atom must be 6.24 angstrom from atom at 53 in the cif file. | data_image0
_chemical_formula_structural Si18O36
_chemical_formula_sum "Si18 O36"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
_spac... | data_image0
_chemical_formula_structural Si18O36Na
_chemical_formula_sum "Si18 O36 Na1"
_cell_length_a 21.778225
_cell_length_b 21.778225
_cell_length_c 21.778225
_cell_angle_alpha 160.93319772000004
_cell_angle_beta 160.93319772000004
_cell_angle_gamma 27.091963339999996
... |
InsertBetweenAtomsAction | 0705304d-9836-44c1-b0ac-ce0d3fce634c | mp-1225820 | Insert a Bk atom in the line between atoms at indices 0 and 10, and the inserted atom must be 3.25 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Er3Ga8Ni3
_chemical_formula_sum "Er3 Ga8 Ni3"
_cell_length_a 7.96507008
_cell_length_b 7.96507008
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma 30.009609399999995
_space_grou... | data_image0
_chemical_formula_structural Er3Ga8Ni3Bk
_chemical_formula_sum "Er3 Ga8 Ni3 Bk1"
_cell_length_a 7.96507008
_cell_length_b 7.96507008
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma 30.009609399999995
_spac... |
InsertBetweenAtomsAction | e03fd308-f2a8-47d0-95ff-d5c65c1534be | mp-1215852 | Insert a Bk atom in the line between atoms at indices 6 and 8, and the inserted atom must be 1.41 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural YbEuSi4Au4
_chemical_formula_sum "Yb1 Eu1 Si4 Au4"
_cell_length_a 4.31256801
_cell_length_b 4.31256801
_cell_length_c 10.02948755
_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 YbEuSi4Au4Bk
_chemical_formula_sum "Yb1 Eu1 Si4 Au4 Bk1"
_cell_length_a 4.31256801
_cell_length_b 4.31256801
_cell_length_c 10.02948755
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | b5b3e753-130c-4284-943b-22e3f2fa9c79 | mp-1290584 | Insert a Cf atom in the line between atoms at indices 3 and 21, and the inserted atom must be 6.05 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li4V6Sn2O16
_chemical_formula_sum "Li4 V6 Sn2 O16"
_cell_length_a 6.05952536
_cell_length_b 6.01027081
_cell_length_c 10.79416155
_cell_angle_alpha 74.08540665
_cell_angle_beta 90.27515091
_cell_angle_gamma 120.32441300999999
_spac... | data_image0
_chemical_formula_structural Li4V6Sn2O16Cf
_chemical_formula_sum "Li4 V6 Sn2 O16 Cf1"
_cell_length_a 6.05952536
_cell_length_b 6.01027081
_cell_length_c 10.79416155
_cell_angle_alpha 74.08540665
_cell_angle_beta 90.27515091
_cell_angle_gamma 120.32441300999999
... |
InsertBetweenAtomsAction | 6e29593b-0f32-4e8a-8b47-4f25d3ad84d8 | mp-1044904 | Insert a I atom in the line between atoms at indices 12 and 17, and the inserted atom must be 2.28 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Y4Si2Sb2W13O28
_chemical_formula_sum "Y4 Si2 Sb2 W13 O28"
_cell_length_a 12.97580073
_cell_length_b 12.97580073
_cell_length_c 9.624540749999998
_cell_angle_alpha 85.53622521
_cell_angle_beta 85.53622521
_cell_angle_gamma 152.187774... | data_image0
_chemical_formula_structural Y4Si2Sb2W13O28I
_chemical_formula_sum "Y4 Si2 Sb2 W13 O28 I1"
_cell_length_a 12.97580073
_cell_length_b 12.97580073
_cell_length_c 9.624540749999998
_cell_angle_alpha 85.53622521
_cell_angle_beta 85.53622521
_cell_angle_gamma 152.18... |
InsertBetweenAtomsAction | ff75ce57-35b4-469b-9493-bb74b285a657 | mp-1196873 | Insert a Y atom in the line between atoms at indices 38 and 14, and the inserted atom must be 2.08 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Er6Co8Ge26
_chemical_formula_sum "Er6 Co8 Ge26"
_cell_length_a 8.763719
_cell_length_b 8.763719
_cell_length_c 8.763719
_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 Er6Co8Ge26Y
_chemical_formula_sum "Er6 Co8 Ge26 Y1"
_cell_length_a 8.763719
_cell_length_b 8.763719
_cell_length_c 8.763719
_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 | 907b5271-1d47-4a2b-8b63-1f306ba3179c | mp-2231769 | Insert a U atom in the line between atoms at indices 12 and 2, and the inserted atom must be 4.58 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural MgMn2Se4O12
_chemical_formula_sum "Mg1 Mn2 Se4 O12"
_cell_length_a 5.44462449
_cell_length_b 6.89465889
_cell_length_c 7.89161823
_cell_angle_alpha 88.69789064999999
_cell_angle_beta 93.2494109
_cell_angle_gamma 83.75586802
_space_... | data_image0
_chemical_formula_structural MgMn2Se4O12U
_chemical_formula_sum "Mg1 Mn2 Se4 O12 U1"
_cell_length_a 5.44462449
_cell_length_b 6.89465889
_cell_length_c 7.89161823
_cell_angle_alpha 88.69789064999999
_cell_angle_beta 93.2494109
_cell_angle_gamma 83.75586802
_sp... |
InsertBetweenAtomsAction | acf208fa-5ac4-4d56-99b9-bec224681af2 | mp-1209619 | Insert a Np atom in the line between atoms at indices 6 and 2, and the inserted atom must be 2.11 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Rb3BiF6
_chemical_formula_sum "Rb3 Bi1 F6"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_group_... | data_image0
_chemical_formula_structural Rb3BiF6Np
_chemical_formula_sum "Rb3 Bi1 F6 Np1"
_cell_length_a 9.12802713
_cell_length_b 7.31655097
_cell_length_c 7.31291915
_cell_angle_alpha 75.48950384
_cell_angle_beta 111.71785302000002
_cell_angle_gamma 128.61156764
_space_... |
InsertBetweenAtomsAction | 8333b70b-a5c3-4873-bbec-eea427b489c3 | mp-780652 | Insert a Ag atom in the line between atoms at indices 62 and 37, and the inserted atom must be 4.25 angstrom from atom at 62 in the cif file. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... | data_image0
_chemical_formula_structural Li8V6P16O58Ag
_chemical_formula_sum "Li8 V6 P16 O58 Ag1"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580... |
InsertBetweenAtomsAction | f48b17c3-41d8-425b-a6d7-00a884e456d3 | mp-17986 | Insert a W atom in the line between atoms at indices 15 and 23, and the inserted atom must be 1.51 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Ti4Tl8O12
_chemical_formula_sum "Ti4 Tl8 O12"
_cell_length_a 3.82186766
_cell_length_b 9.74164138
_cell_length_c 12.57036186
_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 Ti4Tl8O12W
_chemical_formula_sum "Ti4 Tl8 O12 W1"
_cell_length_a 3.82186766
_cell_length_b 9.74164138
_cell_length_c 12.57036186
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | f82b500b-4b5e-42cd-8585-fcc9bd9c9a54 | mp-759739 | Insert a La atom in the line between atoms at indices 5 and 15, and the inserted atom must be 3.19 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural V6O3F15
_chemical_formula_sum "V6 O3 F15"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural V6O3F15La
_chemical_formula_sum "V6 O3 F15 La1"
_cell_length_a 8.44599678
_cell_length_b 8.44599678
_cell_length_c 4.56238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000613
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 01372689-2cd4-47ec-9581-27b9fe80a078 | mp-1198663 | Insert a Na atom in the line between atoms at indices 26 and 18, and the inserted atom must be 1.07 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_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 K8Li4H24N12Na
_chemical_formula_sum "K8 Li4 H24 N12 Na1"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 02eb7583-ea42-4e75-a6c2-54ce57728cfb | mp-985591 | Insert a U atom in the line between atoms at indices 2 and 0, and the inserted atom must be 1.25 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Li6PS5Br
_chemical_formula_sum "Li6 P1 S5 Br1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.... | data_image0
_chemical_formula_structural Li6PS5BrU
_chemical_formula_sum "Li6 P1 S5 Br1 U1"
_cell_length_a 7.28689094
_cell_length_b 7.286890940000001
_cell_length_c 7.286890939999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
InsertBetweenAtomsAction | b1801b13-40a7-4d1a-9bd5-b54a12e15705 | mp-753615 | Insert a In atom in the line between atoms at indices 1 and 7, and the inserted atom must be 2.28 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O4F4In
_chemical_formula_sum "Li3 Mn3 O4 F4 In1"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_g... |
InsertBetweenAtomsAction | 8502d1c8-494d-4d4f-88ed-368f1d76ad4a | mp-3887 | Insert a Os atom in the line between atoms at indices 43 and 30, and the inserted atom must be 1.06 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N16Os
_chemical_formula_sum "Li24 Ga8 N16 Os1"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.470385330000... |
InsertBetweenAtomsAction | 50b5eea0-9a7c-4dd0-b91a-1f458588e27c | mp-17235 | Insert a No atom in the line between atoms at indices 41 and 37, and the inserted atom must be 1.19 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural Sm8Si8O28
_chemical_formula_sum "Sm8 Si8 O28"
_cell_length_a 5.40274745
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92.56657233
_space_group_name_H... | data_image0
_chemical_formula_structural Sm8Si8O28No
_chemical_formula_sum "Sm8 Si8 O28 No1"
_cell_length_a 5.40274745
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92.56657233
_space_group_... |
InsertBetweenAtomsAction | e7fd8d63-b213-499f-9749-8cc52d89df9e | mp-1213955 | Insert a Na atom in the line between atoms at indices 25 and 3, and the inserted atom must be 3.13 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Cd4N4O20
_chemical_formula_sum "Cd4 N4 O20"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_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 Cd4N4O20Na
_chemical_formula_sum "Cd4 N4 O20 Na1"
_cell_length_a 3.794464
_cell_length_b 7.601727
_cell_length_c 14.405706
_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 | 4dee5ee2-5107-46b3-9431-bbc8850df71c | mp-1201551 | Insert a Ge atom in the line between atoms at indices 68 and 55, and the inserted atom must be 6.73 angstrom from atom at 68 in the cif file. | data_image0
_chemical_formula_structural Zn2Sb8H36S14N12
_chemical_formula_sum "Zn2 Sb8 H36 S14 N12"
_cell_length_a 7.313892
_cell_length_b 12.110583669999999
_cell_length_c 13.059800959999999
_cell_angle_alpha 103.33840632000002
_cell_angle_beta 90.13459461
_cell_angle_gamma... | data_image0
_chemical_formula_structural Zn2Sb8H36S14N12Ge
_chemical_formula_sum "Zn2 Sb8 H36 S14 N12 Ge1"
_cell_length_a 7.313892
_cell_length_b 12.110583669999999
_cell_length_c 13.059800959999999
_cell_angle_alpha 103.33840632000002
_cell_angle_beta 90.13459461
_cell_angle... |
InsertBetweenAtomsAction | 81d94763-484a-440d-8040-a7d3ca0ce35a | mp-1522623 | Insert a Tc atom in the line between atoms at indices 5 and 6, and the inserted atom must be 1.72 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural BaCaNi4O12
_chemical_formula_sum "Ba1 Ca1 Ni4 O12"
_cell_length_a 5.53109635
_cell_length_b 5.53109635
_cell_length_c 7.7504093
_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 BaCaNi4O12Tc
_chemical_formula_sum "Ba1 Ca1 Ni4 O12 Tc1"
_cell_length_a 5.53109635
_cell_length_b 5.53109635
_cell_length_c 7.7504093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | d06b7533-0618-467b-aec9-2ded3dd46522 | mp-559041 | Insert a Ac atom in the line between atoms at indices 9 and 6, and the inserted atom must be 1.03 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4
_chemical_formula_sum "Tl2 Mo4 Cl14 O4"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space_grou... | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4Ac
_chemical_formula_sum "Tl2 Mo4 Cl14 O4 Ac1"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_spac... |
InsertBetweenAtomsAction | 6bb3d329-60b6-4b0f-a670-1f7e1d094c88 | mp-11677 | Insert a Sc atom in the line between atoms at indices 6 and 16, and the inserted atom must be 2.53 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Sr6Si4As8
_chemical_formula_sum "Sr6 Si4 As8"
_cell_length_a 7.41288523
_cell_length_b 8.18057683
_cell_length_c 9.634138079999998
_cell_angle_alpha 107.99968487
_cell_angle_beta 104.90105808
_cell_angle_gamma 107.46005473
_space_g... | data_image0
_chemical_formula_structural Sr6Si4As8Sc
_chemical_formula_sum "Sr6 Si4 As8 Sc1"
_cell_length_a 7.41288523
_cell_length_b 8.18057683
_cell_length_c 9.634138079999998
_cell_angle_alpha 107.99968487
_cell_angle_beta 104.90105808
_cell_angle_gamma 107.46005473
_s... |
InsertBetweenAtomsAction | 05056e98-d49f-4c55-a330-1f2e0a95c6c2 | mp-11609 | Insert a I atom in the line between atoms at indices 9 and 4, and the inserted atom must be 4.33 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4I
_chemical_formula_sum "Sb2 Mo4 S4 I1"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 8512bbf4-f30b-4a6b-af48-667bbe50ee53 | mp-1245768 | Insert a Tc atom in the line between atoms at indices 5 and 2, and the inserted atom must be 1.82 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mg4Cd2N4
_chemical_formula_sum "Mg4 Cd2 N4"
_cell_length_a 7.927519
_cell_length_b 7.927519
_cell_length_c 7.927519
_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 Mg4Cd2N4Tc
_chemical_formula_sum "Mg4 Cd2 N4 Tc1"
_cell_length_a 7.927519
_cell_length_b 7.927519
_cell_length_c 7.927519
_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 | ce2ebd42-c1b7-43ef-a5bf-a412a81a6d58 | mp-1212370 | Insert a N atom in the line between atoms at indices 20 and 12, and the inserted atom must be 1.93 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Ho12Ge8Rh8
_chemical_formula_sum "Ho12 Ge8 Rh8"
_cell_length_a 5.580697
_cell_length_b 7.843472
_cell_length_c 13.186739
_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 Ho12Ge8Rh8N
_chemical_formula_sum "Ho12 Ge8 Rh8 N1"
_cell_length_a 5.580697
_cell_length_b 7.843472
_cell_length_c 13.186739
_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 | 8282dad0-1a46-4395-aeba-2dc4a70e0822 | mp-1213000 | Insert a Y atom in the line between atoms at indices 9 and 7, and the inserted atom must be 4.23 angstrom from atom at 9 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 Eu2Ag2W4O16Y
_chemical_formula_sum "Eu2 Ag2 W4 O16 Y1"
_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
_sp... |
InsertBetweenAtomsAction | d4f53057-5f66-4239-a60c-37aea7211598 | mp-1195825 | Insert a Lv atom in the line between atoms at indices 33 and 29, and the inserted atom must be 0.53 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Si12Br24
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... | data_image0
_chemical_formula_structural Si12Br24Lv
_chemical_formula_sum "Si12 Br24 Lv1"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996... |
InsertBetweenAtomsAction | ba7ba4eb-ae12-4a37-b5ee-a3a27bb9d947 | mp-4647 | Insert a Br atom in the line between atoms at indices 7 and 4, and the inserted atom must be 7.00 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural K3Cu8Se6
_chemical_formula_sum "K3 Cu8 Se6"
_cell_length_a 9.22750883
_cell_length_b 9.22750883
_cell_length_c 10.12313235
_cell_angle_alpha 75.13046743
_cell_angle_beta 75.13046743
_cell_angle_gamma 24.949460250000026
_space_group... | data_image0
_chemical_formula_structural K3Cu8Se6Br
_chemical_formula_sum "K3 Cu8 Se6 Br1"
_cell_length_a 9.22750883
_cell_length_b 9.22750883
_cell_length_c 10.12313235
_cell_angle_alpha 75.13046743
_cell_angle_beta 75.13046743
_cell_angle_gamma 24.949460250000026
_space... |
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