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 | 5c6232f7-7733-4cb7-a24f-33faf8df4a7a | mp-752908 | Insert a Zr atom in the line between atoms at indices 7 and 8, and the inserted atom must be 2.48 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li6Ni5O10
_chemical_formula_sum "Li6 Ni5 O10"
_cell_length_a 5.173842
_cell_length_b 5.63596531
_cell_length_c 7.7451140800000005
_cell_angle_alpha 70.79099217
_cell_angle_beta 70.80090629
_cell_angle_gamma 66.90567389
_space_group... | data_image0
_chemical_formula_structural Li6Ni5O10Zr
_chemical_formula_sum "Li6 Ni5 O10 Zr1"
_cell_length_a 5.173842
_cell_length_b 5.63596531
_cell_length_c 7.7451140800000005
_cell_angle_alpha 70.79099217
_cell_angle_beta 70.80090629
_cell_angle_gamma 66.90567389
_space... |
InsertBetweenAtomsAction | 64a47fb6-da4f-4cf9-a021-dcb2ad166e22 | mp-1224446 | Insert a Cl atom in the line between atoms at indices 9 and 0, and the inserted atom must be 1.91 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural Hf3TaFe8Cl
_chemical_formula_sum "Hf3 Ta1 Fe8 Cl1"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space... |
InsertBetweenAtomsAction | 065a0304-4c62-4742-9aa9-4408d6a81003 | mp-1234927 | Insert a Lu atom in the line between atoms at indices 2 and 11, and the inserted atom must be 6.40 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural MgFe8O14F2
_chemical_formula_sum "Mg1 Fe8 O14 F2"
_cell_length_a 5.17318023
_cell_length_b 5.174828819999999
_cell_length_c 11.60459846
_cell_angle_alpha 90.64518616999999
_cell_angle_beta 89.40149404
_cell_angle_gamma 102.09013924
... | data_image0
_chemical_formula_structural MgFe8O14F2Lu
_chemical_formula_sum "Mg1 Fe8 O14 F2 Lu1"
_cell_length_a 5.17318023
_cell_length_b 5.174828819999999
_cell_length_c 11.60459846
_cell_angle_alpha 90.64518616999999
_cell_angle_beta 89.40149404
_cell_angle_gamma 102.090... |
InsertBetweenAtomsAction | be28ee22-f510-4fde-80f3-7c6e4c30f78f | mp-2230845 | Insert a Cm atom in the line between atoms at indices 14 and 11, and the inserted atom must be 2.00 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural MgTi2Si4O12
_chemical_formula_sum "Mg1 Ti2 Si4 O12"
_cell_length_a 6.63563542
_cell_length_b 6.63563498
_cell_length_c 5.3560216
_cell_angle_alpha 74.90893322
_cell_angle_beta 105.09106296
_cell_angle_gamma 97.10995471000001
_space... | data_image0
_chemical_formula_structural MgTi2Si4O12Cm
_chemical_formula_sum "Mg1 Ti2 Si4 O12 Cm1"
_cell_length_a 6.63563542
_cell_length_b 6.63563498
_cell_length_c 5.3560216
_cell_angle_alpha 74.90893322
_cell_angle_beta 105.09106296
_cell_angle_gamma 97.10995471000001
... |
InsertBetweenAtomsAction | a64c7663-716f-47d5-bbbc-71f5ec6f5de7 | mp-27741 | Insert a Pm atom in the line between atoms at indices 3 and 11, and the inserted atom must be 4.69 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te4Au4I4Pm
_chemical_formula_sum "Te4 Au4 I4 Pm1"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-... |
InsertBetweenAtomsAction | 5b5a0287-3eed-4841-bf02-ad0f5b8f8467 | mp-600038 | Insert a Be atom in the line between atoms at indices 11 and 4, and the inserted atom must be 3.31 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_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 Si10O20Be
_chemical_formula_sum "Si10 O20 Be1"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_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 | 22b6f016-143a-42fb-9db4-bf38c3c06004 | mp-28179 | Insert a Cr atom in the line between atoms at indices 10 and 5, and the inserted atom must be 2.02 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Ta4Cl24Cr
_chemical_formula_sum "Na4 Ta4 Cl24 Cr1"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 619a7b02-4e3e-4354-a819-b70c6ec394ba | mp-1227155 | Insert a La atom in the line between atoms at indices 0 and 6, and the inserted atom must be 1.67 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ca4Mg4Zn4
_chemical_formula_sum "Ca4 Mg4 Zn4"
_cell_length_a 5.84729168
_cell_length_b 5.84729168
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ca4Mg4Zn4La
_chemical_formula_sum "Ca4 Mg4 Zn4 La1"
_cell_length_a 5.84729168
_cell_length_b 5.84729168
_cell_length_c 9.666851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.83482357
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 37bcab6d-1791-4773-a68f-23ff0c836f50 | mp-1190956 | Insert a Zr atom in the line between atoms at indices 3 and 5, and the inserted atom must be 4.85 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural K4H4C4O12
_chemical_formula_sum "K4 H4 C4 O12"
_cell_length_a 5.58946929
_cell_length_b 5.58946929
_cell_length_c 11.04977441
_cell_angle_alpha 75.80331787
_cell_angle_beta 75.80331787
_cell_angle_gamma 72.81330546
_space_group_nam... | data_image0
_chemical_formula_structural K4H4C4O12Zr
_chemical_formula_sum "K4 H4 C4 O12 Zr1"
_cell_length_a 5.58946929
_cell_length_b 5.58946929
_cell_length_c 11.04977441
_cell_angle_alpha 75.80331787
_cell_angle_beta 75.80331787
_cell_angle_gamma 72.81330546
_space_gro... |
InsertBetweenAtomsAction | bb2f15d2-dd4b-418a-8a08-af701c056054 | mp-1227253 | Insert a Hs atom in the line between atoms at indices 8 and 18, and the inserted atom must be 0.72 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU3Ti8O24Hs
_chemical_formula_sum "Ca1 U3 Ti8 O24 Hs1"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_gro... |
InsertBetweenAtomsAction | 46967aad-2f35-487d-962f-664ac32253dc | mp-1036209 | Insert a Ar atom in the line between atoms at indices 26 and 0, and the inserted atom must be 5.55 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Mg14TiMnO16
_chemical_formula_sum "Mg14 Ti1 Mn1 O16"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_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 Mg14TiMnO16Ar
_chemical_formula_sum "Mg14 Ti1 Mn1 O16 Ar1"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 5a57df5a-a603-4c75-a09a-5dc5a2f3305e | mp-1076382 | Insert a Al atom in the line between atoms at indices 37 and 13, and the inserted atom must be 0.27 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural La7SmFe8O24
_chemical_formula_sum "La7 Sm1 Fe8 O24"
_cell_length_a 7.902464
_cell_length_b 7.902464
_cell_length_c 7.902464
_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 La7SmFe8O24Al
_chemical_formula_sum "La7 Sm1 Fe8 O24 Al1"
_cell_length_a 7.902464
_cell_length_b 7.902464
_cell_length_c 7.902464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 35259035-2e34-48b4-8741-55ca2f2fbdb4 | mp-775903 | Insert a Ra atom in the line between atoms at indices 6 and 19, and the inserted atom must be 3.33 angstrom from atom at 6 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 Li8Mn4P8O28Ra
_chemical_formula_sum "Li8 Mn4 P8 O28 Ra1"
_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 | 587e5e46-4e3c-4662-a398-b34996bbedfc | mp-754739 | Insert a Ti atom in the line between atoms at indices 14 and 8, and the inserted atom must be 4.16 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Ca2Be6O8
_chemical_formula_sum "Ca2 Be6 O8"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca2Be6O8Ti
_chemical_formula_sum "Ca2 Be6 O8 Ti1"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 07ca38c6-2065-4858-9d16-b1a768763847 | mp-560553 | Insert a Bk atom in the line between atoms at indices 14 and 26, and the inserted atom must be 0.41 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Ir4F24
_chemical_formula_sum "Ir4 F24"
_cell_length_a 4.92921834
_cell_length_b 8.50097651
_cell_length_c 9.30116834
_cell_angle_alpha 90.0
_cell_angle_beta 90.00008776
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ir4F24Bk
_chemical_formula_sum "Ir4 F24 Bk1"
_cell_length_a 4.92921834
_cell_length_b 8.50097651
_cell_length_c 9.30116834
_cell_angle_alpha 90.0
_cell_angle_beta 90.00008776
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 78372151-9d0d-4aa4-b7da-cc5e2c93f7cc | mp-1105157 | Insert a Ra atom in the line between atoms at indices 9 and 2, and the inserted atom must be 0.54 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Rb2Nd2Mn2W2O12
_chemical_formula_sum "Rb2 Nd2 Mn2 W2 O12"
_cell_length_a 5.56756288
_cell_length_b 5.674125
_cell_length_c 9.62267506
_cell_angle_alpha 90.0
_cell_angle_beta 92.0812184
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rb2Nd2Mn2W2O12Ra
_chemical_formula_sum "Rb2 Nd2 Mn2 W2 O12 Ra1"
_cell_length_a 5.56756288
_cell_length_b 5.674125
_cell_length_c 9.62267506
_cell_angle_alpha 90.0
_cell_angle_beta 92.0812184
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | 7ab64208-f59e-46c1-9ec3-60a47f9aa3f6 | mp-18973 | Insert a Ni atom in the line between atoms at indices 15 and 6, and the inserted atom must be 1.98 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se8O20Ni
_chemical_formula_sum "Co4 Se8 O20 Ni1"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073... |
InsertBetweenAtomsAction | d7a40f9a-afd1-454c-bc81-1fff9fdc684e | mp-1245851 | Insert a Pb atom in the line between atoms at indices 1 and 30, and the inserted atom must be 2.15 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ca28Cr4N24
_chemical_formula_sum "Ca28 Cr4 N24"
_cell_length_a 11.037586
_cell_length_b 6.251168
_cell_length_c 12.978754
_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 Ca28Cr4N24Pb
_chemical_formula_sum "Ca28 Cr4 N24 Pb1"
_cell_length_a 11.037586
_cell_length_b 6.251168
_cell_length_c 12.978754
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | e7e0a04d-6159-440f-bc1d-0459966e2f21 | mp-1205514 | Insert a Mn atom in the line between atoms at indices 9 and 3, and the inserted atom must be 4.14 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ba2PuTaO6
_chemical_formula_sum "Ba2 Pu1 Ta1 O6"
_cell_length_a 6.10192281
_cell_length_b 6.10192281
_cell_length_c 6.10192281
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Ba2PuTaO6Mn
_chemical_formula_sum "Ba2 Pu1 Ta1 O6 Mn1"
_cell_length_a 6.10192281
_cell_length_b 6.10192281
_cell_length_c 6.10192281
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999... |
InsertBetweenAtomsAction | 23e145a0-3c0f-400a-a0ee-b5dac90d59fb | mp-1073481 | Insert a Yb atom in the line between atoms at indices 4 and 10, and the inserted atom must be 1.82 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
_space... | data_image0
_chemical_formula_structural Mg4Si8Yb
_chemical_formula_sum "Mg4 Si8 Yb1"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
... |
InsertBetweenAtomsAction | 8a678ab6-71b8-4ba3-bbd3-dd82803ee3da | mp-1192994 | Insert a V atom in the line between atoms at indices 13 and 5, and the inserted atom must be 1.69 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Ce6Al2V2S14
_chemical_formula_sum "Ce6 Al2 V2 S14"
_cell_length_a 10.01783423
_cell_length_b 10.01783423
_cell_length_c 5.998724
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000151999997
_space_group_name_H-... | data_image0
_chemical_formula_structural Ce6Al2V2S14V
_chemical_formula_sum "Ce6 Al2 V3 S14"
_cell_length_a 10.01783423
_cell_length_b 10.01783423
_cell_length_c 5.998724
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000151999997
_space_group_name_H... |
InsertBetweenAtomsAction | 19d1fd07-d730-4859-ae87-4bb9724b73f9 | mp-28507 | Insert a V atom in the line between atoms at indices 4 and 73, and the inserted atom must be 2.90 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La16Nb14S44V
_chemical_formula_sum "La16 Nb14 S44 V1"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | c38d0495-e8e8-46b7-98df-ffe6c846b020 | mp-1204890 | Insert a Bi atom in the line between atoms at indices 14 and 8, and the inserted atom must be 1.48 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Zr4N8O36
_chemical_formula_sum "Zr4 N8 O36"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space_group... | data_image0
_chemical_formula_structural Zr4N8O36Bi
_chemical_formula_sum "Zr4 N8 O36 Bi1"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space... |
InsertBetweenAtomsAction | 1fc5700d-40cc-4df1-8666-d69247e31f0c | mp-1203353 | Insert a C atom in the line between atoms at indices 33 and 30, and the inserted atom must be 1.10 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Sr20Pb16
_chemical_formula_sum "Sr20 Pb16"
_cell_length_a 8.615907
_cell_length_b 9.02643
_cell_length_c 17.707516
_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 Sr20Pb16C
_chemical_formula_sum "Sr20 Pb16 C1"
_cell_length_a 8.615907
_cell_length_b 9.02643
_cell_length_c 17.707516
_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... |
InsertBetweenAtomsAction | 6ff3e4cd-1086-41d2-938e-9102f59ab68e | mp-1204185 | Insert a Tm atom in the line between atoms at indices 7 and 10, and the inserted atom must be 1.96 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ag12Te8W6O40
_chemical_formula_sum "Ag12 Te8 W6 O40"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... | data_image0
_chemical_formula_structural Ag12Te8W6O40Tm
_chemical_formula_sum "Ag12 Te8 W6 O40 Tm1"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.3865842799999... |
InsertBetweenAtomsAction | 967af0ba-29d0-42a8-a124-4958d69a370f | mp-1235162 | Insert a Au atom in the line between atoms at indices 2 and 1, and the inserted atom must be 2.41 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ba2LiMn2O6
_chemical_formula_sum "Ba2 Li1 Mn2 O6"
_cell_length_a 6.24510184
_cell_length_b 5.64433747
_cell_length_c 5.25809243
_cell_angle_alpha 90.14061303000001
_cell_angle_beta 74.55834042
_cell_angle_gamma 116.96833983000002
_... | data_image0
_chemical_formula_structural Ba2LiMn2O6Au
_chemical_formula_sum "Ba2 Li1 Mn2 O6 Au1"
_cell_length_a 6.24510184
_cell_length_b 5.64433747
_cell_length_c 5.25809243
_cell_angle_alpha 90.14061303000001
_cell_angle_beta 74.55834042
_cell_angle_gamma 116.96833983000... |
InsertBetweenAtomsAction | 89639eef-f58d-4046-8635-6b19828e0a8c | mp-1197546 | Insert a Rn atom in the line between atoms at indices 17 and 22, and the inserted atom must be 0.91 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Ca4Cu4As4O20
_chemical_formula_sum "Ca4 Cu4 As4 O20"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Ca4Cu4As4O20Rn
_chemical_formula_sum "Ca4 Cu4 As4 O20 Rn1"
_cell_length_a 5.693418
_cell_length_b 7.548846
_cell_length_c 9.686539
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | a415c143-e013-4c53-87b7-ec03d90be471 | mp-886625 | Insert a No atom in the line between atoms at indices 19 and 18, and the inserted atom must be 0.60 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Li5Ni5O10
_chemical_formula_sum "Li5 Ni5 O10"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group_name_... | data_image0
_chemical_formula_structural Li5Ni5O10No
_chemical_formula_sum "Li5 Ni5 O10 No1"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group... |
InsertBetweenAtomsAction | f17e59b9-6db4-451c-85c5-ae25a8ce2733 | mp-672679 | Insert a Ag atom in the line between atoms at indices 7 and 20, and the inserted atom must be 7.85 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Y16In4Ir4
_chemical_formula_sum "Y16 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... | data_image0
_chemical_formula_structural Y16In4Ir4Ag
_chemical_formula_sum "Y16 In4 Ir4 Ag1"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995... |
InsertBetweenAtomsAction | 551e644d-73f5-4567-8895-b3199d382637 | mp-1209251 | Insert a Am atom in the line between atoms at indices 6 and 11, and the inserted atom must be 2.34 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural RbAlSe2O8
_chemical_formula_sum "Rb1 Al1 Se2 O8"
_cell_length_a 5.09350549
_cell_length_b 5.09350549
_cell_length_c 8.914435
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999336
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural RbAlSe2O8Am
_chemical_formula_sum "Rb1 Al1 Se2 O8 Am1"
_cell_length_a 5.09350549
_cell_length_b 5.09350549
_cell_length_c 8.914435
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999336
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 4ea226c9-605b-4906-8f94-66bc3fba13e7 | mp-14794 | Insert a Xe atom in the line between atoms at indices 20 and 19, and the inserted atom must be 4.54 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural K12Co2S8
_chemical_formula_sum "K12 Co2 S8"
_cell_length_a 9.80833811
_cell_length_b 9.80833811
_cell_length_c 7.717331
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000071999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K12Co2S8Xe
_chemical_formula_sum "K12 Co2 S8 Xe1"
_cell_length_a 9.80833811
_cell_length_b 9.80833811
_cell_length_c 7.717331
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000071999999
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 1f36d151-f52f-4590-82a3-0717bda8390e | mp-1245942 | Insert a Nb atom in the line between atoms at indices 8 and 7, and the inserted atom must be 1.75 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Mn4Pb2N4
_chemical_formula_sum "Mn4 Pb2 N4"
_cell_length_a 6.18375855
_cell_length_b 6.19351817
_cell_length_c 8.73133051
_cell_angle_alpha 89.99999556
_cell_angle_beta 45.09050543000001
_cell_angle_gamma 59.94776901
_space_group_n... | data_image0
_chemical_formula_structural Mn4Pb2N4Nb
_chemical_formula_sum "Mn4 Pb2 N4 Nb1"
_cell_length_a 6.18375855
_cell_length_b 6.19351817
_cell_length_c 8.73133051
_cell_angle_alpha 89.99999556
_cell_angle_beta 45.09050543000001
_cell_angle_gamma 59.94776901
_space_g... |
InsertBetweenAtomsAction | d5e9e693-d44f-4e87-a8c1-d4b51bb18980 | mp-1213955 | Insert a Cu atom in the line between atoms at indices 26 and 1, and the inserted atom must be 8.82 angstrom from atom at 26 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 Cd4N4O20Cu
_chemical_formula_sum "Cd4 N4 O20 Cu1"
_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 | f08bd052-0a63-4e50-93a6-dd177fc1c390 | mp-29778 | Insert a Fr atom in the line between atoms at indices 21 and 2, and the inserted atom must be 2.72 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Nd8Ge14
_chemical_formula_sum "Nd8 Ge14"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd8Ge14Fr
_chemical_formula_sum "Nd8 Ge14 Fr1"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 3679ab9f-fcb9-4bbd-a337-e234ae64867b | mp-16811 | Insert a Mc atom in the line between atoms at indices 24 and 20, and the inserted atom must be 5.05 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Ho8Mo4O24
_chemical_formula_sum "Ho8 Mo4 O24"
_cell_length_a 9.82081783
_cell_length_b 9.82081783
_cell_length_c 5.31611533
_cell_angle_alpha 74.81329250999998
_cell_angle_beta 74.81329250999998
_cell_angle_gamma 67.88044095
_space... | data_image0
_chemical_formula_structural Ho8Mo4O24Mc
_chemical_formula_sum "Ho8 Mo4 O24 Mc1"
_cell_length_a 9.82081783
_cell_length_b 9.82081783
_cell_length_c 5.31611533
_cell_angle_alpha 74.81329250999998
_cell_angle_beta 74.81329250999998
_cell_angle_gamma 67.88044095
... |
InsertBetweenAtomsAction | df1795d7-b27f-4fef-b107-a29f95da4d4a | mp-1373426 | Insert a Hs atom in the line between atoms at indices 9 and 11, and the inserted atom must be 1.46 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ca4Ta2V2O12
_chemical_formula_sum "Ca4 Ta2 V2 O12"
_cell_length_a 7.75294
_cell_length_b 5.492636
_cell_length_c 5.676088649999999
_cell_angle_alpha 89.86543361
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca4Ta2V2O12Hs
_chemical_formula_sum "Ca4 Ta2 V2 O12 Hs1"
_cell_length_a 7.75294
_cell_length_b 5.492636
_cell_length_c 5.676088649999999
_cell_angle_alpha 89.86543361
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 8ebff372-836f-42ff-8f7e-9b0575785d63 | mp-777558 | Insert a Rh atom in the line between atoms at indices 50 and 35, and the inserted atom must be 5.15 angstrom from atom at 50 in the cif file. | data_image0
_chemical_formula_structural Li32Ti3Cr13O48
_chemical_formula_sum "Li32 Ti3 Cr13 O48"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_space_g... | data_image0
_chemical_formula_structural Li32Ti3Cr13O48Rh
_chemical_formula_sum "Li32 Ti3 Cr13 O48 Rh1"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_s... |
InsertBetweenAtomsAction | 91d3e6fc-14e7-4098-aaed-4bdae54b577b | mp-556173 | Insert a Tc atom in the line between atoms at indices 48 and 37, and the inserted atom must be 2.82 angstrom from atom at 48 in the cif file. | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F12
_chemical_formula_sum "Zn1 As2 C6 S12 N12 O6 F12"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000365999... | data_image0
_chemical_formula_structural ZnAs2C6S12N12O6F12Tc
_chemical_formula_sum "Zn1 As2 C6 S12 N12 O6 F12 Tc1"
_cell_length_a 12.13840467
_cell_length_b 12.138404669999998
_cell_length_c 6.862646
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000... |
InsertBetweenAtomsAction | 0f1b9907-868e-429c-ac5d-c9220bc59da2 | mp-28263 | Insert a Cm atom in the line between atoms at indices 14 and 2, and the inserted atom must be 2.34 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural K4H12O8
_chemical_formula_sum "K4 H12 O8"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural K4H12O8Cm
_chemical_formula_sum "K4 H12 O8 Cm1"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | e7a1e789-9d44-4bfd-acb3-7b8860ceeb9d | mp-1217519 | Insert a Ca atom in the line between atoms at indices 15 and 17, and the inserted atom must be 1.23 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Th2V4Pb2O16
_chemical_formula_sum "Th2 V4 Pb2 O16"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_space_... | data_image0
_chemical_formula_structural Th2V4Pb2O16Ca
_chemical_formula_sum "Th2 V4 Pb2 O16 Ca1"
_cell_length_a 6.80264855
_cell_length_b 7.00778456
_cell_length_c 7.31435521
_cell_angle_alpha 88.92328545000001
_cell_angle_beta 87.87128071
_cell_angle_gamma 75.82591832
_... |
InsertBetweenAtomsAction | 6d1c659c-c0fd-4bb8-b632-723b34da8fe3 | mp-1106213 | Insert a Hf atom in the line between atoms at indices 16 and 11, and the inserted atom must be 2.02 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Nd4Mg2Ir2O12
_chemical_formula_sum "Nd4 Mg2 Ir2 O12"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd4Mg2Ir2O12Hf
_chemical_formula_sum "Nd4 Mg2 Ir2 O12 Hf1"
_cell_length_a 5.730526
_cell_length_b 5.522466
_cell_length_c 9.62707603
_cell_angle_alpha 54.87808868
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | cc9591a9-a2c6-4c93-acc0-005942b4ea25 | mp-1247447 | Insert a Mo atom in the line between atoms at indices 13 and 7, and the inserted atom must be 1.11 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Mg2Sc3MnS8
_chemical_formula_sum "Mg2 Sc3 Mn1 S8"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_space_... | data_image0
_chemical_formula_structural Mg2Sc3MnS8Mo
_chemical_formula_sum "Mg2 Sc3 Mn1 S8 Mo1"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_... |
InsertBetweenAtomsAction | cc983521-f2e1-47cf-b7a7-17e44069ff83 | mp-1210947 | Insert a Cs atom in the line between atoms at indices 5 and 20, and the inserted atom must be 2.44 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Lu2Ag2W4O16
_chemical_formula_sum "Lu2 Ag2 W4 O16"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_space_g... | data_image0
_chemical_formula_structural Lu2Ag2W4O16Cs
_chemical_formula_sum "Lu2 Ag2 W4 O16 Cs1"
_cell_length_a 7.30273406
_cell_length_b 7.302734059999999
_cell_length_c 7.27179264
_cell_angle_alpha 66.0465554
_cell_angle_beta 66.0465554
_cell_angle_gamma 94.31513562
_s... |
InsertBetweenAtomsAction | f1826357-7ab9-4e95-89d3-b188b56d2d58 | mp-1205853 | Insert a Pr atom in the line between atoms at indices 3 and 5, and the inserted atom must be 1.37 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Nd4In2Au4
_chemical_formula_sum "Nd4 In2 Au4"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_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 Nd4In2Au4Pr
_chemical_formula_sum "Nd4 In2 Au4 Pr1"
_cell_length_a 8.04285031
_cell_length_b 8.04285031
_cell_length_c 3.92047908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | ff334709-c611-4379-9dbb-b5fe61744116 | mp-1235023 | Insert a Er atom in the line between atoms at indices 13 and 1, and the inserted atom must be 3.97 angstrom from atom at 13 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 LiZn2Fe4O8Er
_chemical_formula_sum "Li1 Zn2 Fe4 O8 Er1"
_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 | 1e25af52-5cdc-40d5-9189-a55d35340223 | mp-1228731 | Insert a F atom in the line between atoms at indices 13 and 41, and the inserted atom must be 4.58 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O32"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.11374492
... | data_image0
_chemical_formula_structural Ba2Li3La3Mo8O32F
_chemical_formula_sum "Ba2 Li3 La3 Mo8 O32 F1"
_cell_length_a 5.410768
_cell_length_b 7.12630652
_cell_length_c 19.5086422
_cell_angle_alpha 89.28252639999998
_cell_angle_beta 89.65150307
_cell_angle_gamma 68.113744... |
InsertBetweenAtomsAction | 796fbce9-a70c-4e82-ad5a-72ab6f72ce5b | mp-2241183 | Insert a Mn atom in the line between atoms at indices 5 and 10, and the inserted atom must be 1.83 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural MgNb3SiO10
_chemical_formula_sum "Mg1 Nb3 Si1 O10"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002... | data_image0
_chemical_formula_structural MgNb3SiO10Mn
_chemical_formula_sum "Mg1 Nb3 Si1 O10 Mn1"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386... |
InsertBetweenAtomsAction | 2a343db0-49c0-4b24-b057-aa0522dd9bc5 | mp-1522797 | Insert a Sg atom in the line between atoms at indices 2 and 1, and the inserted atom must be 3.50 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural BaTiNbGaO6
_chemical_formula_sum "Ba1 Ti1 Nb1 Ga1 O6"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... | data_image0
_chemical_formula_structural BaTiNbGaO6Sg
_chemical_formula_sum "Ba1 Ti1 Nb1 Ga1 O6 Sg1"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00... |
InsertBetweenAtomsAction | 191f1995-c3f2-472d-97c0-93199ab68fab | mp-1245775 | Insert a Ac atom in the line between atoms at indices 4 and 14, and the inserted atom must be 3.98 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Sr12Ta8N16
_chemical_formula_sum "Sr12 Ta8 N16"
_cell_length_a 6.158844
_cell_length_b 10.799599
_cell_length_c 10.015613
_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 Sr12Ta8N16Ac
_chemical_formula_sum "Sr12 Ta8 N16 Ac1"
_cell_length_a 6.158844
_cell_length_b 10.799599
_cell_length_c 10.015613
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 985f540f-8c1a-471a-9ccc-19e1c534bc7e | mp-2220668 | Insert a Ca atom in the line between atoms at indices 14 and 13, and the inserted atom must be 5.00 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Sr2MgTi6N2O11
_chemical_formula_sum "Sr2 Mg1 Ti6 N2 O11"
_cell_length_a 3.80235431
_cell_length_b 7.998764460000001
_cell_length_c 10.69973714
_cell_angle_alpha 72.97223192
_cell_angle_beta 89.99766364
_cell_angle_gamma 76.25787147
... | data_image0
_chemical_formula_structural Sr2MgTi6N2O11Ca
_chemical_formula_sum "Sr2 Mg1 Ti6 N2 O11 Ca1"
_cell_length_a 3.80235431
_cell_length_b 7.998764460000001
_cell_length_c 10.69973714
_cell_angle_alpha 72.97223192
_cell_angle_beta 89.99766364
_cell_angle_gamma 76.257... |
InsertBetweenAtomsAction | 248f4192-c7fe-4368-8884-f91469823473 | mp-758878 | Insert a Co atom in the line between atoms at indices 26 and 11, and the inserted atom must be 3.88 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... | data_image0
_chemical_formula_structural Li3Fe8O3F13Co
_chemical_formula_sum "Li3 Fe8 O3 F13 Co1"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129... |
InsertBetweenAtomsAction | 0453d57d-d9cf-4b64-a9b7-741e9dfe6188 | mp-1175561 | Insert a Mo atom in the line between atoms at indices 18 and 14, and the inserted atom must be 5.52 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.101485
_cell_length_b 5.872855
_cell_length_c 10.069959919999999
_cell_angle_alpha 105.5057263
_cell_angle_beta 100.71809932000001
_cell_angle_gamma 90.36779529
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Mo
_chemical_formula_sum "Li9 Mn2 Co5 O16 Mo1"
_cell_length_a 5.101485
_cell_length_b 5.872855
_cell_length_c 10.069959919999999
_cell_angle_alpha 105.5057263
_cell_angle_beta 100.71809932000001
_cell_angle_gamma 90.3677... |
InsertBetweenAtomsAction | 3fc330f0-a88e-4bc8-9beb-df7c2c1a0446 | mp-1746 | Insert a S atom in the line between atoms at indices 7 and 10, and the inserted atom must be 0.51 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mg4F8
_chemical_formula_sum "Mg4 F8"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_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_num... | data_image0
_chemical_formula_structural Mg4F8S
_chemical_formula_sum "Mg4 F8 S1"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_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... |
InsertBetweenAtomsAction | 2d8f0f5c-c5da-401a-b0d9-e6eb144d52b8 | mp-1223525 | Insert a Hg atom in the line between atoms at indices 24 and 1, and the inserted atom must be 1.65 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural KLa7Cu4O16
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... | data_image0
_chemical_formula_structural KLa7Cu4O16Hg
_chemical_formula_sum "K1 La7 Cu4 O16 Hg1"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5... |
InsertBetweenAtomsAction | e9982517-926e-477f-9182-b20721f4b66f | mp-1110869 | Insert a Au atom in the line between atoms at indices 0 and 2, and the inserted atom must be 2.18 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural K2LiBiCl6
_chemical_formula_sum "K2 Li1 Bi1 Cl6"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2LiBiCl6Au
_chemical_formula_sum "K2 Li1 Bi1 Cl6 Au1"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
InsertBetweenAtomsAction | eee5a233-86b1-4183-b833-f6b07e271e89 | mp-541646 | Insert a Ir atom in the line between atoms at indices 13 and 9, and the inserted atom must be 1.68 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Cs6Ru4Cl18
_chemical_formula_sum "Cs6 Ru4 Cl18"
_cell_length_a 7.32403622
_cell_length_b 7.32402811
_cell_length_c 17.73420393
_cell_angle_alpha 89.99982571
_cell_angle_beta 90.00021655999998
_cell_angle_gamma 120.00020056
_space_g... | data_image0
_chemical_formula_structural Cs6Ru4Cl18Ir
_chemical_formula_sum "Cs6 Ru4 Cl18 Ir1"
_cell_length_a 7.32403622
_cell_length_b 7.32402811
_cell_length_c 17.73420393
_cell_angle_alpha 89.99982571
_cell_angle_beta 90.00021655999998
_cell_angle_gamma 120.00020056
_s... |
InsertBetweenAtomsAction | 830f4262-aded-4e2a-a456-037157451c60 | mp-1227353 | Insert a Pr atom in the line between atoms at indices 7 and 2, and the inserted atom must be 1.22 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ce4Ni2Sn4Pt2
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_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 Ce4Ni2Sn4Pt2Pr
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2 Pr1"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | c24356ec-d184-4f66-8af9-7f2760489b0b | mp-26157 | Insert a Pa atom in the line between atoms at indices 42 and 70, and the inserted atom must be 6.09 angstrom from atom at 42 in the cif file. | data_image0
_chemical_formula_structural Li4Sb4P16O48
_chemical_formula_sum "Li4 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li4Sb4P16O48Pa
_chemical_formula_sum "Li4 Sb4 P16 O48 Pa1"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | b07c1f2b-2741-4c68-8989-5582e3587bef | mp-1520897 | Insert a K atom in the line between atoms at indices 2 and 3, and the inserted atom must be 3.86 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Sr2CrBiO6
_chemical_formula_sum "Sr2 Cr1 Bi1 O6"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Sr2CrBiO6K
_chemical_formula_sum "Sr2 Cr1 Bi1 O6 K1"
_cell_length_a 5.78690587
_cell_length_b 5.78690587
_cell_length_c 5.78690587
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... |
InsertBetweenAtomsAction | 9007f66b-c85f-4466-8e75-68377e807d96 | mp-755481 | Insert a Nh atom in the line between atoms at indices 2 and 14, and the inserted atom must be 2.61 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ca2Cl4O12
_chemical_formula_sum "Ca2 Cl4 O12"
_cell_length_a 6.71155429
_cell_length_b 6.711554289999999
_cell_length_c 7.68956939
_cell_angle_alpha 58.98193461999998
_cell_angle_beta 58.98193461999998
_cell_angle_gamma 67.75361514
... | data_image0
_chemical_formula_structural Ca2Cl4O12Nh
_chemical_formula_sum "Ca2 Cl4 O12 Nh1"
_cell_length_a 6.71155429
_cell_length_b 6.711554289999999
_cell_length_c 7.68956939
_cell_angle_alpha 58.98193461999998
_cell_angle_beta 58.98193461999998
_cell_angle_gamma 67.753... |
InsertBetweenAtomsAction | aada9d18-92b4-43d7-8950-1a567f29af21 | mp-781738 | Insert a Lu atom in the line between atoms at indices 22 and 16, and the inserted atom must be 6.08 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Na12V4B8S2O32
_chemical_formula_sum "Na12 V4 B8 S2 O32"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural Na12V4B8S2O32Lu
_chemical_formula_sum "Na12 V4 B8 S2 O32 Lu1"
_cell_length_a 9.93543717
_cell_length_b 9.93543717
_cell_length_c 9.93543717
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.... |
InsertBetweenAtomsAction | e2ca54ce-a80f-4f66-b555-2af6d0f336e7 | mp-2227841 | Insert a Fl atom in the line between atoms at indices 12 and 6, and the inserted atom must be 2.44 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Tm2MgV2O8
_chemical_formula_sum "Tm2 Mg1 V2 O8"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_space_... | data_image0
_chemical_formula_structural Tm2MgV2O8Fl
_chemical_formula_sum "Tm2 Mg1 V2 O8 Fl1"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_... |
InsertBetweenAtomsAction | 16d1c052-dd79-4822-9639-562e2b027a4b | mp-1027815 | Insert a Au atom in the line between atoms at indices 4 and 11, and the inserted atom must be 2.36 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg14CoAu
_chemical_formula_sum "K1 Mg14 Co1 Au1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 20a3ca3f-8869-49c6-b2e9-cff8311bd396 | mp-1021697 | Insert a Te atom in the line between atoms at indices 13 and 6, and the inserted atom must be 2.63 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Mg12Ti2V2
_chemical_formula_sum "Mg12 Ti2 V2"
_cell_length_a 5.016739
_cell_length_b 6.090405
_cell_length_c 10.871319
_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 Mg12Ti2V2Te
_chemical_formula_sum "Mg12 Ti2 V2 Te1"
_cell_length_a 5.016739
_cell_length_b 6.090405
_cell_length_c 10.871319
_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 | 49bea961-f45e-4541-88be-42020f13ca9c | mp-1202826 | Insert a Fm atom in the line between atoms at indices 4 and 20, and the inserted atom must be 2.73 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Gd8U4S20
_chemical_formula_sum "Gd8 U4 S20"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_space_g... | data_image0
_chemical_formula_structural Gd8U4S20Fm
_chemical_formula_sum "Gd8 U4 S20 Fm1"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_s... |
InsertBetweenAtomsAction | 117bb183-bf0f-43f3-a9a0-ba3fd358c924 | mp-1041071 | Insert a Sn atom in the line between atoms at indices 4 and 29, and the inserted atom must be 3.11 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Mg4Co8P8O32
_chemical_formula_sum "Mg4 Co8 P8 O32"
_cell_length_a 8.79836301
_cell_length_b 8.79836301
_cell_length_c 16.47690147
_cell_angle_alpha 60.88531827999999
_cell_angle_beta 60.88531827999999
_cell_angle_gamma 33.5818560400... | data_image0
_chemical_formula_structural Mg4Co8P8O32Sn
_chemical_formula_sum "Mg4 Co8 P8 O32 Sn1"
_cell_length_a 8.79836301
_cell_length_b 8.79836301
_cell_length_c 16.47690147
_cell_angle_alpha 60.88531827999999
_cell_angle_beta 60.88531827999999
_cell_angle_gamma 33.5818... |
InsertBetweenAtomsAction | bc2799a6-6b7f-44b4-a585-d21416855f96 | mp-1105286 | Insert a Ti atom in the line between atoms at indices 0 and 6, and the inserted atom must be 1.43 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Eu9Pd6
_chemical_formula_sum "Eu9 Pd6"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group_name_... | data_image0
_chemical_formula_structural Eu9Pd6Ti
_chemical_formula_sum "Eu9 Pd6 Ti1"
_cell_length_a 7.82315942
_cell_length_b 7.82313956
_cell_length_c 7.823093980000001
_cell_angle_alpha 71.56246473
_cell_angle_beta 71.56151988
_cell_angle_gamma 71.56088198
_space_group... |
InsertBetweenAtomsAction | 40278a35-9225-4a8e-801c-a4554c9ff2fb | mp-557500 | Insert a Kr atom in the line between atoms at indices 2 and 1, and the inserted atom must be 2.41 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiP2S6Kr
_chemical_formula_sum "Li1 Ni1 P2 S6 Kr1"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_spa... |
InsertBetweenAtomsAction | 601350e7-ca87-434d-815a-2a55c60a2d47 | mp-2230050 | Insert a Cr atom in the line between atoms at indices 7 and 0, and the inserted atom must be 1.71 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335
_spa... | data_image0
_chemical_formula_structural MgFe6O6F6Cr
_chemical_formula_sum "Mg1 Fe6 O6 F6 Cr1"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335... |
InsertBetweenAtomsAction | b3bd2e8d-b696-4573-b4c1-737e97e3e0e9 | mp-1034797 | Insert a Y atom in the line between atoms at indices 22 and 14, and the inserted atom must be 3.59 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural RbNaMg14O15Y
_chemical_formula_sum "Rb1 Na1 Mg14 O15 Y1"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 92fa44d3-25d8-4b6f-a846-9fb2b1e8cf05 | mp-1026435 | Insert a N atom in the line between atoms at indices 5 and 4, and the inserted atom must be 3.46 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg14TiMoN
_chemical_formula_sum "Mg14 Ti1 Mo1 N1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M... |
InsertBetweenAtomsAction | 7a6ab2a6-6503-4aa3-801a-25ed633a6fd4 | mp-1276479 | Insert a Sg atom in the line between atoms at indices 23 and 4, and the inserted atom must be 0.83 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Na2Ni10O12
_chemical_formula_sum "Na2 Ni10 O12"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.34237754000002
_s... | data_image0
_chemical_formula_structural Na2Ni10O12Sg
_chemical_formula_sum "Na2 Ni10 O12 Sg1"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.342377540000... |
InsertBetweenAtomsAction | 15af5add-cd99-4234-8b44-06e17d5342a1 | mp-28088 | Insert a He atom in the line between atoms at indices 10 and 8, and the inserted atom must be 11.45 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ca10Al4Bi12
_chemical_formula_sum "Ca10 Al4 Bi12"
_cell_length_a 4.587922
_cell_length_b 7.587673
_cell_length_c 23.580293
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ca10Al4Bi12He
_chemical_formula_sum "Ca10 Al4 Bi12 He1"
_cell_length_a 4.587922
_cell_length_b 7.587673
_cell_length_c 23.580293
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 3cb82778-75d9-40e4-8675-656bf4505981 | mp-551214 | Insert a Bi atom in the line between atoms at indices 8 and 1, and the inserted atom must be 0.47 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ce2Cr2S4O2
_chemical_formula_sum "Ce2 Cr2 S4 O2"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960999999... | data_image0
_chemical_formula_structural Ce2Cr2S4O2Bi
_chemical_formula_sum "Ce2 Cr2 S4 O2 Bi1"
_cell_length_a 5.95918329
_cell_length_b 5.95918329
_cell_length_c 8.0268865
_cell_angle_alpha 89.79610506000002
_cell_angle_beta 89.79610506000002
_cell_angle_gamma 36.96267960... |
InsertBetweenAtomsAction | 5c8480bf-f9bb-457f-8e77-46b6f1a5d449 | mp-1195405 | Insert a Os atom in the line between atoms at indices 4 and 30, and the inserted atom must be 0.58 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ho4Mn4Cu16P12
_chemical_formula_sum "Ho4 Mn4 Cu16 P12"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_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 Ho4Mn4Cu16P12Os
_chemical_formula_sum "Ho4 Mn4 Cu16 P12 Os1"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 9584ee73-1816-41f9-b119-c33cbe9cb6e9 | mp-1226187 | Insert a Lr atom in the line between atoms at indices 0 and 25, and the inserted atom must be 2.18 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Cs3Rb5Se4O16
_chemical_formula_sum "Cs3 Rb5 Se4 O16"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs3Rb5Se4O16Lr
_chemical_formula_sum "Cs3 Rb5 Se4 O16 Lr1"
_cell_length_a 6.422812
_cell_length_b 8.37181042
_cell_length_c 11.19787457
_cell_angle_alpha 90.03647125
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 997284c0-6a8a-4953-a1cd-0bf01a45c6f3 | mp-1173945 | Insert a Lu atom in the line between atoms at indices 0 and 10, and the inserted atom must be 2.58 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li6Mn4O10
_chemical_formula_sum "Li6 Mn4 O10"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_space_gro... | data_image0
_chemical_formula_structural Li6Mn4O10Lu
_chemical_formula_sum "Li6 Mn4 O10 Lu1"
_cell_length_a 2.88677384
_cell_length_b 9.87527634
_cell_length_c 6.744225100000001
_cell_angle_alpha 103.09512629
_cell_angle_beta 77.64228958
_cell_angle_gamma 90.00187715
_spa... |
InsertBetweenAtomsAction | 91b2eb66-60ff-4d59-a1ef-5ee7a60cd23e | mp-1095566 | Insert a Hg atom in the line between atoms at indices 6 and 10, and the inserted atom must be 3.11 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural La2Co8B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2Co8B2Hg
_chemical_formula_sum "La2 Co8 B2 Hg1"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | a9109642-ffbe-44ce-9fb0-1677a608fb54 | mp-1208738 | Insert a Pt atom in the line between atoms at indices 12 and 8, and the inserted atom must be 0.81 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Tb12Ni6Pb
_chemical_formula_sum "Tb12 Ni6 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Tb12Ni6PbPt
_chemical_formula_sum "Tb12 Ni6 Pb1 Pt1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_g... |
InsertBetweenAtomsAction | c4401f2a-c85e-4a41-b6a1-073095145fcd | mp-760194 | Insert a Co atom in the line between atoms at indices 3 and 30, and the inserted atom must be 0.93 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li8V8F48
_chemical_formula_sum "Li8 V8 F48"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li8V8F48Co
_chemical_formula_sum "Li8 V8 F48 Co1"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 1c18ac3e-cd0b-4f73-991c-c9b128fef9d7 | mp-776000 | Insert a Cu atom in the line between atoms at indices 7 and 25, and the inserted atom must be 1.22 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ti3Mn2SbP6O24
_chemical_formula_sum "Ti3 Mn2 Sb1 P6 O24"
_cell_length_a 8.7677868
_cell_length_b 8.7677868
_cell_length_c 8.76778687
_cell_angle_alpha 60.14399787999999
_cell_angle_beta 60.14399787999999
_cell_angle_gamma 60.1440039... | data_image0
_chemical_formula_structural Ti3Mn2SbP6O24Cu
_chemical_formula_sum "Ti3 Mn2 Sb1 P6 O24 Cu1"
_cell_length_a 8.7677868
_cell_length_b 8.7677868
_cell_length_c 8.76778687
_cell_angle_alpha 60.14399787999999
_cell_angle_beta 60.14399787999999
_cell_angle_gamma 60.1... |
InsertBetweenAtomsAction | 33304b12-f990-4eb1-b582-b494860fa457 | mp-556656 | Insert a Og atom in the line between atoms at indices 22 and 6, and the inserted atom must be 4.23 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Mn12B28Cl4O52
_chemical_formula_sum "Mn12 B28 Cl4 O52"
_cell_length_a 8.77641
_cell_length_b 8.778342
_cell_length_c 12.431005
_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 Mn12B28Cl4O52Og
_chemical_formula_sum "Mn12 B28 Cl4 O52 Og1"
_cell_length_a 8.77641
_cell_length_b 8.778342
_cell_length_c 12.431005
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 7b4cf741-4b08-4542-ab71-cc87d56a7b0f | mp-673174 | Insert a Ta atom in the line between atoms at indices 28 and 3, and the inserted atom must be 2.95 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Fe24N9
_chemical_formula_sum "Fe24 N9"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
_space... | data_image0
_chemical_formula_structural Fe24N9Ta
_chemical_formula_sum "Fe24 N9 Ta1"
_cell_length_a 9.18370994
_cell_length_b 9.18370994
_cell_length_c 4.68417068
_cell_angle_alpha 89.98556771000001
_cell_angle_beta 89.98556771000001
_cell_angle_gamma 124.06654597999999
... |
InsertBetweenAtomsAction | a64d3ddf-000e-4ca6-a8bf-348f2136710d | mp-640383 | Insert a Pm atom in the line between atoms at indices 6 and 30, and the inserted atom must be 2.67 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ho20Ni4Sb8
_chemical_formula_sum "Ho20 Ni4 Sb8"
_cell_length_a 7.90777468
_cell_length_b 8.69236289
_cell_length_c 12.08376576
_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 Ho20Ni4Sb8Pm
_chemical_formula_sum "Ho20 Ni4 Sb8 Pm1"
_cell_length_a 7.90777468
_cell_length_b 8.69236289
_cell_length_c 12.08376576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 20eed7b1-61b7-4750-b607-3603d54e40fa | mp-1224597 | Insert a Ba atom in the line between atoms at indices 13 and 40, and the inserted atom must be 1.90 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural K8Nb8As8O44
_chemical_formula_sum "K8 Nb8 As8 O44"
_cell_length_a 10.52112835
_cell_length_b 10.01505432
_cell_length_c 10.36661248
_cell_angle_alpha 83.00976495
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K8Nb8As8O44Ba
_chemical_formula_sum "K8 Nb8 As8 O44 Ba1"
_cell_length_a 10.52112835
_cell_length_b 10.01505432
_cell_length_c 10.36661248
_cell_angle_alpha 83.00976495
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | 3030e149-84f4-47eb-aa03-75f791c39988 | mp-557081 | Insert a Ru atom in the line between atoms at indices 37 and 17, and the inserted atom must be 3.57 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural Ba14Cr14O42
_chemical_formula_sum "Ba14 Cr14 O42"
_cell_length_a 5.74069414
_cell_length_b 5.74069414
_cell_length_c 32.846124
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000016
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba14Cr14O42Ru
_chemical_formula_sum "Ba14 Cr14 O42 Ru1"
_cell_length_a 5.74069414
_cell_length_b 5.74069414
_cell_length_c 32.846124
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000016
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 1662cb7a-bc0b-4267-9aa9-b089c48ed9cb | mp-1202797 | Insert a Rg atom in the line between atoms at indices 46 and 31, and the inserted atom must be 0.88 angstrom from atom at 46 in the cif file. | data_image0
_chemical_formula_structural Ag4H24C6S6Br4N12
_chemical_formula_sum "Ag4 H24 C6 S6 Br4 N12"
_cell_length_a 4.442491
_cell_length_b 8.407144
_cell_length_c 22.01302039
_cell_angle_alpha 90.0
_cell_angle_beta 101.07856111
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ag4H24C6S6Br4N12Rg
_chemical_formula_sum "Ag4 H24 C6 S6 Br4 N12 Rg1"
_cell_length_a 4.442491
_cell_length_b 8.407144
_cell_length_c 22.01302039
_cell_angle_alpha 90.0
_cell_angle_beta 101.07856111
_cell_angle_gamma 90.0
_space_grou... |
InsertBetweenAtomsAction | 71283756-b644-46b0-816e-a26c3c44b1f9 | mp-4721 | Insert a Mn atom in the line between atoms at indices 24 and 12, and the inserted atom must be 5.41 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Rb4Sb12Se20
_chemical_formula_sum "Rb4 Sb12 Se20"
_cell_length_a 8.80451087
_cell_length_b 9.69550567
_cell_length_c 13.15641808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.79824545
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Rb4Sb12Se20Mn
_chemical_formula_sum "Rb4 Sb12 Se20 Mn1"
_cell_length_a 8.80451087
_cell_length_b 9.69550567
_cell_length_c 13.15641808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.79824545
_space_group_name_H-M... |
InsertBetweenAtomsAction | 2672f136-17dd-4d89-a736-e2f0de45b820 | mp-1369271 | Insert a V atom in the line between atoms at indices 19 and 3, and the inserted atom must be 0.84 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Ti2Zn4Sb2O12
_chemical_formula_sum "Ti2 Zn4 Sb2 O12"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ti2Zn4Sb2O12V
_chemical_formula_sum "Ti2 Zn4 Sb2 O12 V1"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 42ad60c4-67c7-423f-a470-d3f33b8f7b52 | mp-613677 | Insert a Sm atom in the line between atoms at indices 7 and 4, and the inserted atom must be 4.37 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Gd4Mn4Ge4
_chemical_formula_sum "Gd4 Mn4 Ge4"
_cell_length_a 3.883324
_cell_length_b 7.035758
_cell_length_c 8.062189
_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 Gd4Mn4Ge4Sm
_chemical_formula_sum "Gd4 Mn4 Ge4 Sm1"
_cell_length_a 3.883324
_cell_length_b 7.035758
_cell_length_c 8.062189
_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 | 53e7347d-3dab-4d3e-a94e-f95fa627d28c | mp-755893 | Insert a Ne atom in the line between atoms at indices 13 and 3, and the inserted atom must be 2.10 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Ca4Bi4O12
_chemical_formula_sum "Ca4 Bi4 O12"
_cell_length_a 5.75831054
_cell_length_b 6.02554523
_cell_length_c 8.33034702
_cell_angle_alpha 90.0
_cell_angle_beta 90.10598141
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ca4Bi4O12Ne
_chemical_formula_sum "Ca4 Bi4 O12 Ne1"
_cell_length_a 5.75831054
_cell_length_b 6.02554523
_cell_length_c 8.33034702
_cell_angle_alpha 90.0
_cell_angle_beta 90.10598141
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 08b7678d-11a4-4961-8daf-8e7e8be97fe5 | mp-1041312 | Insert a Db atom in the line between atoms at indices 1 and 2, and the inserted atom must be 2.32 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural BaMn4O8
_chemical_formula_sum "Ba1 Mn4 O8"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaMn4O8Db
_chemical_formula_sum "Ba1 Mn4 O8 Db1"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 64cf49e4-5856-4e5b-b644-9f8420fac97e | mp-27353 | Insert a Hs atom in the line between atoms at indices 53 and 42, and the inserted atom must be 5.05 angstrom from atom at 53 in the cif file. | data_image0
_chemical_formula_structural Sb12Cl24F36
_chemical_formula_sum "Sb12 Cl24 F36"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sb12Cl24F36Hs
_chemical_formula_sum "Sb12 Cl24 F36 Hs1"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 3618eb1f-b26e-4519-954d-62b9a5f8f6fc | mp-1028643 | Insert a S atom in the line between atoms at indices 2 and 11, and the inserted atom must be 1.05 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te6Mo2W2S3
_chemical_formula_sum "Te6 Mo2 W2 S3"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_name_H-M... |
InsertBetweenAtomsAction | 9e019b3f-75eb-44dc-aac1-962bae33bb99 | mp-759873 | Insert a Db atom in the line between atoms at indices 21 and 40, and the inserted atom must be 4.17 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Sb16O22F4
_chemical_formula_sum "Sb16 O22 F4"
_cell_length_a 4.244161
_cell_length_b 10.515138
_cell_length_c 18.170208560000003
_cell_angle_alpha 88.98562154
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb16O22F4Db
_chemical_formula_sum "Sb16 O22 F4 Db1"
_cell_length_a 4.244161
_cell_length_b 10.515138
_cell_length_c 18.170208560000003
_cell_angle_alpha 88.98562154
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | 5d8261bd-be57-41de-8572-bbd2edd82f74 | mp-734012 | Insert a Ra atom in the line between atoms at indices 61 and 0, and the inserted atom must be 0.76 angstrom from atom at 61 in the cif file. | data_image0
_chemical_formula_structural K8Lu4Si16O44
_chemical_formula_sum "K8 Lu4 Si16 O44"
_cell_length_a 8.625046
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K8Lu4Si16O44Ra
_chemical_formula_sum "K8 Lu4 Si16 O44 Ra1"
_cell_length_a 8.625046
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | 68889e8a-13be-423c-a3cc-8aed956463dc | mp-2217543 | Insert a C atom in the line between atoms at indices 6 and 4, and the inserted atom must be 1.85 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural MgCoP2O7
_chemical_formula_sum "Mg1 Co1 P2 O7"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962
_spa... | data_image0
_chemical_formula_structural MgCoP2O7C
_chemical_formula_sum "Mg1 Co1 P2 O7 C1"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962
... |
InsertBetweenAtomsAction | 662f519d-8674-4c85-b98b-1ee072adef1e | mp-733763 | Insert a Cd atom in the line between atoms at indices 27 and 24, and the inserted atom must be 5.24 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Cr4Hg4H4O18
_chemical_formula_sum "Cr4 Hg4 H4 O18"
_cell_length_a 6.59140315
_cell_length_b 6.59140315
_cell_length_c 13.51529886
_cell_angle_alpha 72.78458591
_cell_angle_beta 72.78458591
_cell_angle_gamma 47.698904199999994
_spac... | data_image0
_chemical_formula_structural Cr4Hg4H4O18Cd
_chemical_formula_sum "Cr4 Hg4 H4 O18 Cd1"
_cell_length_a 6.59140315
_cell_length_b 6.59140315
_cell_length_c 13.51529886
_cell_angle_alpha 72.78458591
_cell_angle_beta 72.78458591
_cell_angle_gamma 47.698904199999994
... |
InsertBetweenAtomsAction | eeecd0f1-d9ed-4331-bd8f-bc1fbb35af09 | mp-754713 | Insert a Li atom in the line between atoms at indices 29 and 0, and the inserted atom must be 2.45 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Al8Cr4O20
_chemical_formula_sum "Al8 Cr4 O20"
_cell_length_a 5.05828776
_cell_length_b 7.185476969999999
_cell_length_c 10.24938235
_cell_angle_alpha 74.62419369000001
_cell_angle_beta 82.79878355
_cell_angle_gamma 110.2480265400000... | data_image0
_chemical_formula_structural Al8Cr4O20Li
_chemical_formula_sum "Al8 Cr4 O20 Li1"
_cell_length_a 5.05828776
_cell_length_b 7.185476969999999
_cell_length_c 10.24938235
_cell_angle_alpha 74.62419369000001
_cell_angle_beta 82.79878355
_cell_angle_gamma 110.2480265... |
InsertBetweenAtomsAction | d2c0a8d9-2312-46d8-b724-2ff6eafd1f2b | mp-1102140 | Insert a Og atom in the line between atoms at indices 6 and 8, and the inserted atom must be 2.85 angstrom from atom at 6 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 Nd4Si4Ir4Og
_chemical_formula_sum "Nd4 Si4 Ir4 Og1"
_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... |
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