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 | 69aae8ec-7070-4595-bce2-b3f1c810f589 | mp-753829 | Insert a Zn atom in the line between atoms at indices 2 and 1, and the inserted atom must be 2.74 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Cr4O6
_chemical_formula_sum "Cr4 O6"
_cell_length_a 5.05742377
_cell_length_b 5.52757376
_cell_length_c 5.05742872
_cell_angle_alpha 117.22418826999998
_cell_angle_beta 60.000020160000005
_cell_angle_gamma 117.22412718999999
_space... | data_image0
_chemical_formula_structural Cr4O6Zn
_chemical_formula_sum "Cr4 O6 Zn1"
_cell_length_a 5.05742377
_cell_length_b 5.52757376
_cell_length_c 5.05742872
_cell_angle_alpha 117.22418826999998
_cell_angle_beta 60.000020160000005
_cell_angle_gamma 117.22412718999999
... |
InsertBetweenAtomsAction | b6fe9cbb-acc5-4d55-a174-f692e2358268 | mp-1182237 | Insert a Nd atom in the line between atoms at indices 2 and 6, and the inserted atom must be 0.94 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ba2Cl2O6
_chemical_formula_sum "Ba2 Cl2 O6"
_cell_length_a 4.080162
_cell_length_b 4.089748
_cell_length_c 12.11870887
_cell_angle_alpha 89.76972807
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ba2Cl2O6Nd
_chemical_formula_sum "Ba2 Cl2 O6 Nd1"
_cell_length_a 4.080162
_cell_length_b 4.089748
_cell_length_c 12.11870887
_cell_angle_alpha 89.76972807
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 9231a749-dbfd-4cc4-85e6-68141b6098cd | mp-1178874 | Insert a W atom in the line between atoms at indices 21 and 9, and the inserted atom must be 2.38 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural V6H6O18
_chemical_formula_sum "V6 H6 O18"
_cell_length_a 5.0456714
_cell_length_b 8.772322
_cell_length_c 7.99829471
_cell_angle_alpha 90.0
_cell_angle_beta 105.06244997
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural V6H6O18W
_chemical_formula_sum "V6 H6 O18 W1"
_cell_length_a 5.0456714
_cell_length_b 8.772322
_cell_length_c 7.99829471
_cell_angle_alpha 90.0
_cell_angle_beta 105.06244997
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 4233c9de-f046-4237-a74d-b7c1634b4572 | mp-1191760 | Insert a Tc atom in the line between atoms at indices 14 and 11, and the inserted atom must be 0.63 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Na5V2P3O15
_chemical_formula_sum "Na5 V2 P3 O15"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
_space_gro... | data_image0
_chemical_formula_structural Na5V2P3O15Tc
_chemical_formula_sum "Na5 V2 P3 O15 Tc1"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
_spa... |
InsertBetweenAtomsAction | 4358f3b4-4da7-4a4e-9beb-9a36468b5ec6 | mp-771159 | Insert a Fe atom in the line between atoms at indices 0 and 12, and the inserted atom must be 0.32 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li4V6W2O16
_chemical_formula_sum "Li4 V6 W2 O16"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma 90.066... | data_image0
_chemical_formula_structural Li4V6W2O16Fe
_chemical_formula_sum "Li4 V6 W2 O16 Fe1"
_cell_length_a 6.11881642
_cell_length_b 10.558866989999999
_cell_length_c 6.036078419999999
_cell_angle_alpha 105.36620891
_cell_angle_beta 59.61827603999999
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 55a7c31b-37b6-4c75-b2be-d3f8616107c9 | mp-531238 | Insert a No atom in the line between atoms at indices 14 and 27, and the inserted atom must be 6.37 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Cd12Ga24O48
_chemical_formula_sum "Cd12 Ga24 O48"
_cell_length_a 6.17552206
_cell_length_b 6.17552206
_cell_length_c 30.461837
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000062
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cd12Ga24O48No
_chemical_formula_sum "Cd12 Ga24 O48 No1"
_cell_length_a 6.17552206
_cell_length_b 6.17552206
_cell_length_c 30.461837
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000062
_space_group_name_H-M_... |
InsertBetweenAtomsAction | ad920d47-ffbd-43c6-aad6-c31215855778 | mp-6215 | Insert a Ts atom in the line between atoms at indices 1 and 6, and the inserted atom must be 1.60 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ag2Hg2As2S6
_chemical_formula_sum "Ag2 Hg2 As2 S6"
_cell_length_a 6.59009171
_cell_length_b 6.59009171
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
_space_group... | data_image0
_chemical_formula_structural Ag2Hg2As2S6Ts
_chemical_formula_sum "Ag2 Hg2 As2 S6 Ts1"
_cell_length_a 6.59009171
_cell_length_b 6.59009171
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
_space... |
InsertBetweenAtomsAction | 326292ba-46eb-4d64-9008-ac012551cd95 | mp-676077 | Insert a Bh atom in the line between atoms at indices 2 and 7, and the inserted atom must be 0.35 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ce3Nd2O9
_chemical_formula_sum "Ce3 Nd2 O9"
_cell_length_a 14.21633461
_cell_length_b 14.21633461
_cell_length_c 14.21633461
_cell_angle_alpha 164.23017156999998
_cell_angle_beta 164.23017157000004
_cell_angle_gamma 22.3734551900000... | data_image0
_chemical_formula_structural Ce3Nd2O9Bh
_chemical_formula_sum "Ce3 Nd2 O9 Bh1"
_cell_length_a 14.21633461
_cell_length_b 14.21633461
_cell_length_c 14.21633461
_cell_angle_alpha 164.23017156999998
_cell_angle_beta 164.23017157000004
_cell_angle_gamma 22.3734551... |
InsertBetweenAtomsAction | 3bda5047-8151-4cee-82f7-642570c845e7 | mp-1026730 | Insert a Yb atom in the line between atoms at indices 5 and 15, and the inserted atom must be 3.49 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural LaMg14Bi
_chemical_formula_sum "La1 Mg14 Bi1"
_cell_length_a 6.54117246
_cell_length_b 6.5411719
_cell_length_c 10.75398076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LaMg14BiYb
_chemical_formula_sum "La1 Mg14 Bi1 Yb1"
_cell_length_a 6.54117246
_cell_length_b 6.5411719
_cell_length_c 10.75398076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 7472b42a-5cef-42c9-8a0e-0e4a97934747 | mp-1192912 | Insert a O atom in the line between atoms at indices 16 and 27, and the inserted atom must be 2.06 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural La12Ru4Br12
_chemical_formula_sum "La12 Ru4 Br12"
_cell_length_a 10.57664528
_cell_length_b 10.576645279999997
_cell_length_c 10.57664528
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural La12Ru4Br12O
_chemical_formula_sum "La12 Ru4 Br12 O1"
_cell_length_a 10.57664528
_cell_length_b 10.576645279999997
_cell_length_c 10.57664528
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.4712206... |
InsertBetweenAtomsAction | 70add9d1-6d06-4c3f-9f0d-97033b71069d | mp-774335 | Insert a No atom in the line between atoms at indices 76 and 73, and the inserted atom must be 2.39 angstrom from atom at 76 in the cif file. | data_image0
_chemical_formula_structural Sn16P16O56
_chemical_formula_sum "Sn16 P16 O56"
_cell_length_a 7.031273
_cell_length_b 7.031273
_cell_length_c 25.553671
_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 Sn16P16O56No
_chemical_formula_sum "Sn16 P16 O56 No1"
_cell_length_a 7.031273
_cell_length_b 7.031273
_cell_length_c 25.553671
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | cbcd3c13-26a0-4581-9913-6bf75890c4b8 | mp-1026412 | Insert a Rf atom in the line between atoms at indices 8 and 2, and the inserted atom must be 1.36 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaMg14SnRf
_chemical_formula_sum "Ba1 Mg14 Sn1 Rf1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_... |
InsertBetweenAtomsAction | f2c7261a-25da-49f3-849b-0c264a25d4eb | mp-637030 | Insert a Na atom in the line between atoms at indices 9 and 2, and the inserted atom must be 1.92 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Gd2Al6Si4Pt
_chemical_formula_sum "Gd2 Al6 Si4 Pt1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13.91258... | data_image0
_chemical_formula_structural Gd2Al6Si4PtNa
_chemical_formula_sum "Gd2 Al6 Si4 Pt1 Na1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13... |
InsertBetweenAtomsAction | 0b806edb-80cb-47d8-b103-6ee7e48a1aed | mp-699405 | Insert a Nh atom in the line between atoms at indices 56 and 16, and the inserted atom must be 5.86 angstrom from atom at 56 in the cif file. | data_image0
_chemical_formula_structural Ca6Mg5Al2Si11O36
_chemical_formula_sum "Ca6 Mg5 Al2 Si11 O36"
_cell_length_a 6.650531
_cell_length_b 6.654762510000001
_cell_length_c 15.97132531
_cell_angle_alpha 78.01366495
_cell_angle_beta 78.21072673
_cell_angle_gamma 84.428660... | data_image0
_chemical_formula_structural Ca6Mg5Al2Si11O36Nh
_chemical_formula_sum "Ca6 Mg5 Al2 Si11 O36 Nh1"
_cell_length_a 6.650531
_cell_length_b 6.654762510000001
_cell_length_c 15.97132531
_cell_angle_alpha 78.01366495
_cell_angle_beta 78.21072673
_cell_angle_gamma 84.... |
InsertBetweenAtomsAction | ce4593fb-a0a3-4e99-819d-f2ef8e14bc72 | mp-25954 | Insert a Fm atom in the line between atoms at indices 17 and 14, and the inserted atom must be 6.01 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Co6P6O24Fm
_chemical_formula_sum "Co6 P6 O24 Fm1"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 7967b00c-7939-4b24-afeb-910bcd571b33 | mp-772524 | Insert a B atom in the line between atoms at indices 14 and 32, and the inserted atom must be 5.60 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Li2Ti4P6O24
_chemical_formula_sum "Li2 Ti4 P6 O24"
_cell_length_a 8.330953
_cell_length_b 8.38168201
_cell_length_c 8.999558419999998
_cell_angle_alpha 90.22714122
_cell_angle_beta 117.54130975000001
_cell_angle_gamma 119.4789713700... | data_image0
_chemical_formula_structural Li2Ti4P6O24B
_chemical_formula_sum "Li2 Ti4 P6 O24 B1"
_cell_length_a 8.330953
_cell_length_b 8.38168201
_cell_length_c 8.999558419999998
_cell_angle_alpha 90.22714122
_cell_angle_beta 117.54130975000001
_cell_angle_gamma 119.478971... |
InsertBetweenAtomsAction | 02ac8098-bde2-441e-b392-b5e6adc0a153 | mp-2218579 | Insert a Mc atom in the line between atoms at indices 3 and 11, and the inserted atom must be 1.16 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Na2MgCu4O6
_chemical_formula_sum "Na2 Mg1 Cu4 O6"
_cell_length_a 4.27997979
_cell_length_b 9.66600533
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2MgCu4O6Mc
_chemical_formula_sum "Na2 Mg1 Cu4 O6 Mc1"
_cell_length_a 4.27997979
_cell_length_b 9.66600533
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 2736c5cc-7017-4b20-bfce-aec4468be935 | mp-1218673 | Insert a Th atom in the line between atoms at indices 20 and 40, and the inserted atom must be 4.13 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Sr4Zn51
_chemical_formula_sum "Sr4 Zn51"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 33.9046... | data_image0
_chemical_formula_structural Sr4Zn51Th
_chemical_formula_sum "Sr4 Zn51 Th1"
_cell_length_a 14.96096755
_cell_length_b 14.960967550000001
_cell_length_c 14.960967560000002
_cell_angle_alpha 33.90467868000001
_cell_angle_beta 33.90467868000001
_cell_angle_gamma 3... |
InsertBetweenAtomsAction | 7663c17d-2b58-4875-b938-99367e76b37e | mp-557900 | Insert a N atom in the line between atoms at indices 18 and 5, and the inserted atom must be 0.61 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Sb4C4S4Cl8F36N
_chemical_formula_sum "Sb4 C4 S4 Cl8 F36 N1"
_cell_length_a 9.807782
_cell_length_b 8.027716
_cell_length_c 12.749867329999999
_cell_angle_alpha 79.61769552
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | bf5c12f3-1355-4e93-9233-8553cea6c785 | mp-510041 | Insert a Y atom in the line between atoms at indices 1 and 3, and the inserted atom must be 0.61 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Hf8Ni8Sn4
_chemical_formula_sum "Hf8 Ni8 Sn4"
_cell_length_a 7.068831
_cell_length_b 7.068831
_cell_length_c 6.786952
_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 Hf8Ni8Sn4Y
_chemical_formula_sum "Hf8 Ni8 Sn4 Y1"
_cell_length_a 7.068831
_cell_length_b 7.068831
_cell_length_c 6.786952
_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 | 8387d952-4bff-4550-a1b4-ef2eafb35c29 | mp-1043418 | Insert a Ds atom in the line between atoms at indices 14 and 8, and the inserted atom must be 5.14 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Co8O12
_chemical_formula_sum "Co8 O12"
_cell_length_a 5.15061024
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Co8O12Ds
_chemical_formula_sum "Co8 O12 Ds1"
_cell_length_a 5.15061024
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 508c21b8-70ca-491f-92c8-6e1825fd7fa3 | mp-2217675 | Insert a La atom in the line between atoms at indices 0 and 1, and the inserted atom must be 2.71 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural MgMn2Al2O6
_chemical_formula_sum "Mg1 Mn2 Al2 O6"
_cell_length_a 4.99243128
_cell_length_b 5.73153045
_cell_length_c 5.54050531
_cell_angle_alpha 69.57045259
_cell_angle_beta 115.15394843
_cell_angle_gamma 112.72876431000002
_space... | data_image0
_chemical_formula_structural MgMn2Al2O6La
_chemical_formula_sum "Mg1 Mn2 Al2 O6 La1"
_cell_length_a 4.99243128
_cell_length_b 5.73153045
_cell_length_c 5.54050531
_cell_angle_alpha 69.57045259
_cell_angle_beta 115.15394843
_cell_angle_gamma 112.72876431000002
... |
InsertBetweenAtomsAction | 1ed6ae8f-8c29-4a11-a60f-61042c017b07 | mp-1190964 | Insert a Rn atom in the line between atoms at indices 18 and 4, and the inserted atom must be 1.76 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Te5Pd20
_chemical_formula_sum "Te5 Pd20"
_cell_length_a 8.84438838
_cell_length_b 8.84438838
_cell_length_c 8.84438838
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Te5Pd20Rn
_chemical_formula_sum "Te5 Pd20 Rn1"
_cell_length_a 8.84438838
_cell_length_b 8.84438838
_cell_length_c 8.84438838
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
InsertBetweenAtomsAction | 069b5b59-57c2-4943-a695-a745e66de191 | mp-754936 | Insert a Rf atom in the line between atoms at indices 0 and 8, and the inserted atom must be 3.80 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Dy2Al2O6
_chemical_formula_sum "Dy2 Al2 O6"
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_space_group_name_H-... | data_image0
_chemical_formula_structural Dy2Al2O6Rf
_chemical_formula_sum "Dy2 Al2 O6 Rf1"
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_space_group_n... |
InsertBetweenAtomsAction | 8d123e94-80f2-442d-ac66-ff57921fffdf | mp-531064 | Insert a Mg atom in the line between atoms at indices 3 and 86, and the inserted atom must be 2.77 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural K8Mo24Br56
_chemical_formula_sum "K8 Mo24 Br56"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_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 K8Mo24Br56Mg
_chemical_formula_sum "K8 Mo24 Br56 Mg1"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 08d5970b-36c0-4715-a4d2-ace7e2adfde0 | mp-542012 | Insert a Ag atom in the line between atoms at indices 34 and 11, and the inserted atom must be 1.32 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Rb8Hf6S28
_chemical_formula_sum "Rb8 Hf6 S28"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... | data_image0
_chemical_formula_structural Rb8Hf6S28Ag
_chemical_formula_sum "Rb8 Hf6 S28 Ag1"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma... |
InsertBetweenAtomsAction | 6bfb3a0b-6e8e-4ae0-ad20-36e7eae43484 | mp-1224058 | Insert a Lv atom in the line between atoms at indices 0 and 16, and the inserted atom must be 2.46 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ho6S2O2F10
_chemical_formula_sum "Ho6 S2 O2 F10"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho6S2O2F10Lv
_chemical_formula_sum "Ho6 S2 O2 F10 Lv1"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | dcf184f7-6dc6-4bda-a649-895486e6cff6 | mp-686618 | Insert a Fr atom in the line between atoms at indices 22 and 60, and the inserted atom must be 1.17 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural YAl6Si30N45O3
_chemical_formula_sum "Y1 Al6 Si30 N45 O3"
_cell_length_a 7.867781
_cell_length_b 7.88304542
_cell_length_c 17.12646181
_cell_angle_alpha 90.28235966
_cell_angle_beta 89.9019146
_cell_angle_gamma 119.55043271
_space_g... | data_image0
_chemical_formula_structural YAl6Si30N45O3Fr
_chemical_formula_sum "Y1 Al6 Si30 N45 O3 Fr1"
_cell_length_a 7.867781
_cell_length_b 7.88304542
_cell_length_c 17.12646181
_cell_angle_alpha 90.28235966
_cell_angle_beta 89.9019146
_cell_angle_gamma 119.55043271
_s... |
InsertBetweenAtomsAction | f61ab12d-1eb7-4a9d-bb2d-8e04d70ef89c | mp-1347506 | Insert a No atom in the line between atoms at indices 17 and 13, and the inserted atom must be 0.96 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12
_chemical_formula_sum "Mg4 Cu2 Ir2 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12No
_chemical_formula_sum "Mg4 Cu2 Ir2 O12 No1"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 8f7c8603-7c7e-4277-83c3-201d65e396fe | mp-1523289 | Insert a Hg atom in the line between atoms at indices 9 and 11, and the inserted atom must be 0.66 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... | data_image0
_chemical_formula_structural BaCaSn4O12Hg
_chemical_formula_sum "Ba1 Ca1 Sn4 O12 Hg1"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_g... |
InsertBetweenAtomsAction | f806f067-a7eb-40b1-8cf1-c7948e6e2f40 | mp-2647063 | Insert a Sn atom in the line between atoms at indices 15 and 12, and the inserted atom must be 1.75 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 6.02991438
_cell_length_b 10.484943
_cell_length_c 6.698872009999999
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ru4Cl12Sn
_chemical_formula_sum "Ru4 Cl12 Sn1"
_cell_length_a 6.02991438
_cell_length_b 10.484943
_cell_length_c 6.698872009999999
_cell_angle_alpha 90.0
_cell_angle_beta 106.89712289999999
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | 6624053b-b05c-4c19-b73e-6077a6b7914c | mp-1207461 | Insert a Lv atom in the line between atoms at indices 11 and 15, and the inserted atom must be 2.54 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Zr12P2I28
_chemical_formula_sum "Zr12 P2 I28"
_cell_length_a 10.9834047
_cell_length_b 10.98340538
_cell_length_c 13.261243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 95.13368863
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zr12P2I28Lv
_chemical_formula_sum "Zr12 P2 I28 Lv1"
_cell_length_a 10.9834047
_cell_length_b 10.98340538
_cell_length_c 13.261243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 95.13368863
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 2ffbdaea-fa5c-47be-9d3e-0c254d356563 | mp-1210254 | Insert a Os atom in the line between atoms at indices 27 and 25, and the inserted atom must be 3.49 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Ni4O16F8
_chemical_formula_sum "Ni4 O16 F8"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_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 Ni4O16F8Os
_chemical_formula_sum "Ni4 O16 F8 Os1"
_cell_length_a 5.372365
_cell_length_b 6.329703
_cell_length_c 11.432453
_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 | 92e2de5b-51d5-412b-8230-e533ed39f3ef | mp-30464 | Insert a Kr atom in the line between atoms at indices 13 and 12, and the inserted atom must be 0.59 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Bi4Pd10
_chemical_formula_sum "Bi4 Pd10"
_cell_length_a 5.86907876
_cell_length_b 6.80214419
_cell_length_c 7.72867934
_cell_angle_alpha 115.12698734
_cell_angle_beta 112.27544877999999
_cell_angle_gamma 89.99573514
_space_group_na... | data_image0
_chemical_formula_structural Bi4Pd10Kr
_chemical_formula_sum "Bi4 Pd10 Kr1"
_cell_length_a 5.86907876
_cell_length_b 6.80214419
_cell_length_c 7.72867934
_cell_angle_alpha 115.12698734
_cell_angle_beta 112.27544877999999
_cell_angle_gamma 89.99573514
_space_gr... |
InsertBetweenAtomsAction | f79d5b0c-514e-4302-825b-710de0f367a8 | mp-1205615 | Insert a Gd atom in the line between atoms at indices 6 and 2, and the inserted atom must be 5.73 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural La4Co4I2
_chemical_formula_sum "La4 Co4 I2"
_cell_length_a 4.03631804
_cell_length_b 4.03631804
_cell_length_c 17.93186934
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La4Co4I2Gd
_chemical_formula_sum "La4 Co4 I2 Gd1"
_cell_length_a 4.03631804
_cell_length_b 4.03631804
_cell_length_c 17.93186934
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604999998
_space_group_name_H-... |
InsertBetweenAtomsAction | feeb7340-0886-493f-8b8e-3bc2b37cd125 | mp-1048316 | Insert a Sg atom in the line between atoms at indices 5 and 4, and the inserted atom must be 2.78 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ba2YCo3O7
_chemical_formula_sum "Ba2 Y1 Co3 O7"
_cell_length_a 3.899804
_cell_length_b 3.990514
_cell_length_c 11.59648
_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 Ba2YCo3O7Sg
_chemical_formula_sum "Ba2 Y1 Co3 O7 Sg1"
_cell_length_a 3.899804
_cell_length_b 3.990514
_cell_length_c 11.59648
_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 | 4602abc6-a987-45eb-98c3-cc5b10e60264 | mp-1247511 | Insert a Cr atom in the line between atoms at indices 9 and 10, and the inserted atom must be 5.24 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Na12W4N8
_chemical_formula_sum "Na12 W4 N8"
_cell_length_a 13.21816615
_cell_length_b 6.467537
_cell_length_c 24.80366161
_cell_angle_alpha 89.99999754
_cell_angle_beta 159.75828686000003
_cell_angle_gamma 104.1609021
_space_group_... | data_image0
_chemical_formula_structural Na12W4N8Cr
_chemical_formula_sum "Na12 W4 N8 Cr1"
_cell_length_a 13.21816615
_cell_length_b 6.467537
_cell_length_c 24.80366161
_cell_angle_alpha 89.99999754
_cell_angle_beta 159.75828686000003
_cell_angle_gamma 104.1609021
_space_... |
InsertBetweenAtomsAction | 8eaa4669-8a96-4225-a397-4d0c2586efa9 | mp-1235910 | Insert a Os atom in the line between atoms at indices 18 and 12, and the inserted atom must be 6.22 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural LiMn6O4F8
_chemical_formula_sum "Li1 Mn6 O4 F8"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.24166634000001... | data_image0
_chemical_formula_structural LiMn6O4F8Os
_chemical_formula_sum "Li1 Mn6 O4 F8 Os1"
_cell_length_a 4.96618462
_cell_length_b 7.95394579
_cell_length_c 5.84797195
_cell_angle_alpha 92.73156028999999
_cell_angle_beta 91.94688431999998
_cell_angle_gamma 88.24166634... |
InsertBetweenAtomsAction | 21b38c7a-3eed-4ab8-bdf3-58192fdc8de5 | mp-532413 | Insert a Kr atom in the line between atoms at indices 12 and 21, and the inserted atom must be 3.93 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li20B28S52
_chemical_formula_sum "Li20 B28 S52"
_cell_length_a 14.00007587
_cell_length_b 14.00007587
_cell_length_c 12.32493186
_cell_angle_alpha 63.92220882000001
_cell_angle_beta 63.92220882000001
_cell_angle_gamma 103.0203757
_... | data_image0
_chemical_formula_structural Li20B28S52Kr
_chemical_formula_sum "Li20 B28 S52 Kr1"
_cell_length_a 14.00007587
_cell_length_b 14.00007587
_cell_length_c 12.32493186
_cell_angle_alpha 63.92220882000001
_cell_angle_beta 63.92220882000001
_cell_angle_gamma 103.0203... |
InsertBetweenAtomsAction | 7ad80377-a956-47dd-be24-702d7cadd956 | mp-769628 | Insert a At atom in the line between atoms at indices 27 and 10, and the inserted atom must be 3.87 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li8V6Cr2O16
_chemical_formula_sum "Li8 V6 Cr2 O16"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma 73.14... | data_image0
_chemical_formula_structural Li8V6Cr2O16At
_chemical_formula_sum "Li8 V6 Cr2 O16 At1"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 33c87277-08ef-4c3d-aa99-6679c4c4c8ea | mp-1041645 | Insert a C atom in the line between atoms at indices 9 and 19, and the inserted atom must be 5.70 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Al2Sb2W4O16
_chemical_formula_sum "Al2 Sb2 W4 O16"
_cell_length_a 5.627521
_cell_length_b 5.198103
_cell_length_c 10.68662032
_cell_angle_alpha 60.811312539999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Al2Sb2W4O16C
_chemical_formula_sum "Al2 Sb2 W4 O16 C1"
_cell_length_a 5.627521
_cell_length_b 5.198103
_cell_length_c 10.68662032
_cell_angle_alpha 60.811312539999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | a583112d-33b6-4e35-88b8-b3f554c9d60e | mp-1032153 | Insert a F atom in the line between atoms at indices 14 and 4, and the inserted atom must be 1.39 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Mg6CoCuO8
_chemical_formula_sum "Mg6 Co1 Cu1 O8"
_cell_length_a 8.61077705
_cell_length_b 4.20526714
_cell_length_c 4.20526714
_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 Mg6CoCuO8F
_chemical_formula_sum "Mg6 Co1 Cu1 O8 F1"
_cell_length_a 8.61077705
_cell_length_b 4.20526714
_cell_length_c 4.20526714
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | b3e1efa5-72a7-406d-a77a-70f12c070952 | mp-1235662 | Insert a Fr atom in the line between atoms at indices 7 and 0, and the inserted atom must be 2.86 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural LiY2Fe4O8
_chemical_formula_sum "Li1 Y2 Fe4 O8"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_group_nam... | data_image0
_chemical_formula_structural LiY2Fe4O8Fr
_chemical_formula_sum "Li1 Y2 Fe4 O8 Fr1"
_cell_length_a 6.61056329
_cell_length_b 6.12583557
_cell_length_c 6.60887279
_cell_angle_alpha 62.55811515
_cell_angle_beta 57.31319605
_cell_angle_gamma 62.44010105
_space_gro... |
InsertBetweenAtomsAction | 97244b68-87e0-4aec-9596-b657b9a7e5cf | mp-1215797 | Insert a Ra atom in the line between atoms at indices 17 and 10, and the inserted atom must be 0.52 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Zn2Cu10Sb4S13
_chemical_formula_sum "Zn2 Cu10 Sb4 S13"
_cell_length_a 9.03952655
_cell_length_b 9.03952655
_cell_length_c 9.03952655
_cell_angle_alpha 109.77039132999998
_cell_angle_beta 109.77039133
_cell_angle_gamma 108.8745219899... | data_image0
_chemical_formula_structural Zn2Cu10Sb4S13Ra
_chemical_formula_sum "Zn2 Cu10 Sb4 S13 Ra1"
_cell_length_a 9.03952655
_cell_length_b 9.03952655
_cell_length_c 9.03952655
_cell_angle_alpha 109.77039132999998
_cell_angle_beta 109.77039133
_cell_angle_gamma 108.8745... |
InsertBetweenAtomsAction | 821714ef-a5ad-452c-80e9-16e58179f429 | mp-1193732 | Insert a Sg atom in the line between atoms at indices 0 and 5, and the inserted atom must be 4.16 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12
_chemical_formula_sum "Te4 Pd2 Pb4 Cl4 O12"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te4Pd2Pb4Cl4O12Sg
_chemical_formula_sum "Te4 Pd2 Pb4 Cl4 O12 Sg1"
_cell_length_a 5.554361
_cell_length_b 8.317594
_cell_length_c 13.30471562
_cell_angle_alpha 56.04954906
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | 59467ef9-1fc9-41f5-b581-e3514ecb9d69 | mp-7593 | Insert a Cm atom in the line between atoms at indices 3 and 8, and the inserted atom must be 1.54 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Rb4Li4F8
_chemical_formula_sum "Rb4 Li4 F8"
_cell_length_a 6.24092878
_cell_length_b 6.24092878
_cell_length_c 7.78676897
_cell_angle_alpha 87.14777964999999
_cell_angle_beta 87.14777964999999
_cell_angle_gamma 124.97890619999998
_... | data_image0
_chemical_formula_structural Rb4Li4F8Cm
_chemical_formula_sum "Rb4 Li4 F8 Cm1"
_cell_length_a 6.24092878
_cell_length_b 6.24092878
_cell_length_c 7.78676897
_cell_angle_alpha 87.14777964999999
_cell_angle_beta 87.14777964999999
_cell_angle_gamma 124.97890619999... |
InsertBetweenAtomsAction | 83879e38-97df-486f-b7b9-a0441e487f8c | mp-26088 | Insert a Fr atom in the line between atoms at indices 58 and 43, and the inserted atom must be 2.56 angstrom from atom at 58 in the cif file. | data_image0
_chemical_formula_structural Li4Co8P12O48
_chemical_formula_sum "Li4 Co8 P12 O48"
_cell_length_a 8.675564
_cell_length_b 8.589091
_cell_length_c 12.099115949999998
_cell_angle_alpha 89.42846360999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Li4Co8P12O48Fr
_chemical_formula_sum "Li4 Co8 P12 O48 Fr1"
_cell_length_a 8.675564
_cell_length_b 8.589091
_cell_length_c 12.099115949999998
_cell_angle_alpha 89.42846360999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
InsertBetweenAtomsAction | e48dea54-c321-4184-96f4-c102428bdb46 | mp-978968 | Insert a Cs atom in the line between atoms at indices 7 and 1, and the inserted atom must be 1.20 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... | data_image0
_chemical_formula_structural Ti6O4Cs
_chemical_formula_sum "Ti6 O4 Cs1"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space... |
InsertBetweenAtomsAction | 821cc504-5a49-402d-aa72-21eef9b85649 | mp-1181318 | Insert a Li atom in the line between atoms at indices 6 and 11, and the inserted atom must be 1.14 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ga2P2N2O10
_chemical_formula_sum "Ga2 P2 N2 O10"
_cell_length_a 6.418705
_cell_length_b 4.608994
_cell_length_c 8.139439520000002
_cell_angle_alpha 83.58272771999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ga2P2N2O10Li
_chemical_formula_sum "Ga2 P2 N2 O10 Li1"
_cell_length_a 6.418705
_cell_length_b 4.608994
_cell_length_c 8.139439520000002
_cell_angle_alpha 83.58272771999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | 22223919-d309-45b8-b3b6-20db82c520e7 | mp-557662 | Insert a K atom in the line between atoms at indices 17 and 18, and the inserted atom must be 4.35 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Ca2Mg5Si8O22F2
_chemical_formula_sum "Ca2 Mg5 Si8 O22 F2"
_cell_length_a 10.37304326
_cell_length_b 10.373043260000001
_cell_length_c 5.32796317
_cell_angle_alpha 83.13018931
_cell_angle_beta 83.13018931
_cell_angle_gamma 122.768936... | data_image0
_chemical_formula_structural Ca2Mg5Si8O22F2K
_chemical_formula_sum "Ca2 Mg5 Si8 O22 F2 K1"
_cell_length_a 10.37304326
_cell_length_b 10.373043260000001
_cell_length_c 5.32796317
_cell_angle_alpha 83.13018931
_cell_angle_beta 83.13018931
_cell_angle_gamma 122.76... |
InsertBetweenAtomsAction | 3fe9096e-da91-4ed2-803f-2a5b6a8003c3 | mp-1045681 | Insert a Nh atom in the line between atoms at indices 66 and 27, and the inserted atom must be 1.68 angstrom from atom at 66 in the cif file. | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830633739... | data_image0
_chemical_formula_structural Mg8Sb8As16Se8O56Nh
_chemical_formula_sum "Mg8 Sb8 As16 Se8 O56 Nh1"
_cell_length_a 10.63966254
_cell_length_b 13.52879227
_cell_length_c 13.52471817
_cell_angle_alpha 81.13835569
_cell_angle_beta 66.83762353
_cell_angle_gamma 66.830... |
InsertBetweenAtomsAction | 9c0254d5-47c0-42d2-bf65-26b6e3ff14c2 | mp-778762 | Insert a Ba atom in the line between atoms at indices 0 and 57, and the inserted atom must be 3.03 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li6Mn12B12O36
_chemical_formula_sum "Li6 Mn12 B12 O36"
_cell_length_a 5.25285507
_cell_length_b 13.93360167
_cell_length_c 11.595015219999999
_cell_angle_alpha 66.23360605
_cell_angle_beta 77.71884092000002
_cell_angle_gamma 90.8892... | data_image0
_chemical_formula_structural Li6Mn12B12O36Ba
_chemical_formula_sum "Li6 Mn12 B12 O36 Ba1"
_cell_length_a 5.25285507
_cell_length_b 13.93360167
_cell_length_c 11.595015219999999
_cell_angle_alpha 66.23360605
_cell_angle_beta 77.71884092000002
_cell_angle_gamma 9... |
InsertBetweenAtomsAction | ba2db685-0894-47cc-bb94-c02fb7b86f3e | mp-1444506 | Insert a Li atom in the line between atoms at indices 4 and 9, and the inserted atom must be 2.13 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li3Mn2Co2O8
_chemical_formula_sum "Li3 Mn2 Co2 O8"
_cell_length_a 5.794801
_cell_length_b 5.809732470000001
_cell_length_c 5.85429586
_cell_angle_alpha 119.54427468
_cell_angle_beta 90.964218
_cell_angle_gamma 118.07145026
_space_g... | data_image0
_chemical_formula_structural Li3Mn2Co2O8Li
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 5.794801
_cell_length_b 5.809732470000001
_cell_length_c 5.85429586
_cell_angle_alpha 119.54427468
_cell_angle_beta 90.964218
_cell_angle_gamma 118.07145026
_space... |
InsertBetweenAtomsAction | 19ca0f63-cc7d-43bd-b4d4-689bdf1a580b | mp-556361 | Insert a Ag atom in the line between atoms at indices 24 and 27, and the inserted atom must be 5.46 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Sr4V8Zn4O28
_chemical_formula_sum "Sr4 V8 Zn4 O28"
_cell_length_a 6.772833
_cell_length_b 7.597328
_cell_length_c 13.62432438
_cell_angle_alpha 62.3745401
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Sr4V8Zn4O28Ag
_chemical_formula_sum "Sr4 V8 Zn4 O28 Ag1"
_cell_length_a 6.772833
_cell_length_b 7.597328
_cell_length_c 13.62432438
_cell_angle_alpha 62.3745401
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | b90c48d7-6e7d-4a5b-92fa-94430cb735f1 | mp-1175713 | Insert a Li atom in the line between atoms at indices 12 and 1, and the inserted atom must be 0.71 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.828364
_cell_length_b 6.61889684
_cell_length_c 7.80486759
_cell_angle_alpha 86.24410053000001
_cell_angle_beta 79.4213138
_cell_angle_gamma 77.28227324
_space_g... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li
_chemical_formula_sum "Li10 Mn2 Co5 O16"
_cell_length_a 5.828364
_cell_length_b 6.61889684
_cell_length_c 7.80486759
_cell_angle_alpha 86.24410053000001
_cell_angle_beta 79.4213138
_cell_angle_gamma 77.28227324
_spac... |
InsertBetweenAtomsAction | 1b368eec-f167-4d78-b75c-96e0e2bc9658 | mp-1028157 | Insert a Xe atom in the line between atoms at indices 4 and 11, and the inserted atom must be 6.83 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg14MnCuXe
_chemical_formula_sum "Mg14 Mn1 Cu1 Xe1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 6cac0bc7-216f-4d73-a359-2b99c82008d9 | mp-1190549 | Insert a Ba atom in the line between atoms at indices 22 and 12, and the inserted atom must be 0.65 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Ge8O16
_chemical_formula_sum "Ge8 O16"
_cell_length_a 7.54141785
_cell_length_b 7.54141785
_cell_length_c 7.35979191
_cell_angle_alpha 76.83898799
_cell_angle_beta 76.83898799
_cell_angle_gamma 121.50693674999998
_space_group_name_... | data_image0
_chemical_formula_structural Ge8O16Ba
_chemical_formula_sum "Ge8 O16 Ba1"
_cell_length_a 7.54141785
_cell_length_b 7.54141785
_cell_length_c 7.35979191
_cell_angle_alpha 76.83898799
_cell_angle_beta 76.83898799
_cell_angle_gamma 121.50693674999998
_space_group... |
InsertBetweenAtomsAction | 6b9ac091-76c9-43aa-be69-292707c64923 | mp-1304002 | Insert a Cu atom in the line between atoms at indices 3 and 6, and the inserted atom must be 1.44 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2O16Cu
_chemical_formula_sum "Li8 Ni6 Bi2 O16 Cu1"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
... |
InsertBetweenAtomsAction | 4156eccf-82b7-4986-97b5-b6e8b1249da5 | mp-1239179 | Insert a Sn atom in the line between atoms at indices 19 and 20, and the inserted atom must be 3.84 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 11.43266811
_cell_length_b 3.424343
_cell_length_c 12.008144939999998
_cell_angle_alpha 90.0
_cell_angle_beta 89.45799247
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16Sn
_chemical_formula_sum "Ta2 Cr6 Cu4 S16 Sn1"
_cell_length_a 11.43266811
_cell_length_b 3.424343
_cell_length_c 12.008144939999998
_cell_angle_alpha 90.0
_cell_angle_beta 89.45799247
_cell_angle_gamma 90.0
_space_group... |
InsertBetweenAtomsAction | 4ffc2960-4f91-4192-8c13-946ff3366516 | mp-1173233 | Insert a Pa atom in the line between atoms at indices 13 and 14, and the inserted atom must be 1.79 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Sr3LaCu2Bi4O12
_chemical_formula_sum "Sr3 La1 Cu2 Bi4 O12"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma 89.7... | data_image0
_chemical_formula_structural Sr3LaCu2Bi4O12Pa
_chemical_formula_sum "Sr3 La1 Cu2 Bi4 O12 Pa1"
_cell_length_a 4.56366946
_cell_length_b 4.88141223
_cell_length_c 16.208894570000002
_cell_angle_alpha 97.10350344
_cell_angle_beta 89.48129333000001
_cell_angle_gamma ... |
InsertBetweenAtomsAction | fc34bd0c-66b7-4ab1-ac82-eec55d39fee0 | mp-1195660 | Insert a Ts atom in the line between atoms at indices 90 and 17, and the inserted atom must be 6.36 angstrom from atom at 90 in the cif file. | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48Ts
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48 Ts1"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1... |
InsertBetweenAtomsAction | b1bb4bf7-c9ab-452a-b35f-9a7c8ddfab63 | mp-1100732 | Insert a B atom in the line between atoms at indices 17 and 27, and the inserted atom must be 8.40 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li9Mn2Co5O16B
_chemical_formula_sum "Li9 Mn2 Co5 O16 B1"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | 40cd0455-fc53-4f44-a017-c9fd70978fef | mp-1189263 | Insert a Cf atom in the line between atoms at indices 12 and 1, and the inserted atom must be 1.05 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Pd2N4O12
_chemical_formula_sum "Pd2 N4 O12"
_cell_length_a 4.909907
_cell_length_b 6.199307
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Pd2N4O12Cf
_chemical_formula_sum "Pd2 N4 O12 Cf1"
_cell_length_a 4.909907
_cell_length_b 6.199307
_cell_length_c 8.2597514
_cell_angle_alpha 90.0
_cell_angle_beta 107.00392722000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | ecf6a8ea-084a-4fbe-adeb-534469b4e4b3 | mp-1113414 | Insert a Er atom in the line between atoms at indices 5 and 0, and the inserted atom must be 1.32 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Cs2InAuI6
_chemical_formula_sum "Cs2 In1 Au1 I6"
_cell_length_a 8.47478367
_cell_length_b 8.47478367
_cell_length_c 8.47478367
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Cs2InAuI6Er
_chemical_formula_sum "Cs2 In1 Au1 I6 Er1"
_cell_length_a 8.47478367
_cell_length_b 8.47478367
_cell_length_c 8.47478367
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999... |
InsertBetweenAtomsAction | 0eb7b188-9459-4c7c-853c-7efbd769ab41 | mp-567194 | Insert a Mn atom in the line between atoms at indices 21 and 67, and the inserted atom must be 2.23 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Mn8Nb36Ge32
_chemical_formula_sum "Mn8 Nb36 Ge32"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_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 Mn8Nb36Ge32Mn
_chemical_formula_sum "Mn9 Nb36 Ge32"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_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 | 75a78170-5069-4019-9848-3685e8c545c0 | mp-758705 | Insert a Co atom in the line between atoms at indices 5 and 10, and the inserted atom must be 0.79 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li4Fe8B8O24
_chemical_formula_sum "Li4 Fe8 B8 O24"
_cell_length_a 5.24061526
_cell_length_b 9.15571646
_cell_length_c 11.324805590000002
_cell_angle_alpha 66.50654905
_cell_angle_beta 77.06653165
_cell_angle_gamma 89.07226698
_spac... | data_image0
_chemical_formula_structural Li4Fe8B8O24Co
_chemical_formula_sum "Li4 Fe8 B8 O24 Co1"
_cell_length_a 5.24061526
_cell_length_b 9.15571646
_cell_length_c 11.324805590000002
_cell_angle_alpha 66.50654905
_cell_angle_beta 77.06653165
_cell_angle_gamma 89.07226698
... |
InsertBetweenAtomsAction | 6cdd61dd-3b82-4784-84dd-23f98f4e83e2 | mp-1221029 | Insert a Ar atom in the line between atoms at indices 5 and 23, and the inserted atom must be 3.54 angstrom from atom at 5 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 NaPr9Ge6O26Ar
_chemical_formula_sum "Na1 Pr9 Ge6 O26 Ar1"
_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 | 9219915b-2491-430c-814d-d6c6f40482d3 | mp-608522 | Insert a Br atom in the line between atoms at indices 45 and 0, and the inserted atom must be 3.66 angstrom from atom at 45 in the cif file. | data_image0
_chemical_formula_structural Sb4Mo20O62
_chemical_formula_sum "Sb4 Mo20 O62"
_cell_length_a 7.40808
_cell_length_b 8.194364
_cell_length_c 20.430667
_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 Sb4Mo20O62Br
_chemical_formula_sum "Sb4 Mo20 O62 Br1"
_cell_length_a 7.40808
_cell_length_b 8.194364
_cell_length_c 20.430667
_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 | 9114a0f6-5107-42cd-961b-c93bcf7b11fe | mp-607816 | Insert a Sm atom in the line between atoms at indices 10 and 0, and the inserted atom must be 1.45 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural U4Fe4Ge4
_chemical_formula_sum "U4 Fe4 Ge4"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U4Fe4Ge4Sm
_chemical_formula_sum "U4 Fe4 Ge4 Sm1"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 66084866-23f7-44cf-a36d-e9db62cb8eaf | mp-698712 | Insert a Mn atom in the line between atoms at indices 12 and 11, and the inserted atom must be 1.68 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Sr5La3Mn8O20F4
_chemical_formula_sum "Sr5 La3 Mn8 O20 F4"
_cell_length_a 5.628558
_cell_length_b 5.6895292
_cell_length_c 15.559255630000001
_cell_angle_alpha 89.88712299
_cell_angle_beta 89.93328182
_cell_angle_gamma 89.81643661
_... | data_image0
_chemical_formula_structural Sr5La3Mn8O20F4Mn
_chemical_formula_sum "Sr5 La3 Mn9 O20 F4"
_cell_length_a 5.628558
_cell_length_b 5.6895292
_cell_length_c 15.559255630000001
_cell_angle_alpha 89.88712299
_cell_angle_beta 89.93328182
_cell_angle_gamma 89.81643661
... |
InsertBetweenAtomsAction | 6988cabf-8b95-4aed-9865-63f329c4804d | mp-1044670 | Insert a Rn atom in the line between atoms at indices 3 and 9, and the inserted atom must be 0.38 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Zn2Ag4O8
_chemical_formula_sum "Zn2 Ag4 O8"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_space_g... | data_image0
_chemical_formula_structural Zn2Ag4O8Rn
_chemical_formula_sum "Zn2 Ag4 O8 Rn1"
_cell_length_a 6.30584419
_cell_length_b 6.30584419
_cell_length_c 6.30584436
_cell_angle_alpha 61.36555054000001
_cell_angle_beta 61.36555054000001
_cell_angle_gamma 61.36555237
_s... |
InsertBetweenAtomsAction | cae21ebb-7cde-4541-badf-b6c038f37206 | mp-773817 | Insert a Pd atom in the line between atoms at indices 11 and 28, and the inserted atom must be 2.69 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Sn16N16O8
_chemical_formula_sum "Sn16 N16 O8"
_cell_length_a 8.836539
_cell_length_b 8.83747851
_cell_length_c 8.8470165
_cell_angle_alpha 109.45200518
_cell_angle_beta 109.40988055999999
_cell_angle_gamma 109.39716906
_space_group... | data_image0
_chemical_formula_structural Sn16N16O8Pd
_chemical_formula_sum "Sn16 N16 O8 Pd1"
_cell_length_a 8.836539
_cell_length_b 8.83747851
_cell_length_c 8.8470165
_cell_angle_alpha 109.45200518
_cell_angle_beta 109.40988055999999
_cell_angle_gamma 109.39716906
_space... |
InsertBetweenAtomsAction | 342d5397-cfdd-47d7-af4d-b2a427862165 | mp-569606 | Insert a No atom in the line between atoms at indices 0 and 9, and the inserted atom must be 2.42 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Nd6Mn2Bi10
_chemical_formula_sum "Nd6 Mn2 Bi10"
_cell_length_a 9.67833614
_cell_length_b 9.67833614
_cell_length_c 6.511148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Nd6Mn2Bi10No
_chemical_formula_sum "Nd6 Mn2 Bi10 No1"
_cell_length_a 9.67833614
_cell_length_b 9.67833614
_cell_length_c 6.511148
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H... |
InsertBetweenAtomsAction | 5a8887fb-8628-4f0d-a743-f8be02c5a67e | mp-3536 | Insert a Rg atom in the line between atoms at indices 9 and 0, and the inserted atom must be 2.41 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Mg2Al4O8
_chemical_formula_sum "Mg2 Al4 O8"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319999999
_s... | data_image0
_chemical_formula_structural Mg2Al4O8Rg
_chemical_formula_sum "Mg2 Al4 O8 Rg1"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.000003199999... |
InsertBetweenAtomsAction | b1bdeb35-5968-4fb7-94fe-0cc13da01579 | mp-767370 | Insert a Db atom in the line between atoms at indices 27 and 11, and the inserted atom must be 5.40 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Mn6Fe8O36
_chemical_formula_sum "Li8 Ti4 Mn6 Fe8 O36"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li8Ti4Mn6Fe8O36Db
_chemical_formula_sum "Li8 Ti4 Mn6 Fe8 O36 Db1"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | c0c3580c-323a-4786-8a6b-005ad877434f | mp-554704 | Insert a Ce atom in the line between atoms at indices 10 and 14, and the inserted atom must be 2.91 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ti4P4H4O20
_chemical_formula_sum "Ti4 P4 H4 O20"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ti4P4H4O20Ce
_chemical_formula_sum "Ti4 P4 H4 O20 Ce1"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 14bf8df2-e3b6-42a3-b8da-d804ab13458f | mp-1214440 | Insert a Hf atom in the line between atoms at indices 11 and 8, and the inserted atom must be 3.66 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ba4LiB3N6
_chemical_formula_sum "Ba4 Li1 B3 N6"
_cell_length_a 6.87450619
_cell_length_b 6.87450619
_cell_length_c 6.87450619
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Ba4LiB3N6Hf
_chemical_formula_sum "Ba4 Li1 B3 N6 Hf1"
_cell_length_a 6.87450619
_cell_length_b 6.87450619
_cell_length_c 6.87450619
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_... |
InsertBetweenAtomsAction | 08af9608-5956-4174-9cef-e310f76f7def | mp-758242 | Insert a B atom in the line between atoms at indices 10 and 25, and the inserted atom must be 0.74 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li2P6W4O24
_chemical_formula_sum "Li2 P6 W4 O24"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.7976288100000... | data_image0
_chemical_formula_structural Li2P6W4O24B
_chemical_formula_sum "Li2 P6 W4 O24 B1"
_cell_length_a 8.87626289
_cell_length_b 8.87626289
_cell_length_c 8.87626306
_cell_angle_alpha 59.79763145999999
_cell_angle_beta 59.79763145999999
_cell_angle_gamma 59.797628810... |
InsertBetweenAtomsAction | 522ca731-77af-47fb-9b06-979e330df8a8 | mp-766011 | Insert a Ce atom in the line between atoms at indices 16 and 12, and the inserted atom must be 0.64 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Li3VCrP2H2O10
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 94.... | data_image0
_chemical_formula_structural Li3VCrP2H2O10Ce
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10 Ce1"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 5fdd389a-4952-4413-b0f5-46ebb1f9e217 | mp-1192939 | Insert a Sb atom in the line between atoms at indices 15 and 4, and the inserted atom must be 1.25 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Sc6Co16Si7
_chemical_formula_sum "Sc6 Co16 Si7"
_cell_length_a 8.06826091
_cell_length_b 8.06826091
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Sc6Co16Si7Sb
_chemical_formula_sum "Sc6 Co16 Si7 Sb1"
_cell_length_a 8.06826091
_cell_length_b 8.06826091
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
InsertBetweenAtomsAction | c7c21287-8072-4a18-b3b7-8edb6f5edfa6 | mp-1191000 | Insert a Bh atom in the line between atoms at indices 11 and 2, and the inserted atom must be 3.49 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Eu6Si4Ni12
_chemical_formula_sum "Eu6 Si4 Ni12"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Eu6Si4Ni12Bh
_chemical_formula_sum "Eu6 Si4 Ni12 Bh1"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_... |
InsertBetweenAtomsAction | fb708e6d-a956-42bc-879a-cab77a36ab55 | mp-767370 | Insert a Tc atom in the line between atoms at indices 35 and 26, and the inserted atom must be 5.98 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Mn6Fe8O36
_chemical_formula_sum "Li8 Ti4 Mn6 Fe8 O36"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li8Ti4Mn6Fe8O36Tc
_chemical_formula_sum "Li8 Ti4 Mn6 Fe8 O36 Tc1"
_cell_length_a 2.9352
_cell_length_b 8.997828
_cell_length_c 25.460821
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | e2a4ae23-39c4-4c1d-9489-903d3add1fc1 | mp-36100 | Insert a Rb atom in the line between atoms at indices 2 and 13, and the inserted atom must be 5.45 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ca2Sm4S8
_chemical_formula_sum "Ca2 Sm4 S8"
_cell_length_a 7.3624864
_cell_length_b 7.362486399999999
_cell_length_c 7.3624864
_cell_angle_alpha 109.59223233
_cell_angle_beta 109.59223233
_cell_angle_gamma 109.22946738
_space_group... | data_image0
_chemical_formula_structural Ca2Sm4S8Rb
_chemical_formula_sum "Ca2 Sm4 S8 Rb1"
_cell_length_a 7.3624864
_cell_length_b 7.362486399999999
_cell_length_c 7.3624864
_cell_angle_alpha 109.59223233
_cell_angle_beta 109.59223233
_cell_angle_gamma 109.22946738
_space... |
InsertBetweenAtomsAction | 42e1c44c-7634-4eae-bb8a-a457ac7f6009 | mp-24598 | Insert a Au atom in the line between atoms at indices 56 and 14, and the inserted atom must be 5.58 angstrom from atom at 56 in the cif file. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O40Au
_chemical_formula_sum "Ba4 V4 P8 H16 O40 Au1"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | d702f61e-93e3-4226-8cac-3ccbe04e01b5 | mp-641191 | Insert a Hf atom in the line between atoms at indices 22 and 84, and the inserted atom must be 2.05 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural U8Tl8Mo12O64
_chemical_formula_sum "U8 Tl8 Mo12 O64"
_cell_length_a 8.414816
_cell_length_b 9.871656
_cell_length_c 20.405515
_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 U8Tl8Mo12O64Hf
_chemical_formula_sum "U8 Tl8 Mo12 O64 Hf1"
_cell_length_a 8.414816
_cell_length_b 9.871656
_cell_length_c 20.405515
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 4c02d18c-456f-4070-bcc1-3fc262deafe7 | mp-1173626 | Insert a Pa atom in the line between atoms at indices 5 and 0, and the inserted atom must be 4.95 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Nd4C2O10
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Nd4C2O10Pa
_chemical_formula_sum "Nd4 C2 O10 Pa1"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | e5db4f47-3a91-4efb-9a5b-0bbe923ede73 | mp-1191177 | Insert a Ga atom in the line between atoms at indices 18 and 4, and the inserted atom must be 5.01 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Tb4Co14B6
_chemical_formula_sum "Tb4 Co14 B6"
_cell_length_a 5.03978762
_cell_length_b 5.03749468
_cell_length_c 12.725759999999998
_cell_angle_alpha 89.99993873
_cell_angle_beta 90.00011549
_cell_angle_gamma 120.0150517
_space_gro... | data_image0
_chemical_formula_structural Tb4Co14B6Ga
_chemical_formula_sum "Tb4 Co14 B6 Ga1"
_cell_length_a 5.03978762
_cell_length_b 5.03749468
_cell_length_c 12.725759999999998
_cell_angle_alpha 89.99993873
_cell_angle_beta 90.00011549
_cell_angle_gamma 120.0150517
_spa... |
InsertBetweenAtomsAction | 048ef8b9-02e6-4a07-9567-c8607029be71 | mp-34237 | Insert a Sc atom in the line between atoms at indices 24 and 32, and the inserted atom must be 3.92 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Mn12Cu6O24
_chemical_formula_sum "Mn12 Cu6 O24"
_cell_length_a 6.11319617
_cell_length_b 6.113196169999999
_cell_length_c 14.74257279
_cell_angle_alpha 87.05947953000002
_cell_angle_beta 87.05947953000002
_cell_angle_gamma 58.126996... | data_image0
_chemical_formula_structural Mn12Cu6O24Sc
_chemical_formula_sum "Mn12 Cu6 O24 Sc1"
_cell_length_a 6.11319617
_cell_length_b 6.113196169999999
_cell_length_c 14.74257279
_cell_angle_alpha 87.05947953000002
_cell_angle_beta 87.05947953000002
_cell_angle_gamma 58.... |
InsertBetweenAtomsAction | 0c6b3090-88c8-41bc-9972-ffdee7fd13b8 | mp-1211273 | Insert a Lr atom in the line between atoms at indices 10 and 6, and the inserted atom must be 0.87 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural La4Cr4Se8O4
_chemical_formula_sum "La4 Cr4 Se8 O4"
_cell_length_a 3.898326
_cell_length_b 8.78312
_cell_length_c 11.70561
_cell_angle_alpha 90.00068837
_cell_angle_beta 89.99871699
_cell_angle_gamma 90.00050427
_space_group_name_H-... | data_image0
_chemical_formula_structural La4Cr4Se8O4Lr
_chemical_formula_sum "La4 Cr4 Se8 O4 Lr1"
_cell_length_a 3.898326
_cell_length_b 8.78312
_cell_length_c 11.70561
_cell_angle_alpha 90.00068837
_cell_angle_beta 89.99871699
_cell_angle_gamma 90.00050427
_space_group_n... |
InsertBetweenAtomsAction | f69f8379-87f6-4feb-b261-a88436f6a55c | mp-2230683 | Insert a Np atom in the line between atoms at indices 15 and 17, and the inserted atom must be 2.42 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural MgGe4Bi2O12
_chemical_formula_sum "Mg1 Ge4 Bi2 O12"
_cell_length_a 5.80941945
_cell_length_b 7.43612217
_cell_length_c 7.245667429999999
_cell_angle_alpha 86.30378382
_cell_angle_beta 78.04470993
_cell_angle_gamma 73.13947178
_spac... | data_image0
_chemical_formula_structural MgGe4Bi2O12Np
_chemical_formula_sum "Mg1 Ge4 Bi2 O12 Np1"
_cell_length_a 5.80941945
_cell_length_b 7.43612217
_cell_length_c 7.245667429999999
_cell_angle_alpha 86.30378382
_cell_angle_beta 78.04470993
_cell_angle_gamma 73.13947178
... |
InsertBetweenAtomsAction | cdb9f3ea-4c0d-43eb-8d53-62ced6379b94 | mp-1235023 | Insert a Nh atom in the line between atoms at indices 8 and 1, and the inserted atom must be 0.79 angstrom from atom at 8 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 LiZn2Fe4O8Nh
_chemical_formula_sum "Li1 Zn2 Fe4 O8 Nh1"
_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 | 3e6f6701-85f7-45c3-9588-91f0535dbe78 | mp-1211033 | Insert a As atom in the line between atoms at indices 12 and 0, and the inserted atom must be 3.97 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... | data_image0
_chemical_formula_structural Lu12In2Fe3As
_chemical_formula_sum "Lu12 In2 Fe3 As1"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_... |
InsertBetweenAtomsAction | 8b371d65-2f66-4e8d-a7ee-9f553d53e36d | mp-1195660 | Insert a Sc atom in the line between atoms at indices 4 and 52, and the inserted atom must be 4.68 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1933492... | data_image0
_chemical_formula_structural Ba8Ga2B20H14O48Sc
_chemical_formula_sum "Ba8 Ga2 B20 H14 O48 Sc1"
_cell_length_a 7.11976946
_cell_length_b 7.11976946
_cell_length_c 22.965198059999995
_cell_angle_alpha 86.9106116
_cell_angle_beta 86.9106116
_cell_angle_gamma 120.1... |
InsertBetweenAtomsAction | 87777589-0422-4eb6-adf1-ada27feb060f | mp-20461 | Insert a Lv atom in the line between atoms at indices 7 and 8, and the inserted atom must be 1.54 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ba2Pb2O6
_chemical_formula_sum "Ba2 Pb2 O6"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
_space... | data_image0
_chemical_formula_structural Ba2Pb2O6Lv
_chemical_formula_sum "Ba2 Pb2 O6 Lv1"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
... |
InsertBetweenAtomsAction | dd374ce3-fb55-44fb-b016-a02c9118b871 | mp-978968 | Insert a In atom in the line between atoms at indices 4 and 6, and the inserted atom must be 3.36 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... | data_image0
_chemical_formula_structural Ti6O4In
_chemical_formula_sum "Ti6 O4 In1"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space... |
InsertBetweenAtomsAction | 2382df03-4c2e-4f92-963b-c24e418cc8e3 | mp-740754 | Insert a Fr atom in the line between atoms at indices 10 and 18, and the inserted atom must be 1.99 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Sm2H16N6O30
_chemical_formula_sum "Sm2 H16 N6 O30"
_cell_length_a 6.80610947
_cell_length_b 8.82664685
_cell_length_c 12.03004984
_cell_angle_alpha 68.70142431
_cell_angle_beta 91.11333889
_cell_angle_gamma 69.58113973
_space_group... | data_image0
_chemical_formula_structural Sm2H16N6O30Fr
_chemical_formula_sum "Sm2 H16 N6 O30 Fr1"
_cell_length_a 6.80610947
_cell_length_b 8.82664685
_cell_length_c 12.03004984
_cell_angle_alpha 68.70142431
_cell_angle_beta 91.11333889
_cell_angle_gamma 69.58113973
_space... |
InsertBetweenAtomsAction | 413490dc-e18e-4a5e-9c79-749ff294e1c8 | mp-686019 | Insert a Sm atom in the line between atoms at indices 11 and 8, and the inserted atom must be 3.37 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Y8Ti8O28
_chemical_formula_sum "Y8 Ti8 O28"
_cell_length_a 7.365875
_cell_length_b 7.39743107
_cell_length_c 10.69679628
_cell_angle_alpha 86.13988558
_cell_angle_beta 88.87738194
_cell_angle_gamma 89.17811148
_space_group_name_H-M... | data_image0
_chemical_formula_structural Y8Ti8O28Sm
_chemical_formula_sum "Y8 Ti8 O28 Sm1"
_cell_length_a 7.365875
_cell_length_b 7.39743107
_cell_length_c 10.69679628
_cell_angle_alpha 86.13988558
_cell_angle_beta 88.87738194
_cell_angle_gamma 89.17811148
_space_group_na... |
InsertBetweenAtomsAction | 63f23ffc-8574-44e5-a515-8689cb40c097 | mp-647812 | Insert a Tc atom in the line between atoms at indices 18 and 25, and the inserted atom must be 5.05 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Cr4C24O24
_chemical_formula_sum "Cr4 C24 O24"
_cell_length_a 6.20407855
_cell_length_b 10.86429383
_cell_length_c 11.50555702
_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 Cr4C24O24Tc
_chemical_formula_sum "Cr4 C24 O24 Tc1"
_cell_length_a 6.20407855
_cell_length_b 10.86429383
_cell_length_c 11.50555702
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 7e201a9e-ff3a-4e06-aa6e-b2c0256809f4 | mp-699431 | Insert a F atom in the line between atoms at indices 15 and 20, and the inserted atom must be 0.51 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Al2H8Se4O16F
_chemical_formula_sum "Al2 H8 Se4 O16 F1"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | 5ab69a77-0547-4716-88a5-0974f5767d87 | mp-1216188 | Insert a Ne atom in the line between atoms at indices 49 and 22, and the inserted atom must be 1.72 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural Zr37Mo15P4
_chemical_formula_sum "Zr37 Mo15 P4"
_cell_length_a 8.75578693
_cell_length_b 8.755895
_cell_length_c 17.550792
_cell_angle_alpha 90.0
_cell_angle_beta 90.00009104
_cell_angle_gamma 59.999595479999996
_space_group_name_H... | data_image0
_chemical_formula_structural Zr37Mo15P4Ne
_chemical_formula_sum "Zr37 Mo15 P4 Ne1"
_cell_length_a 8.75578693
_cell_length_b 8.755895
_cell_length_c 17.550792
_cell_angle_alpha 90.0
_cell_angle_beta 90.00009104
_cell_angle_gamma 59.999595479999996
_space_group_... |
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