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 | ca106523-89ea-4966-a434-ca35e428ac5d | mp-722271 | Insert a Ga atom in the line between atoms at indices 26 and 31, and the inserted atom must be 1.51 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural H28Ru2S4N8O12
_chemical_formula_sum "H28 Ru2 S4 N8 O12"
_cell_length_a 7.091792
_cell_length_b 6.315075
_cell_length_c 11.76688332
_cell_angle_alpha 65.59141609
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural H28Ru2S4N8O12Ga
_chemical_formula_sum "H28 Ru2 S4 N8 O12 Ga1"
_cell_length_a 7.091792
_cell_length_b 6.315075
_cell_length_c 11.76688332
_cell_angle_alpha 65.59141609
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | c5aefd47-b6fc-45de-bef2-0f1bbd8c0b77 | mp-1040333 | Insert a Rh atom in the line between atoms at indices 52 and 16, and the inserted atom must be 0.56 angstrom from atom at 52 in the cif file. | data_image0
_chemical_formula_structural Mg30TiCO32
_chemical_formula_sum "Mg30 Ti1 C1 O32"
_cell_length_a 8.489816
_cell_length_b 8.489816
_cell_length_c 8.641078
_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 Mg30TiCO32Rh
_chemical_formula_sum "Mg30 Ti1 C1 O32 Rh1"
_cell_length_a 8.489816
_cell_length_b 8.489816
_cell_length_c 8.641078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 1a0205ab-5b2e-4a4f-ab36-5d8eec07ef97 | mp-1195087 | Insert a Pr atom in the line between atoms at indices 20 and 22, and the inserted atom must be 0.88 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Tl16Pb4Se12
_chemical_formula_sum "Tl16 Pb4 Se12"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_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 Tl16Pb4Se12Pr
_chemical_formula_sum "Tl16 Pb4 Se12 Pr1"
_cell_length_a 8.55506407
_cell_length_b 8.55506407
_cell_length_c 13.07682448
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 9fc5880d-b81a-400c-a6d2-2a537e70be3c | mp-1227155 | Insert a Ru atom in the line between atoms at indices 10 and 11, and the inserted atom must be 0.47 angstrom from atom at 10 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 Ca4Mg4Zn4Ru
_chemical_formula_sum "Ca4 Mg4 Zn4 Ru1"
_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 | df972e8d-6a61-419d-b7a7-e9b6a10787f3 | mp-1210688 | Insert a Ni atom in the line between atoms at indices 35 and 7, and the inserted atom must be 1.36 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Na11TiNb2Si4P2O24F2
_chemical_formula_sum "Na11 Ti1 Nb2 Si4 P2 O24 F2"
_cell_length_a 5.617235
_cell_length_b 7.28603345
_cell_length_c 14.706664049999999
_cell_angle_alpha 92.80692553
_cell_angle_beta 95.61673149
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Na11TiNb2Si4P2O24F2Ni
_chemical_formula_sum "Na11 Ti1 Nb2 Si4 P2 O24 F2 Ni1"
_cell_length_a 5.617235
_cell_length_b 7.28603345
_cell_length_c 14.706664049999999
_cell_angle_alpha 92.80692553
_cell_angle_beta 95.61673149
_cell_angle_gam... |
InsertBetweenAtomsAction | 70ae93a6-2442-42e7-9520-3579221d36a8 | mp-1332857 | Insert a Fm atom in the line between atoms at indices 6 and 35, and the inserted atom must be 6.64 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mn16Zn8O32
_chemical_formula_sum "Mn16 Zn8 O32"
_cell_length_a 6.08388035
_cell_length_b 6.083880349999999
_cell_length_c 20.13315765
_cell_angle_alpha 81.59376542
_cell_angle_beta 81.59376542
_cell_angle_gamma 59.72851362
_space_g... | data_image0
_chemical_formula_structural Mn16Zn8O32Fm
_chemical_formula_sum "Mn16 Zn8 O32 Fm1"
_cell_length_a 6.08388035
_cell_length_b 6.083880349999999
_cell_length_c 20.13315765
_cell_angle_alpha 81.59376542
_cell_angle_beta 81.59376542
_cell_angle_gamma 59.72851362
_s... |
InsertBetweenAtomsAction | 8c878d79-6231-4780-9372-796d91191509 | mp-1210254 | Insert a Tl atom in the line between atoms at indices 4 and 20, and the inserted atom must be 1.73 angstrom from atom at 4 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 Ni4O16F8Tl
_chemical_formula_sum "Ni4 O16 F8 Tl1"
_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 | a2fda809-3a28-4e93-9b46-c34871be8405 | mp-989179 | Insert a Mc atom in the line between atoms at indices 6 and 8, and the inserted atom must be 5.53 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mo8H2S16
_chemical_formula_sum "Mo8 H2 S16"
_cell_length_a 3.144754
_cell_length_b 13.034438
_cell_length_c 29.668735
_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 Mo8H2S16Mc
_chemical_formula_sum "Mo8 H2 S16 Mc1"
_cell_length_a 3.144754
_cell_length_b 13.034438
_cell_length_c 29.668735
_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 | 1c50c004-c56d-46f4-9dc0-ebdd91e1f590 | mp-1244962 | Insert a Lu atom in the line between atoms at indices 58 and 42, and the inserted atom must be 2.38 angstrom from atom at 58 in the cif file. | data_image0
_chemical_formula_structural Mg40O40
_chemical_formula_sum "Mg40 O40"
_cell_length_a 10.36242297
_cell_length_b 9.006326130000001
_cell_length_c 10.174512770000002
_cell_angle_alpha 96.13607717
_cell_angle_beta 88.32727291
_cell_angle_gamma 90.70177381
_space_... | data_image0
_chemical_formula_structural Mg40O40Lu
_chemical_formula_sum "Mg40 O40 Lu1"
_cell_length_a 10.36242297
_cell_length_b 9.006326130000001
_cell_length_c 10.174512770000002
_cell_angle_alpha 96.13607717
_cell_angle_beta 88.32727291
_cell_angle_gamma 90.70177381
_... |
InsertBetweenAtomsAction | 6c941cfc-26e8-4cb7-b898-5e97a44d3fb7 | mp-766138 | Insert a C atom in the line between atoms at indices 15 and 10, and the inserted atom must be 0.16 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li6Fe4P4O20
_chemical_formula_sum "Li6 Fe4 P4 O20"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li6Fe4P4O20C
_chemical_formula_sum "Li6 Fe4 P4 O20 C1"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_name_H... |
InsertBetweenAtomsAction | 0d1ec657-2eb1-404c-89b9-9f076af0c369 | mp-696780 | Insert a Be atom in the line between atoms at indices 16 and 1, and the inserted atom must be 0.84 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Fe2P4H16O20
_chemical_formula_sum "Fe2 P4 H16 O20"
_cell_length_a 9.748221
_cell_length_b 6.066428
_cell_length_c 8.7510914
_cell_angle_alpha 54.75552624
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Fe2P4H16O20Be
_chemical_formula_sum "Fe2 P4 H16 O20 Be1"
_cell_length_a 9.748221
_cell_length_b 6.066428
_cell_length_c 8.7510914
_cell_angle_alpha 54.75552624
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | afaf26e0-7c52-4651-b348-48386d12acd7 | mp-1666930 | Insert a Zr atom in the line between atoms at indices 6 and 9, and the inserted atom must be 1.07 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li10Cr4Co6O20
_chemical_formula_sum "Li10 Cr4 Co6 O20"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma 70... | data_image0
_chemical_formula_structural Li10Cr4Co6O20Zr
_chemical_formula_sum "Li10 Cr4 Co6 O20 Zr1"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma... |
InsertBetweenAtomsAction | 3ba7de6f-7193-4d08-9e3e-48fb14358954 | mp-29778 | Insert a Np atom in the line between atoms at indices 12 and 1, and the inserted atom must be 3.87 angstrom from atom at 12 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 Nd8Ge14Np
_chemical_formula_sum "Nd8 Ge14 Np1"
_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 | 697f32ce-c393-4900-b1a7-f5d65f376afd | mp-23702 | Insert a V atom in the line between atoms at indices 4 and 14, and the inserted atom must be 4.10 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li4H8N4
_chemical_formula_sum "Li4 H8 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_g... | data_image0
_chemical_formula_structural Li4H8N4V
_chemical_formula_sum "Li4 H8 N4 V1"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_spa... |
InsertBetweenAtomsAction | af749e2b-2de7-435d-a485-e9932ccf36e5 | mp-1208464 | Insert a Cm atom in the line between atoms at indices 12 and 2, and the inserted atom must be 1.28 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Tb16Mg4Co4
_chemical_formula_sum "Tb16 Mg4 Co4"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920851
_spa... | data_image0
_chemical_formula_structural Tb16Mg4Co4Cm
_chemical_formula_sum "Tb16 Mg4 Co4 Cm1"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920851... |
InsertBetweenAtomsAction | 6072faa1-16e3-4fa6-bc1e-a6b43209fad8 | mp-1097047 | Insert a Pb atom in the line between atoms at indices 25 and 32, and the inserted atom must be 0.71 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Fe4Cu8B4O20
_chemical_formula_sum "Fe4 Cu8 B4 O20"
_cell_length_a 3.145458
_cell_length_b 9.74670169
_cell_length_c 12.14921419
_cell_angle_alpha 89.4287378
_cell_angle_beta 89.53839224
_cell_angle_gamma 81.59407378
_space_group_na... | data_image0
_chemical_formula_structural Fe4Cu8B4O20Pb
_chemical_formula_sum "Fe4 Cu8 B4 O20 Pb1"
_cell_length_a 3.145458
_cell_length_b 9.74670169
_cell_length_c 12.14921419
_cell_angle_alpha 89.4287378
_cell_angle_beta 89.53839224
_cell_angle_gamma 81.59407378
_space_gr... |
InsertBetweenAtomsAction | e97f833d-1ed3-4348-b417-065b36704b1f | mp-1516503 | Insert a Ce atom in the line between atoms at indices 7 and 6, and the inserted atom must be 3.02 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural KHfNbInO6
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KHfNbInO6Ce
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6 Ce1"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
InsertBetweenAtomsAction | bfe7d7ab-18ca-484b-8929-c0e2ba604d6c | mp-26956 | Insert a Th atom in the line between atoms at indices 49 and 32, and the inserted atom must be 2.64 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_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 V4P16O48Th
_chemical_formula_sum "V4 P16 O48 Th1"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_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 | 96d89ad4-ff19-4487-982b-ca42e4717bec | mp-1245617 | Insert a Lu atom in the line between atoms at indices 11 and 2, and the inserted atom must be 6.11 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Sr8Cr4N8
_chemical_formula_sum "Sr8 Cr4 N8"
_cell_length_a 6.32990167
_cell_length_b 11.49833427
_cell_length_c 12.449538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 24.734643490000014
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr8Cr4N8Lu
_chemical_formula_sum "Sr8 Cr4 N8 Lu1"
_cell_length_a 6.32990167
_cell_length_b 11.49833427
_cell_length_c 12.449538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 24.734643490000014
_space_group_name_H-M... |
InsertBetweenAtomsAction | e3129801-4e10-4c82-bb5b-cdb0de230eaf | mp-1105068 | Insert a Pu atom in the line between atoms at indices 5 and 0, and the inserted atom must be 0.75 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7Pu
_chemical_formula_sum "Ba1 Y1 Fe4 O7 Pu1"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_s... |
InsertBetweenAtomsAction | 013cc9cc-4f8b-40e8-8cde-d0668e4af2d6 | mp-2229983 | Insert a Ne atom in the line between atoms at indices 2 and 10, and the inserted atom must be 1.80 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural MgGe4Bi2O12
_chemical_formula_sum "Mg1 Ge4 Bi2 O12"
_cell_length_a 5.65643612
_cell_length_b 7.5984859600000005
_cell_length_c 7.59848734
_cell_angle_alpha 83.18987735
_cell_angle_beta 76.8823644
_cell_angle_gamma 76.88235691
_spac... | data_image0
_chemical_formula_structural MgGe4Bi2O12Ne
_chemical_formula_sum "Mg1 Ge4 Bi2 O12 Ne1"
_cell_length_a 5.65643612
_cell_length_b 7.5984859600000005
_cell_length_c 7.59848734
_cell_angle_alpha 83.18987735
_cell_angle_beta 76.8823644
_cell_angle_gamma 76.88235691
... |
InsertBetweenAtomsAction | e6120278-7e05-45bc-ad3d-c38046f2cdb0 | mp-1320208 | Insert a Li atom in the line between atoms at indices 3 and 8, and the inserted atom must be 2.79 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ba4Y2Cr6O14
_chemical_formula_sum "Ba4 Y2 Cr6 O14"
_cell_length_a 5.62234459
_cell_length_b 12.448562939999999
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta 91.54529385000001
_cell_angle_gamma 102.69469371... | data_image0
_chemical_formula_structural Ba4Y2Cr6O14Li
_chemical_formula_sum "Ba4 Y2 Cr6 O14 Li1"
_cell_length_a 5.62234459
_cell_length_b 12.448562939999999
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta 91.54529385000001
_cell_angle_gamma 102.69... |
InsertBetweenAtomsAction | 3f90e9c0-df99-47bd-b559-a0aba293d938 | mp-531064 | Insert a Ru atom in the line between atoms at indices 19 and 59, and the inserted atom must be 2.84 angstrom from atom at 19 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 K8Mo24Br56Ru
_chemical_formula_sum "K8 Mo24 Br56 Ru1"
_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 | b744e8b2-7a83-4d87-aaf8-72f157be4602 | mp-3380 | Insert a Re atom in the line between atoms at indices 0 and 10, and the inserted atom must be 2.40 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 La4Rh4C8Re
_chemical_formula_sum "La4 Rh4 C8 Re1"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 | 51e2ede9-368e-4425-bc36-a68c5ba67fab | mp-1172905 | Insert a Sg atom in the line between atoms at indices 6 and 3, and the inserted atom must be 1.68 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ag3Bi3S6Sg
_chemical_formula_sum "Ag3 Bi3 S6 Sg1"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 840fdf0e-27e0-49f6-bf84-c783bb2f3fad | mp-1211239 | Insert a Cm atom in the line between atoms at indices 31 and 3, and the inserted atom must be 2.96 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Nd4S6O40
_chemical_formula_sum "Nd4 S6 O40"
_cell_length_a 6.92283015
_cell_length_b 6.92283015
_cell_length_c 20.06569612
_cell_angle_alpha 81.47478249
_cell_angle_beta 81.47478249
_cell_angle_gamma 60.71262649000001
_space_group_... | data_image0
_chemical_formula_structural Nd4S6O40Cm
_chemical_formula_sum "Nd4 S6 O40 Cm1"
_cell_length_a 6.92283015
_cell_length_b 6.92283015
_cell_length_c 20.06569612
_cell_angle_alpha 81.47478249
_cell_angle_beta 81.47478249
_cell_angle_gamma 60.71262649000001
_space_... |
InsertBetweenAtomsAction | 6144203e-0eed-4dcc-82bf-f66a795eb88d | mp-1218449 | Insert a Cf atom in the line between atoms at indices 9 and 0, and the inserted atom must be 1.70 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12Cf
_chemical_formula_sum "Sr2 Ca6 Ir2 O12 Cf1"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_gr... |
InsertBetweenAtomsAction | 93cc9164-42b7-449c-9f9c-7cdab4970916 | mp-557626 | Insert a Kr atom in the line between atoms at indices 17 and 12, and the inserted atom must be 1.10 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Gd8Ti4O20
_chemical_formula_sum "Gd8 Ti4 O20"
_cell_length_a 3.7458484
_cell_length_b 10.49807509
_cell_length_c 11.34388027
_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 Gd8Ti4O20Kr
_chemical_formula_sum "Gd8 Ti4 O20 Kr1"
_cell_length_a 3.7458484
_cell_length_b 10.49807509
_cell_length_c 11.34388027
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | c3489390-e5f7-4440-894e-d2b216cd1559 | mp-1218759 | Insert a Pr atom in the line between atoms at indices 4 and 5, and the inserted atom must be 2.18 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Sr2NdTlCu2O7
_chemical_formula_sum "Sr2 Nd1 Tl1 Cu2 O7"
_cell_length_a 3.859695
_cell_length_b 3.873027
_cell_length_c 12.314699
_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 Sr2NdTlCu2O7Pr
_chemical_formula_sum "Sr2 Nd1 Tl1 Cu2 O7 Pr1"
_cell_length_a 3.859695
_cell_length_b 3.873027
_cell_length_c 12.314699
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | ea5cc5c5-c463-4633-a741-d972e468efb0 | mp-1213447 | Insert a K atom in the line between atoms at indices 9 and 27, and the inserted atom must be 8.30 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2K
_chemical_formula_sum "K2 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma 90... |
InsertBetweenAtomsAction | f945c0cc-d9f4-44cd-a814-3b2c8ea9438c | mp-1521703 | Insert a Fr atom in the line between atoms at indices 8 and 1, and the inserted atom must be 5.28 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural BaZr2SnO6
_chemical_formula_sum "Ba1 Zr2 Sn1 O6"
_cell_length_a 4.2278895
_cell_length_b 4.22779909
_cell_length_c 8.45162975
_cell_angle_alpha 90.0
_cell_angle_beta 90.02101367
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaZr2SnO6Fr
_chemical_formula_sum "Ba1 Zr2 Sn1 O6 Fr1"
_cell_length_a 4.2278895
_cell_length_b 4.22779909
_cell_length_c 8.45162975
_cell_angle_alpha 90.0
_cell_angle_beta 90.02101367
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 7aedfbb2-83ef-4e5a-896d-946c58066796 | mp-1196464 | Insert a U atom in the line between atoms at indices 23 and 13, and the inserted atom must be 6.89 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Cs4Fe4Ag4F24
_chemical_formula_sum "Cs4 Fe4 Ag4 F24"
_cell_length_a 7.586403
_cell_length_b 7.721376
_cell_length_c 10.868196
_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 Cs4Fe4Ag4F24U
_chemical_formula_sum "Cs4 Fe4 Ag4 F24 U1"
_cell_length_a 7.586403
_cell_length_b 7.721376
_cell_length_c 10.868196
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 9f1068b4-012d-4db6-bd5d-962d7d845394 | mp-531661 | Insert a Mn atom in the line between atoms at indices 25 and 20, and the inserted atom must be 4.16 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd10Ti12O39Mn
_chemical_formula_sum "Nd10 Ti12 O39 Mn1"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_... |
InsertBetweenAtomsAction | e0da6930-b2ac-47d3-9941-643276d2daf9 | mp-1175891 | Insert a Li atom in the line between atoms at indices 2 and 15, and the inserted atom must be 1.34 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.116323
_cell_length_b 7.64613856
_cell_length_c 7.821690619999999
_cell_angle_alpha 97.97207279
_cell_angle_beta 101.73332476
_cell_angle_gamma 103.21506005
_spa... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li
_chemical_formula_sum "Li10 Mn2 Co5 O16"
_cell_length_a 5.116323
_cell_length_b 7.64613856
_cell_length_c 7.821690619999999
_cell_angle_alpha 97.97207279
_cell_angle_beta 101.73332476
_cell_angle_gamma 103.21506005
_... |
InsertBetweenAtomsAction | a521a148-c461-4d0c-9dd2-a26307962eff | mp-728431 | Insert a Au atom in the line between atoms at indices 21 and 14, and the inserted atom must be 2.26 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Li4Cr4O18
_chemical_formula_sum "Li4 Cr4 O18"
_cell_length_a 8.53267349
_cell_length_b 8.53267349
_cell_length_c 6.6120849
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 120.35945653
_space_group_name_... | data_image0
_chemical_formula_structural Li4Cr4O18Au
_chemical_formula_sum "Li4 Cr4 O18 Au1"
_cell_length_a 8.53267349
_cell_length_b 8.53267349
_cell_length_c 6.6120849
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 120.35945653
_space_group... |
InsertBetweenAtomsAction | 96187b1a-093f-4dc9-943a-c72fe8fca7ff | mp-1019719 | Insert a B atom in the line between atoms at indices 61 and 28, and the inserted atom must be 7.33 angstrom from atom at 61 in the cif file. | data_image0
_chemical_formula_structural Cs8Si16B8O48
_chemical_formula_sum "Cs8 Si16 B8 O48"
_cell_length_a 11.38970566
_cell_length_b 11.389705660000002
_cell_length_c 11.38970566
_cell_angle_alpha 109.25511421999998
_cell_angle_beta 109.25511421999998
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Cs8Si16B8O48B
_chemical_formula_sum "Cs8 Si16 B9 O48"
_cell_length_a 11.38970566
_cell_length_b 11.389705660000002
_cell_length_c 11.38970566
_cell_angle_alpha 109.25511421999998
_cell_angle_beta 109.25511421999998
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 1adce1f9-bc7b-4591-9453-04285020d560 | mp-1072988 | Insert a Og atom in the line between atoms at indices 11 and 5, and the inserted atom must be 0.84 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 6.07136022
_cell_length_b 6.07136022
_cell_length_c 15.70600415
_cell_angle_alpha 82.26827983
_cell_angle_beta 82.26827983
_cell_angle_gamma 40.134289769999995
_space_group_na... | data_image0
_chemical_formula_structural Mg8Si12Og
_chemical_formula_sum "Mg8 Si12 Og1"
_cell_length_a 6.07136022
_cell_length_b 6.07136022
_cell_length_c 15.70600415
_cell_angle_alpha 82.26827983
_cell_angle_beta 82.26827983
_cell_angle_gamma 40.134289769999995
_space_gr... |
InsertBetweenAtomsAction | 0e5a3f60-5cc5-4291-8840-9d3097844761 | mp-1095411 | Insert a Hf atom in the line between atoms at indices 6 and 9, and the inserted atom must be 1.85 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural EuIn2Ge4Ir4
_chemical_formula_sum "Eu1 In2 Ge4 Ir4"
_cell_length_a 6.63908276
_cell_length_b 6.63908276
_cell_length_c 6.63908276
_cell_angle_alpha 116.23124229
_cell_angle_beta 116.23124229
_cell_angle_gamma 96.66187853999999
_spa... | data_image0
_chemical_formula_structural EuIn2Ge4Ir4Hf
_chemical_formula_sum "Eu1 In2 Ge4 Ir4 Hf1"
_cell_length_a 6.63908276
_cell_length_b 6.63908276
_cell_length_c 6.63908276
_cell_angle_alpha 116.23124229
_cell_angle_beta 116.23124229
_cell_angle_gamma 96.66187853999999... |
InsertBetweenAtomsAction | 54e08551-7884-4e8f-8b9d-1143836bc1ad | mp-28684 | Insert a Np atom in the line between atoms at indices 5 and 31, and the inserted atom must be 9.12 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Sb14Se16F70
_chemical_formula_sum "Sb14 Se16 F70"
_cell_length_a 13.914392
_cell_length_b 11.419592
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sb14Se16F70Np
_chemical_formula_sum "Sb14 Se16 F70 Np1"
_cell_length_a 13.914392
_cell_length_b 11.419592
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 583845bb-abf5-45e1-8997-966c9d40ea01 | mp-1208667 | Insert a Al atom in the line between atoms at indices 9 and 5, and the inserted atom must be 4.76 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Sr2C4O10
_chemical_formula_sum "Sr2 C4 O10"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_group_n... | data_image0
_chemical_formula_structural Sr2C4O10Al
_chemical_formula_sum "Sr2 C4 O10 Al1"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_g... |
InsertBetweenAtomsAction | c8a57188-8dab-4e8f-b15d-e76d875bb752 | mp-1080794 | Insert a Am atom in the line between atoms at indices 1 and 9, and the inserted atom must be 4.79 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Tb2P2Ru4C2
_chemical_formula_sum "Tb2 P2 Ru4 C2"
_cell_length_a 5.83282683
_cell_length_b 5.83282683
_cell_length_c 7.078588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 141.93686356000003
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Tb2P2Ru4C2Am
_chemical_formula_sum "Tb2 P2 Ru4 C2 Am1"
_cell_length_a 5.83282683
_cell_length_b 5.83282683
_cell_length_c 7.078588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 141.93686356000003
_space_group_name_... |
InsertBetweenAtomsAction | bdf33fb2-38de-4140-a9e4-b235fb5e72c5 | mp-2713621 | Insert a Kr atom in the line between atoms at indices 2 and 50, and the inserted atom must be 5.05 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48Kr
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48 Kr1"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma ... |
InsertBetweenAtomsAction | b80857d9-2db4-4986-ab78-61a7ba74bfb9 | mp-1028643 | Insert a Tm atom in the line between atoms at indices 8 and 6, and the inserted atom must be 5.71 angstrom from atom at 8 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 Te6Mo2W2S2Tm
_chemical_formula_sum "Te6 Mo2 W2 S2 Tm1"
_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_na... |
InsertBetweenAtomsAction | 31bea751-6760-42e8-af0b-54667210c3c0 | mp-1196543 | Insert a Cn atom in the line between atoms at indices 47 and 36, and the inserted atom must be 2.24 angstrom from atom at 47 in the cif file. | data_image0
_chemical_formula_structural Ga40Mo8C
_chemical_formula_sum "Ga40 Mo8 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ga40Mo8CCn
_chemical_formula_sum "Ga40 Mo8 C1 Cn1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_na... |
InsertBetweenAtomsAction | 5a6ff8b6-2d74-491e-9ab8-8dd7160f3aea | mp-29393 | Insert a Bi atom in the line between atoms at indices 0 and 15, and the inserted atom must be 2.03 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural U2Nb4O14
_chemical_formula_sum "U2 Nb4 O14"
_cell_length_a 10.81807734
_cell_length_b 10.81807734
_cell_length_c 6.543083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 159.67399374
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural U2Nb4O14Bi
_chemical_formula_sum "U2 Nb4 O14 Bi1"
_cell_length_a 10.81807734
_cell_length_b 10.81807734
_cell_length_c 6.543083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 159.67399374
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 51247227-db6d-41c8-bc7e-dac5245388eb | mp-758894 | Insert a Sc atom in the line between atoms at indices 4 and 12, and the inserted atom must be 5.85 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li4Ti2Te6O24
_chemical_formula_sum "Li4 Ti2 Te6 O24"
_cell_length_a 8.520907
_cell_length_b 7.079706
_cell_length_c 7.29606655
_cell_angle_alpha 87.35303227000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li4Ti2Te6O24Sc
_chemical_formula_sum "Li4 Ti2 Te6 O24 Sc1"
_cell_length_a 8.520907
_cell_length_b 7.079706
_cell_length_c 7.29606655
_cell_angle_alpha 87.35303227000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | 3cf3a469-9628-4529-90a7-6e1b9de21f01 | mp-1212483 | Insert a Hs atom in the line between atoms at indices 48 and 34, and the inserted atom must be 4.72 angstrom from atom at 48 in the cif file. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N4O28Hs
_chemical_formula_sum "Hg16 P4 H4 N4 O28 Hs1"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | cae56716-59da-4784-b7c2-e2b812632ea3 | mp-1516307 | Insert a Pb atom in the line between atoms at indices 2 and 8, and the inserted atom must be 4.21 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural KLaDyFeO6
_chemical_formula_sum "K1 La1 Dy1 Fe1 O6"
_cell_length_a 5.73485535
_cell_length_b 5.73485535
_cell_length_c 5.734855349999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... | data_image0
_chemical_formula_structural KLaDyFeO6Pb
_chemical_formula_sum "K1 La1 Dy1 Fe1 O6 Pb1"
_cell_length_a 5.73485535
_cell_length_b 5.73485535
_cell_length_c 5.734855349999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
InsertBetweenAtomsAction | b17a32e9-e91a-445a-b1ea-4f0cd17d9089 | mp-1201281 | Insert a Mc atom in the line between atoms at indices 39 and 13, and the inserted atom must be 6.09 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_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 Cs4Np4Mo4O28Mc
_chemical_formula_sum "Cs4 Np4 Mo4 O28 Mc1"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 812bbd94-170d-49d0-9d4a-273e34b03e64 | mp-1075627 | Insert a Zr atom in the line between atoms at indices 19 and 25, and the inserted atom must be 6.47 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 6.95179
_cell_length_b 7.0860226
_cell_length_c 12.60241938
_cell_angle_alpha 76.53564366000002
_cell_angle_beta 82.94999404
_cell_angle_gamma 62.96007212000001
_space_group... | data_image0
_chemical_formula_structural Mg10Si18Zr
_chemical_formula_sum "Mg10 Si18 Zr1"
_cell_length_a 6.95179
_cell_length_b 7.0860226
_cell_length_c 12.60241938
_cell_angle_alpha 76.53564366000002
_cell_angle_beta 82.94999404
_cell_angle_gamma 62.96007212000001
_space... |
InsertBetweenAtomsAction | 2f278634-730e-4d29-ba14-89bddba2d92c | mp-1105354 | Insert a Rn atom in the line between atoms at indices 14 and 12, and the inserted atom must be 3.18 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Ca4Fe2Cu2S2O6
_chemical_formula_sum "Ca4 Fe2 Cu2 S2 O6"
_cell_length_a 3.87717203
_cell_length_b 3.87472426
_cell_length_c 14.90745591
_cell_angle_alpha 90.03974904
_cell_angle_beta 90.00472766
_cell_angle_gamma 89.98749329
_space_... | data_image0
_chemical_formula_structural Ca4Fe2Cu2S2O6Rn
_chemical_formula_sum "Ca4 Fe2 Cu2 S2 O6 Rn1"
_cell_length_a 3.87717203
_cell_length_b 3.87472426
_cell_length_c 14.90745591
_cell_angle_alpha 90.03974904
_cell_angle_beta 90.00472766
_cell_angle_gamma 89.98749329
_... |
InsertBetweenAtomsAction | da2d2486-9bb4-419f-b98c-50e8ae8045ee | mp-1228475 | Insert a Sg atom in the line between atoms at indices 37 and 35, and the inserted atom must be 5.54 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Mn2Co8O28Sg
_chemical_formula_sum "Ba10 Mn2 Co8 O28 Sg1"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 4923881a-5f45-4221-8d68-fdf2666e8727 | mp-1401213 | Insert a Ho atom in the line between atoms at indices 13 and 2, and the inserted atom must be 1.86 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Mg2Ti4O8
_chemical_formula_sum "Mg2 Ti4 O8"
_cell_length_a 7.6351781
_cell_length_b 7.6351781
_cell_length_c 9.63444063
_cell_angle_alpha 51.23972896
_cell_angle_beta 51.23972896
_cell_angle_gamma 21.98626025999998
_space_group_nam... | data_image0
_chemical_formula_structural Mg2Ti4O8Ho
_chemical_formula_sum "Mg2 Ti4 O8 Ho1"
_cell_length_a 7.6351781
_cell_length_b 7.6351781
_cell_length_c 9.63444063
_cell_angle_alpha 51.23972896
_cell_angle_beta 51.23972896
_cell_angle_gamma 21.98626025999998
_space_gro... |
InsertBetweenAtomsAction | 2338fe51-5c97-471a-b494-1eeb8ab57f8c | mp-1176457 | Insert a Sn atom in the line between atoms at indices 15 and 7, and the inserted atom must be 1.40 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Mn6O2F10
_chemical_formula_sum "Mn6 O2 F10"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn6O2F10Sn
_chemical_formula_sum "Mn6 O2 F10 Sn1"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_nam... |
InsertBetweenAtomsAction | b13023a9-975e-4433-b3a9-c21317baa543 | mp-30012 | Insert a Pd atom in the line between atoms at indices 21 and 13, and the inserted atom must be 6.01 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Bi4Kr4F28
_chemical_formula_sum "Bi4 Kr4 F28"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Bi4Kr4F28Pd
_chemical_formula_sum "Bi4 Kr4 F28 Pd1"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 7d4b84c2-d997-4614-8b81-d59ab18bbc18 | mp-758646 | Insert a Tm atom in the line between atoms at indices 13 and 12, and the inserted atom must be 0.42 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Li4V4F20
_chemical_formula_sum "Li4 V4 F20"
_cell_length_a 5.9939823
_cell_length_b 5.993982300000001
_cell_length_c 10.877277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.87053668
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4V4F20Tm
_chemical_formula_sum "Li4 V4 F20 Tm1"
_cell_length_a 5.9939823
_cell_length_b 5.993982300000001
_cell_length_c 10.877277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.87053668
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 766f5fe5-bf8d-441a-b073-80643eb3f182 | mp-1239191 | Insert a Pa atom in the line between atoms at indices 0 and 6, and the inserted atom must be 2.04 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Cs4Cr8S16
_chemical_formula_sum "Cs4 Cr8 S16"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_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 Cs4Cr8S16Pa
_chemical_formula_sum "Cs4 Cr8 S16 Pa1"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_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 | b961bb6b-6cb6-4107-82bd-c623ec645deb | mp-850401 | Insert a Ti atom in the line between atoms at indices 3 and 0, and the inserted atom must be 2.09 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li8Fe4O4F12
_chemical_formula_sum "Li8 Fe4 O4 F12"
_cell_length_a 5.964115
_cell_length_b 5.964249000000001
_cell_length_c 8.58639
_cell_angle_alpha 90.00007179
_cell_angle_beta 89.99975499999998
_cell_angle_gamma 89.99676256
_spac... | data_image0
_chemical_formula_structural Li8Fe4O4F12Ti
_chemical_formula_sum "Li8 Fe4 O4 F12 Ti1"
_cell_length_a 5.964115
_cell_length_b 5.964249000000001
_cell_length_c 8.58639
_cell_angle_alpha 90.00007179
_cell_angle_beta 89.99975499999998
_cell_angle_gamma 89.99676256
... |
InsertBetweenAtomsAction | 6506f99d-0f76-4c00-a1d2-c8ead9e6dba1 | mp-1029771 | Insert a Cn atom in the line between atoms at indices 10 and 2, and the inserted atom must be 0.87 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca8Re4N12Cn
_chemical_formula_sum "Ca8 Re4 N12 Cn1"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.52523426000001... |
InsertBetweenAtomsAction | 6e520e18-ce39-4ebf-80f0-e02b373a2efc | mp-763174 | Insert a Cs atom in the line between atoms at indices 10 and 5, and the inserted atom must be 1.03 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.827165259999994
_space... | data_image0
_chemical_formula_structural Li8V4O8F4Cs
_chemical_formula_sum "Li8 V4 O8 F4 Cs1"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.827165259999994
... |
InsertBetweenAtomsAction | 341d66e6-57e7-4dee-a075-baac77c1799c | mp-1175453 | Insert a Pu atom in the line between atoms at indices 16 and 20, and the inserted atom must be 3.84 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.083666
_cell_length_b 5.89114957
_cell_length_c 10.09419816
_cell_angle_alpha 88.84453634999998
_cell_angle_beta 99.76659610999998
_cell_angle_gamma 107.65282792
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Pu
_chemical_formula_sum "Li9 Mn2 Co5 O16 Pu1"
_cell_length_a 5.083666
_cell_length_b 5.89114957
_cell_length_c 10.09419816
_cell_angle_alpha 88.84453634999998
_cell_angle_beta 99.76659610999998
_cell_angle_gamma 107.652... |
InsertBetweenAtomsAction | 2c46b65b-fc04-44b1-a882-0d058a26c23f | mp-1194096 | Insert a Ru atom in the line between atoms at indices 20 and 58, and the inserted atom must be 0.75 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Sr8Ni4Se12O36
_chemical_formula_sum "Sr8 Ni4 Se12 O36"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 107.365... | data_image0
_chemical_formula_structural Sr8Ni4Se12O36Ru
_chemical_formula_sum "Sr8 Ni4 Se12 O36 Ru1"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 1... |
InsertBetweenAtomsAction | f5b30a8f-6bfc-4bc0-b244-5fe8a8f13fde | mp-23013 | Insert a At atom in the line between atoms at indices 18 and 11, and the inserted atom must be 1.63 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 U4Cl8O8At
_chemical_formula_sum "U4 Cl8 O8 At1"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 | e44598f3-4cd1-4246-ab01-5063792ad838 | mp-1198616 | Insert a Rb atom in the line between atoms at indices 54 and 27, and the inserted atom must be 2.98 angstrom from atom at 54 in the cif file. | data_image0
_chemical_formula_structural Na4In4B4P8H4O36
_chemical_formula_sum "Na4 In4 B4 P8 H4 O36"
_cell_length_a 5.17658486
_cell_length_b 16.79093092
_cell_length_c 8.95999236
_cell_angle_alpha 90.0
_cell_angle_beta 121.13523207000001
_cell_angle_gamma 90.0
_space_gr... | data_image0
_chemical_formula_structural Na4In4B4P8H4O36Rb
_chemical_formula_sum "Na4 In4 B4 P8 H4 O36 Rb1"
_cell_length_a 5.17658486
_cell_length_b 16.79093092
_cell_length_c 8.95999236
_cell_angle_alpha 90.0
_cell_angle_beta 121.13523207000001
_cell_angle_gamma 90.0
_sp... |
InsertBetweenAtomsAction | b9d818d8-6bdd-4daa-a819-ebf71734efd1 | mp-980108 | Insert a C atom in the line between atoms at indices 5 and 4, and the inserted atom must be 2.64 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Sm4Mg2Ir2O12
_chemical_formula_sum "Sm4 Mg2 Ir2 O12"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sm4Mg2Ir2O12C
_chemical_formula_sum "Sm4 Mg2 Ir2 O12 C1"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 0ee97036-a76c-48c5-adf2-e7980e314e8b | mp-1217947 | Insert a Fr atom in the line between atoms at indices 5 and 31, and the inserted atom must be 0.69 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 Ta4Nb4Ag8O24Fr
_chemical_formula_sum "Ta4 Nb4 Ag8 O24 Fr1"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 98dcdf5e-d0e7-4184-b0ad-34a2a0a35bdc | mp-697807 | Insert a In atom in the line between atoms at indices 28 and 53, and the inserted atom must be 2.17 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Li2Mn8P14O48
_chemical_formula_sum "Li2 Mn8 P14 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 105.6353... | data_image0
_chemical_formula_structural Li2Mn8P14O48In
_chemical_formula_sum "Li2 Mn8 P14 O48 In1"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 10... |
InsertBetweenAtomsAction | 4e00016d-6eab-4b11-9777-aa637a64d6e9 | mp-755699 | Insert a Sb atom in the line between atoms at indices 10 and 14, and the inserted atom must be 0.69 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li4CrCu3O8
_chemical_formula_sum "Li4 Cr1 Cu3 O8"
_cell_length_a 10.14217904
_cell_length_b 10.14144136
_cell_length_c 14.33816371
_cell_angle_alpha 19.50460015000001
_cell_angle_beta 19.503536469999972
_cell_angle_gamma 33.61800237... | data_image0
_chemical_formula_structural Li4CrCu3O8Sb
_chemical_formula_sum "Li4 Cr1 Cu3 O8 Sb1"
_cell_length_a 10.14217904
_cell_length_b 10.14144136
_cell_length_c 14.33816371
_cell_angle_alpha 19.50460015000001
_cell_angle_beta 19.503536469999972
_cell_angle_gamma 33.61... |
InsertBetweenAtomsAction | e8fa2fa5-2c6f-4c17-93f1-e9df96168b0c | mp-625941 | Insert a Tb atom in the line between atoms at indices 11 and 5, and the inserted atom must be 0.74 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural TeH6O6
_chemical_formula_sum "Te1 H6 O6"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... | data_image0
_chemical_formula_structural TeH6O6Tb
_chemical_formula_sum "Te1 H6 O6 Tb1"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599... |
InsertBetweenAtomsAction | dc07a8c3-30f1-4099-a275-8f88487285ca | mp-1179245 | Insert a O atom in the line between atoms at indices 20 and 28, and the inserted atom must be 0.72 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... | data_image0
_chemical_formula_structural V6H12O21
_chemical_formula_sum "V6 H12 O21"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... |
InsertBetweenAtomsAction | 500141c1-e7ee-43d9-a50e-5aa04c6c0a21 | mp-1114234 | Insert a Li atom in the line between atoms at indices 4 and 7, and the inserted atom must be 1.33 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Na2LiRhF6
_chemical_formula_sum "Na2 Li1 Rh1 F6"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Na2LiRhF6Li
_chemical_formula_sum "Na2 Li2 Rh1 F6"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
InsertBetweenAtomsAction | bc7a386f-9dd8-4668-a1d4-86551889abc5 | mp-766386 | Insert a Pt atom in the line between atoms at indices 18 and 13, and the inserted atom must be 7.67 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Mn6Fe2P8O32
_chemical_formula_sum "Mn6 Fe2 P8 O32"
_cell_length_a 11.53339526
_cell_length_b 11.533395260000002
_cell_length_c 4.92890101
_cell_angle_alpha 89.99746044999999
_cell_angle_beta 89.99746044999999
_cell_angle_gamma 62.83... | data_image0
_chemical_formula_structural Mn6Fe2P8O32Pt
_chemical_formula_sum "Mn6 Fe2 P8 O32 Pt1"
_cell_length_a 11.53339526
_cell_length_b 11.533395260000002
_cell_length_c 4.92890101
_cell_angle_alpha 89.99746044999999
_cell_angle_beta 89.99746044999999
_cell_angle_gamma ... |
InsertBetweenAtomsAction | fcac208a-f4c1-451e-af5f-ecef6fb86a9e | mp-757196 | Insert a Tl atom in the line between atoms at indices 0 and 1, and the inserted atom must be 3.70 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Hg4W4O14
_chemical_formula_sum "Hg4 W4 O14"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_group_na... | data_image0
_chemical_formula_structural Hg4W4O14Tl
_chemical_formula_sum "Hg4 W4 O14 Tl1"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_gr... |
InsertBetweenAtomsAction | 384bc615-11cd-4309-a1cb-1a173e3495da | mp-768505 | Insert a Zn atom in the line between atoms at indices 9 and 17, and the inserted atom must be 1.97 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Lu6Ga6O18
_chemical_formula_sum "Lu6 Ga6 O18"
_cell_length_a 5.90261744
_cell_length_b 5.90261585
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.99995016
_cell_angle_gamma 119.99938731
_space_gr... | data_image0
_chemical_formula_structural Lu6Ga6O18Zn
_chemical_formula_sum "Lu6 Ga6 O18 Zn1"
_cell_length_a 5.90261744
_cell_length_b 5.90261585
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.99995016
_cell_angle_gamma 119.99938731
_sp... |
InsertBetweenAtomsAction | a182afac-53e5-41a7-9bcf-dbc278a557cb | mp-1208355 | Insert a Ba atom in the line between atoms at indices 11 and 9, and the inserted atom must be 1.93 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Tb4As4O8
_chemical_formula_sum "Tb4 As4 O8"
_cell_length_a 7.00963605
_cell_length_b 7.00963605
_cell_length_c 7.009636050000001
_cell_angle_alpha 109.77864946
_cell_angle_beta 109.77864946
_cell_angle_gamma 108.85809727
_space_gro... | data_image0
_chemical_formula_structural Tb4As4O8Ba
_chemical_formula_sum "Tb4 As4 O8 Ba1"
_cell_length_a 7.00963605
_cell_length_b 7.00963605
_cell_length_c 7.009636050000001
_cell_angle_alpha 109.77864946
_cell_angle_beta 109.77864946
_cell_angle_gamma 108.85809727
_spa... |
InsertBetweenAtomsAction | eb54b6b9-299d-4840-af1f-08bed9306b61 | mp-978989 | Insert a Ca atom in the line between atoms at indices 8 and 18, and the inserted atom must be 1.53 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Tc14B6
_chemical_formula_sum "Tc14 B6"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Tc14B6Ca
_chemical_formula_sum "Tc14 B6 Ca1"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | e7ab17f5-4856-4dc2-b4e6-99a6935454ca | mp-1079634 | Insert a Pr atom in the line between atoms at indices 5 and 3, and the inserted atom must be 4.92 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Tb4Sn2Au4Pr
_chemical_formula_sum "Tb4 Sn2 Au4 Pr1"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-... |
InsertBetweenAtomsAction | 3efbb367-865d-41d4-9be2-101ad43502e0 | mp-1223532 | Insert a Pt atom in the line between atoms at indices 10 and 9, and the inserted atom must be 2.59 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_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 K2La2C2O8Pt
_chemical_formula_sum "K2 La2 C2 O8 Pt1"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_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 | 53469d4d-082d-4c41-a02b-0bc7b7c8f307 | mp-1043615 | Insert a O atom in the line between atoms at indices 37 and 8, and the inserted atom must be 6.21 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural Mn6Zn2P8O28
_chemical_formula_sum "Mn6 Zn2 P8 O28"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 9.902182270000003
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn6Zn2P8O29
_chemical_formula_sum "Mn6 Zn2 P8 O29"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 9.902182270000003
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 86e0af63-abf6-48df-bdfe-81c2d90616e8 | mp-1206319 | Insert a Pu atom in the line between atoms at indices 0 and 2, and the inserted atom must be 4.15 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Rb2Co2Br6
_chemical_formula_sum "Rb2 Co2 Br6"
_cell_length_a 7.42861131
_cell_length_b 7.42750215
_cell_length_c 6.244587669999999
_cell_angle_alpha 89.99999801
_cell_angle_beta 90.00002781999999
_cell_angle_gamma 119.99551734999999... | data_image0
_chemical_formula_structural Rb2Co2Br6Pu
_chemical_formula_sum "Rb2 Co2 Br6 Pu1"
_cell_length_a 7.42861131
_cell_length_b 7.42750215
_cell_length_c 6.244587669999999
_cell_angle_alpha 89.99999801
_cell_angle_beta 90.00002781999999
_cell_angle_gamma 119.99551734... |
InsertBetweenAtomsAction | f5ba2faf-cb60-4637-9fd8-c2751397d108 | mp-850540 | Insert a Dy atom in the line between atoms at indices 42 and 1, and the inserted atom must be 7.60 angstrom from atom at 42 in the cif file. | data_image0
_chemical_formula_structural Zn4Fe8P12O48
_chemical_formula_sum "Zn4 Fe8 P12 O48"
_cell_length_a 5.956416
_cell_length_b 4.893716
_cell_length_c 29.86220092
_cell_angle_alpha 89.98575769
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zn4Fe8P12O48Dy
_chemical_formula_sum "Zn4 Fe8 P12 O48 Dy1"
_cell_length_a 5.956416
_cell_length_b 4.893716
_cell_length_c 29.86220092
_cell_angle_alpha 89.98575769
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | c5e112be-493f-4348-b3ba-f03cb8ac1187 | mp-549058 | Insert a Pm atom in the line between atoms at indices 5 and 1, and the inserted atom must be 7.86 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ba4Fe4Se4O2F4
_chemical_formula_sum "Ba4 Fe4 Se4 O2 F4"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90.00067... | data_image0
_chemical_formula_structural Ba4Fe4Se4O2F4Pm
_chemical_formula_sum "Ba4 Fe4 Se4 O2 F4 Pm1"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90... |
InsertBetweenAtomsAction | 5b63e1be-6cfe-4ffa-8d88-bc6e8aa0d263 | mp-1192688 | Insert a Fr atom in the line between atoms at indices 12 and 24, and the inserted atom must be 2.26 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Zn4N24
_chemical_formula_sum "Zn4 N24"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Zn4N24Fr
_chemical_formula_sum "Zn4 N24 Fr1"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | ddfe696d-c34c-4a80-b499-87b5a9b3ef96 | mp-1228441 | Insert a Hg atom in the line between atoms at indices 27 and 37, and the inserted atom must be 1.50 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba7Hg32
_chemical_formula_sum "Ba7 Hg32"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 3cdd1eb8-f9fc-471a-a020-90553b2d452f | mp-6606 | Insert a Gd atom in the line between atoms at indices 3 and 11, and the inserted atom must be 0.66 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Sr2Y2Si8N14
_chemical_formula_sum "Sr2 Y2 Si8 N14"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_group_na... | data_image0
_chemical_formula_structural Sr2Y2Si8N14Gd
_chemical_formula_sum "Sr2 Y2 Si8 N14 Gd1"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_gr... |
InsertBetweenAtomsAction | aa4efa41-e567-483d-9a62-4ac391a9a151 | mp-1229042 | Insert a Au atom in the line between atoms at indices 28 and 32, and the inserted atom must be 2.82 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Al9Fe2Si4O24
_chemical_formula_sum "Al9 Fe2 Si4 O24"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_space_gro... | data_image0
_chemical_formula_structural Al9Fe2Si4O24Au
_chemical_formula_sum "Al9 Fe2 Si4 O24 Au1"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_spa... |
InsertBetweenAtomsAction | e8850944-e134-437b-87b7-34aea1e3134c | mp-1220380 | Insert a H atom in the line between atoms at indices 10 and 1, and the inserted atom must be 4.92 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Nd3NiSn7
_chemical_formula_sum "Nd3 Ni1 Sn7"
_cell_length_a 13.90377236
_cell_length_b 13.90377236
_cell_length_c 4.5517161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 161.25257191
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Nd3NiSn7H
_chemical_formula_sum "Nd3 Ni1 Sn7 H1"
_cell_length_a 13.90377236
_cell_length_b 13.90377236
_cell_length_c 4.5517161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 161.25257191
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 3a1b55ac-f718-4c60-b817-b1912aab5e59 | mp-2713601 | Insert a K atom in the line between atoms at indices 69 and 34, and the inserted atom must be 11.90 angstrom from atom at 69 in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Si8Sn4P4O48
_chemical_formula_sum "Na12 Zr4 Si8 Sn4 P4 O48"
_cell_length_a 15.80930235
_cell_length_b 9.12113413
_cell_length_c 9.16076048
_cell_angle_alpha 89.95736308
_cell_angle_beta 124.88498987999999
_cell_angle_gamma 90... | data_image0
_chemical_formula_structural Na12Zr4Si8Sn4P4O48K
_chemical_formula_sum "Na12 Zr4 Si8 Sn4 P4 O48 K1"
_cell_length_a 15.80930235
_cell_length_b 9.12113413
_cell_length_c 9.16076048
_cell_angle_alpha 89.95736308
_cell_angle_beta 124.88498987999999
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 0699ace8-44d2-4cba-9452-d545b54b95dc | mp-1218286 | Insert a Li atom in the line between atoms at indices 10 and 5, and the inserted atom must be 2.48 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural SrLa3Mn2Cr2O12
_chemical_formula_sum "Sr1 La3 Mn2 Cr2 O12"
_cell_length_a 5.46755873
_cell_length_b 7.985748690000001
_cell_length_c 5.541264629999999
_cell_angle_alpha 90.00051804
_cell_angle_beta 89.99987303999998
_cell_angle_gamma ... | data_image0
_chemical_formula_structural SrLa3Mn2Cr2O12Li
_chemical_formula_sum "Sr1 La3 Mn2 Cr2 O12 Li1"
_cell_length_a 5.46755873
_cell_length_b 7.985748690000001
_cell_length_c 5.541264629999999
_cell_angle_alpha 90.00051804
_cell_angle_beta 89.99987303999998
_cell_angle_g... |
InsertBetweenAtomsAction | 4c4109ba-7c9f-48f1-9883-a235dfbdec82 | mp-642735 | Insert a Ti atom in the line between atoms at indices 10 and 5, and the inserted atom must be 1.20 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 Rb4H8Pt2Ti
_chemical_formula_sum "Rb4 H8 Pt2 Ti1"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 | 9a1d68c9-7c4b-47c1-8114-432899ed985d | mp-1204112 | Insert a Ga atom in the line between atoms at indices 12 and 19, and the inserted atom must be 1.44 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12Ga
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12 Ga1"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
InsertBetweenAtomsAction | cbe5af04-d538-4770-969d-e5b15e4f38cc | mp-31273 | Insert a Am atom in the line between atoms at indices 1 and 4, and the inserted atom must be 3.40 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural La8Cu4S16
_chemical_formula_sum "La8 Cu4 S16"
_cell_length_a 7.57804436
_cell_length_b 7.7499303
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural La8Cu4S16Am
_chemical_formula_sum "La8 Cu4 S16 Am1"
_cell_length_a 7.57804436
_cell_length_b 7.7499303
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | fdcfa8b9-34bd-4ef3-9835-b47e8a3d301f | mp-759173 | Insert a Pa atom in the line between atoms at indices 2 and 8, and the inserted atom must be 0.34 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural LiV3O8
_chemical_formula_sum "Li1 V3 O8"
_cell_length_a 5.56596741
_cell_length_b 5.56596741
_cell_length_c 5.947745
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999295000002
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural LiV3O8Pa
_chemical_formula_sum "Li1 V3 O8 Pa1"
_cell_length_a 5.56596741
_cell_length_b 5.56596741
_cell_length_c 5.947745
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999295000002
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 27416cf7-1553-46bf-a0e0-ca2cbd6530d5 | mp-1521970 | Insert a V atom in the line between atoms at indices 36 and 2, and the inserted atom must be 1.78 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Sr4Ca4Eu4Bi4O24
_chemical_formula_sum "Sr4 Ca4 Eu4 Bi4 O24"
_cell_length_a 8.54600394
_cell_length_b 8.54462051
_cell_length_c 8.54397561
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Sr4Ca4Eu4Bi4O24V
_chemical_formula_sum "Sr4 Ca4 Eu4 Bi4 O24 V1"
_cell_length_a 8.54600394
_cell_length_b 8.54462051
_cell_length_c 8.54397561
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | 903897ee-ae45-458f-a5ab-c0f32147d6ed | mp-1239141 | Insert a Rh atom in the line between atoms at indices 12 and 18, and the inserted atom must be 4.83 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 12.195021
_cell_length_b 5.74575
_cell_length_c 8.92965446
_cell_angle_alpha 50.87768145
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16Rh
_chemical_formula_sum "Ta2 Cr6 Cu4 S16 Rh1"
_cell_length_a 12.195021
_cell_length_b 5.74575
_cell_length_c 8.92965446
_cell_angle_alpha 50.87768145
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 2b713f1c-3a24-4e3e-9394-7e074eb724da | mp-607917 | Insert a Mc atom in the line between atoms at indices 33 and 6, and the inserted atom must be 3.82 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural La21Fe8Sn7C12Mc
_chemical_formula_sum "La21 Fe8 Sn7 C12 Mc1"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gam... |
InsertBetweenAtomsAction | 85c1dde3-3520-408b-b4ef-0d0882c5d87e | mp-695887 | Insert a O atom in the line between atoms at indices 19 and 2, and the inserted atom must be 3.51 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural K3Cu2P4HO14
_chemical_formula_sum "K3 Cu2 P4 H1 O14"
_cell_length_a 5.26174534
_cell_length_b 5.52086112
_cell_length_c 12.69132558
_cell_angle_alpha 90.60332849
_cell_angle_beta 100.43952077
_cell_angle_gamma 117.17330493999998
_s... | data_image0
_chemical_formula_structural K3Cu2P4HO15
_chemical_formula_sum "K3 Cu2 P4 H1 O15"
_cell_length_a 5.26174534
_cell_length_b 5.52086112
_cell_length_c 12.69132558
_cell_angle_alpha 90.60332849
_cell_angle_beta 100.43952077
_cell_angle_gamma 117.17330493999998
_s... |
InsertBetweenAtomsAction | 748fc9f0-f5f9-4a1d-be49-efb05338e0e7 | mp-1245505 | Insert a Al atom in the line between atoms at indices 7 and 8, and the inserted atom must be 1.27 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mn4V2N6
_chemical_formula_sum "Mn4 V2 N6"
_cell_length_a 5.86989221
_cell_length_b 6.02094344
_cell_length_c 4.024515
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.85496952
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn4V2N6Al
_chemical_formula_sum "Mn4 V2 N6 Al1"
_cell_length_a 5.86989221
_cell_length_b 6.02094344
_cell_length_c 4.024515
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.85496952
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | ff3a045b-27a4-4926-89d3-01f5d7dbf023 | mp-541094 | Insert a Sb atom in the line between atoms at indices 34 and 29, and the inserted atom must be 2.31 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Ta4Hg6S2O8F20
_chemical_formula_sum "Ta4 Hg6 S2 O8 F20"
_cell_length_a 12.3091215
_cell_length_b 10.48936124
_cell_length_c 9.306227819999998
_cell_angle_alpha 76.63821534
_cell_angle_beta 56.00576460999999
_cell_angle_gamma 47.3560... | data_image0
_chemical_formula_structural Ta4Hg6S2O8F20Sb
_chemical_formula_sum "Ta4 Hg6 S2 O8 F20 Sb1"
_cell_length_a 12.3091215
_cell_length_b 10.48936124
_cell_length_c 9.306227819999998
_cell_angle_alpha 76.63821534
_cell_angle_beta 56.00576460999999
_cell_angle_gamma 4... |
InsertBetweenAtomsAction | d90f99d4-4759-495c-aed1-d51b4103879c | mp-1029952 | Insert a Ca atom in the line between atoms at indices 11 and 2, and the inserted atom must be 11.41 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.46013268
_cell_length_b 3.4601326799999996
_cell_length_c 39.261307
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001304
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te6Mo2W2S2Ca
_chemical_formula_sum "Te6 Mo2 W2 S2 Ca1"
_cell_length_a 3.46013268
_cell_length_b 3.4601326799999996
_cell_length_c 39.261307
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001304
_space_group_na... |
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