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 | 3aad435d-e740-4e70-9b21-605819b62723 | mp-766119 | Insert a S atom in the line between atoms at indices 8 and 11, and the inserted atom must be 1.22 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li8V8Si8O36
_chemical_formula_sum "Li8 V8 Si8 O36"
_cell_length_a 5.26542
_cell_length_b 8.415311
_cell_length_c 14.175306
_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 Li8V8Si8O36S
_chemical_formula_sum "Li8 V8 Si8 O36 S1"
_cell_length_a 5.26542
_cell_length_b 8.415311
_cell_length_c 14.175306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 7b8175f0-0cb7-4655-a4c2-e05598b82ec8 | mp-14926 | Insert a Tb atom in the line between atoms at indices 19 and 5, and the inserted atom must be 0.68 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Sr8Sc4F28
_chemical_formula_sum "Sr8 Sc4 F28"
_cell_length_a 12.19979834
_cell_length_b 5.42556548
_cell_length_c 8.2382499
_cell_angle_alpha 89.47662819
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sr8Sc4F28Tb
_chemical_formula_sum "Sr8 Sc4 F28 Tb1"
_cell_length_a 12.19979834
_cell_length_b 5.42556548
_cell_length_c 8.2382499
_cell_angle_alpha 89.47662819
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | b8c740f6-3740-4dd0-bf5b-41d1c491de78 | mp-759828 | Insert a P atom in the line between atoms at indices 23 and 25, and the inserted atom must be 0.40 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20P
_chemical_formula_sum "Li2 Mn2 V2 P5 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.9278... |
InsertBetweenAtomsAction | 0c8f0d0d-ed82-49f7-a059-8caaa8db5d4a | mp-2715503 | Insert a Pa atom in the line between atoms at indices 78 and 33, and the inserted atom must be 2.58 angstrom from atom at 78 in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48Pa
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48 Pa1"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0... |
InsertBetweenAtomsAction | d6eb4508-4381-47db-8629-14c755ad8409 | mp-1185821 | Insert a Lr atom in the line between atoms at indices 1 and 0, and the inserted atom must be 1.80 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mg16Ni8H32
_chemical_formula_sum "Mg16 Ni8 H32"
_cell_length_a 6.36824
_cell_length_b 6.455967
_cell_length_c 13.102415
_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 Mg16Ni8H32Lr
_chemical_formula_sum "Mg16 Ni8 H32 Lr1"
_cell_length_a 6.36824
_cell_length_b 6.455967
_cell_length_c 13.102415
_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 | 093217b9-3e56-4ee2-b28d-d78bc4ce61cd | mp-777622 | Insert a Fe atom in the line between atoms at indices 14 and 6, and the inserted atom must be 2.72 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Li4Fe4F12
_chemical_formula_sum "Li4 Fe4 F12"
_cell_length_a 5.272201
_cell_length_b 5.36776833
_cell_length_c 10.055078419999997
_cell_angle_alpha 95.35879639000001
_cell_angle_beta 100.39341786999998
_cell_angle_gamma 118.91149969... | data_image0
_chemical_formula_structural Li4Fe4F12Fe
_chemical_formula_sum "Li4 Fe5 F12"
_cell_length_a 5.272201
_cell_length_b 5.36776833
_cell_length_c 10.055078419999997
_cell_angle_alpha 95.35879639000001
_cell_angle_beta 100.39341786999998
_cell_angle_gamma 118.911499... |
InsertBetweenAtomsAction | b7a50b76-2c28-416a-81c1-73f469dd968c | mp-758495 | Insert a Sn atom in the line between atoms at indices 43 and 33, and the inserted atom must be 1.50 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural Li8Co8C8O28
_chemical_formula_sum "Li8 Co8 C8 O28"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li8Co8C8O28Sn
_chemical_formula_sum "Li8 Co8 C8 O28 Sn1"
_cell_length_a 6.246944
_cell_length_b 8.914788
_cell_length_c 10.60852576
_cell_angle_alpha 67.07172826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 8d090b68-e29d-4ad5-be9a-0bcecfdace71 | mp-1026788 | Insert a Fm atom in the line between atoms at indices 1 and 0, and the inserted atom must be 1.92 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural LaMg14Ga
_chemical_formula_sum "La1 Mg14 Ga1"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 10.3752619
_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 LaMg14GaFm
_chemical_formula_sum "La1 Mg14 Ga1 Fm1"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 10.3752619
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | a7d2820f-9591-4bde-8ec5-d67a4e18e781 | mp-1193800 | Insert a Xe atom in the line between atoms at indices 6 and 3, and the inserted atom must be 1.63 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Hf18Re8Se2
_chemical_formula_sum "Hf18 Re8 Se2"
_cell_length_a 8.65926571
_cell_length_b 8.65926571
_cell_length_c 8.616004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Hf18Re8Se2Xe
_chemical_formula_sum "Hf18 Re8 Se2 Xe1"
_cell_length_a 8.65926571
_cell_length_b 8.65926571
_cell_length_c 8.616004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 22f0854d-436b-41c6-a201-c42cc7922b16 | mp-1227353 | Insert a Ge atom in the line between atoms at indices 0 and 6, and the inserted atom must be 1.58 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ce4Ni2Sn4Pt2
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Ce4Ni2Sn4Pt2Ge
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2 Ge1"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 84755ff1-742c-42c6-8059-f1d9905e3060 | mp-752785 | Insert a Co atom in the line between atoms at indices 21 and 5, and the inserted atom must be 0.73 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Sm4U4O17
_chemical_formula_sum "Sm4 U4 O17"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4U4O17Co
_chemical_formula_sum "Sm4 U4 O17 Co1"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_nam... |
InsertBetweenAtomsAction | 183eeac5-527d-4816-ba34-fda251995315 | mp-754915 | Insert a Si atom in the line between atoms at indices 2 and 0, and the inserted atom must be 0.87 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Na2Fe2O6
_chemical_formula_sum "Na2 Fe2 O6"
_cell_length_a 5.0819733
_cell_length_b 5.081823
_cell_length_c 6.02608011
_cell_angle_alpha 65.06173316
_cell_angle_beta 89.99959398000001
_cell_angle_gamma 59.99876032
_space_group_name... | data_image0
_chemical_formula_structural Na2Fe2O6Si
_chemical_formula_sum "Na2 Fe2 O6 Si1"
_cell_length_a 5.0819733
_cell_length_b 5.081823
_cell_length_c 6.02608011
_cell_angle_alpha 65.06173316
_cell_angle_beta 89.99959398000001
_cell_angle_gamma 59.99876032
_space_grou... |
InsertBetweenAtomsAction | 03d77fe4-2f35-4e39-a9ef-9ad503ec07ec | mp-1218036 | Insert a N atom in the line between atoms at indices 6 and 5, and the inserted atom must be 0.99 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ta8VC4S8
_chemical_formula_sum "Ta8 V1 C4 S8"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space_group... | data_image0
_chemical_formula_structural Ta8VC4S8N
_chemical_formula_sum "Ta8 V1 C4 S8 N1"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space_g... |
InsertBetweenAtomsAction | e6aed95b-a072-4dd4-990a-1c08e94fbe42 | mp-686085 | Insert a Sb atom in the line between atoms at indices 3 and 12, and the inserted atom must be 18.29 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Sc13Cu13O33
_chemical_formula_sum "Sc13 Cu13 O33"
_cell_length_a 5.96404422
_cell_length_b 5.96404422
_cell_length_c 36.25867887
_cell_angle_alpha 87.86782069
_cell_angle_beta 87.86782069
_cell_angle_gamma 33.365060500000006
_space... | data_image0
_chemical_formula_structural Sc13Cu13O33Sb
_chemical_formula_sum "Sc13 Cu13 O33 Sb1"
_cell_length_a 5.96404422
_cell_length_b 5.96404422
_cell_length_c 36.25867887
_cell_angle_alpha 87.86782069
_cell_angle_beta 87.86782069
_cell_angle_gamma 33.365060500000006
... |
InsertBetweenAtomsAction | c61e122b-ceea-4509-80fe-735343f2f998 | mp-14734 | Insert a Be atom in the line between atoms at indices 1 and 7, and the inserted atom must be 1.73 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Cs4C4O4F12
_chemical_formula_sum "Cs4 C4 O4 F12"
_cell_length_a 7.69891576
_cell_length_b 5.90645137
_cell_length_c 9.42489971
_cell_angle_alpha 89.27446189
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4C4O4F12Be
_chemical_formula_sum "Cs4 C4 O4 F12 Be1"
_cell_length_a 7.69891576
_cell_length_b 5.90645137
_cell_length_c 9.42489971
_cell_angle_alpha 89.27446189
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | e212b1ad-64b3-4693-9548-3462dbcd55d2 | mp-755663 | Insert a Na atom in the line between atoms at indices 10 and 14, and the inserted atom must be 3.42 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ta4Pb4O14Na
_chemical_formula_sum "Ta4 Pb4 O14 Na1"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_... |
InsertBetweenAtomsAction | 71b41a83-5a09-41e2-af1e-6b10ff0431eb | mp-21683 | Insert a Zr atom in the line between atoms at indices 10 and 0, and the inserted atom must be 5.10 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural In2Ni21P6
_chemical_formula_sum "In2 Ni21 P6"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
_space... | data_image0
_chemical_formula_structural In2Ni21P6Zr
_chemical_formula_sum "In2 Ni21 P6 Zr1"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
... |
InsertBetweenAtomsAction | 54f80fe3-4851-49ee-bbaf-f472f08a14ba | mp-1196179 | Insert a Sr atom in the line between atoms at indices 6 and 47, and the inserted atom must be 3.90 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Tm16Cr8S32
_chemical_formula_sum "Tm16 Cr8 S32"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_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 Tm16Cr8S32Sr
_chemical_formula_sum "Tm16 Cr8 S32 Sr1"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 351869f4-9c63-40b8-bf83-7d7cd4af3807 | mp-1221008 | Insert a B atom in the line between atoms at indices 45 and 66, and the inserted atom must be 1.77 angstrom from atom at 45 in the cif file. | data_image0
_chemical_formula_structural Nd9Ni24Sn49
_chemical_formula_sum "Nd9 Ni24 Sn49"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
_space_grou... | data_image0
_chemical_formula_structural Nd9Ni24Sn49B
_chemical_formula_sum "Nd9 Ni24 Sn49 B1"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
_space_... |
InsertBetweenAtomsAction | 4a1c8b3c-d332-45cd-a3c5-e7481ee71f55 | mp-1182799 | Insert a W atom in the line between atoms at indices 24 and 2, and the inserted atom must be 2.64 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Ca4Si4H8O16
_chemical_formula_sum "Ca4 Si4 H8 O16"
_cell_length_a 11.8266484
_cell_length_b 9.86852666
_cell_length_c 15.19174507
_cell_angle_alpha 51.09540739000001
_cell_angle_beta 40.49250019
_cell_angle_gamma 88.41209242000001
... | data_image0
_chemical_formula_structural Ca4Si4H8O16W
_chemical_formula_sum "Ca4 Si4 H8 O16 W1"
_cell_length_a 11.8266484
_cell_length_b 9.86852666
_cell_length_c 15.19174507
_cell_angle_alpha 51.09540739000001
_cell_angle_beta 40.49250019
_cell_angle_gamma 88.412092420000... |
InsertBetweenAtomsAction | 4c2403e9-fac8-42e5-aa35-59e604de8781 | mp-1027815 | Insert a Mg atom in the line between atoms at indices 6 and 1, and the inserted atom must be 4.05 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg14CoMg
_chemical_formula_sum "K1 Mg15 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 914bc2e9-88c6-4b11-a7a5-386e64f87a0b | mp-8762 | Insert a Cl atom in the line between atoms at indices 14 and 18, and the inserted atom must be 4.08 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er8S8O4Cl
_chemical_formula_sum "Er8 S8 O4 Cl1"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | c5a3abc2-e689-435b-b21e-ecbddc3b4242 | mp-1188640 | Insert a Yb atom in the line between atoms at indices 16 and 8, and the inserted atom must be 2.62 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Zr10Sn6As2
_chemical_formula_sum "Zr10 Sn6 As2"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Zr10Sn6As2Yb
_chemical_formula_sum "Zr10 Sn6 As2 Yb1"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_name... |
InsertBetweenAtomsAction | 92f27360-67a5-4bbd-ab0e-054b744d4b46 | mp-887412 | Insert a Mn atom in the line between atoms at indices 66 and 13, and the inserted atom must be 2.46 angstrom from atom at 66 in the cif file. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
_spac... | data_image0
_chemical_formula_structural Li12Mn2V6P12O48Mn
_chemical_formula_sum "Li12 Mn3 V6 P12 O48"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
_sp... |
InsertBetweenAtomsAction | 13d0a8f8-07d7-4253-842d-468b2ef4da5d | mp-1199467 | Insert a Hg atom in the line between atoms at indices 5 and 31, and the inserted atom must be 2.72 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Lu20Ge16
_chemical_formula_sum "Lu20 Ge16"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_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 Lu20Ge16Hg
_chemical_formula_sum "Lu20 Ge16 Hg1"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 660a7099-bc48-465a-89c3-07300ef6ca34 | mp-973966 | Insert a Li atom in the line between atoms at indices 2 and 11, and the inserted atom must be 0.95 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural LiInI4O12
_chemical_formula_sum "Li1 In1 I4 O12"
_cell_length_a 4.978049
_cell_length_b 6.59234209
_cell_length_c 8.69573854
_cell_angle_alpha 84.86997898999999
_cell_angle_beta 89.19318945
_cell_angle_gamma 89.32749808
_space_grou... | data_image0
_chemical_formula_structural LiInI4O12Li
_chemical_formula_sum "Li2 In1 I4 O12"
_cell_length_a 4.978049
_cell_length_b 6.59234209
_cell_length_c 8.69573854
_cell_angle_alpha 84.86997898999999
_cell_angle_beta 89.19318945
_cell_angle_gamma 89.32749808
_space_gr... |
InsertBetweenAtomsAction | cbe40b72-1f6e-46cb-955f-f33c3f600199 | mp-1032871 | Insert a Ag atom in the line between atoms at indices 8 and 3, and the inserted atom must be 0.82 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural HfMg6AlO8
_chemical_formula_sum "Hf1 Mg6 Al1 O8"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_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 HfMg6AlO8Ag
_chemical_formula_sum "Hf1 Mg6 Al1 O8 Ag1"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | dc52412f-8ba2-493c-8e87-a523cda8ccba | mp-2215839 | Insert a Np atom in the line between atoms at indices 1 and 0, and the inserted atom must be 0.76 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Sr2MgZrCrO6
_chemical_formula_sum "Sr2 Mg1 Zr1 Cr1 O6"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133378999... | data_image0
_chemical_formula_structural Sr2MgZrCrO6Np
_chemical_formula_sum "Sr2 Mg1 Zr1 Cr1 O6 Np1"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133... |
InsertBetweenAtomsAction | eb94a743-c0af-486a-81de-3de27d3b18a5 | mp-763659 | Insert a Rg atom in the line between atoms at indices 8 and 7, and the inserted atom must be 3.38 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li3V2Fe2O8
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_spac... | data_image0
_chemical_formula_structural Li3V2Fe2O8Rg
_chemical_formula_sum "Li3 V2 Fe2 O8 Rg1"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
... |
InsertBetweenAtomsAction | 591b9c99-5f09-40c4-a8c2-02301defe6ca | mp-1227077 | Insert a Am atom in the line between atoms at indices 9 and 2, and the inserted atom must be 2.14 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Cd43Pd8
_chemical_formula_sum "Cd43 Pd8"
_cell_length_a 10.05017333
_cell_length_b 10.050173330000002
_cell_length_c 10.05017369
_cell_angle_alpha 90.10168299999998
_cell_angle_beta 90.10168299999998
_cell_angle_gamma 90.10168413000... | data_image0
_chemical_formula_structural Cd43Pd8Am
_chemical_formula_sum "Cd43 Pd8 Am1"
_cell_length_a 10.05017333
_cell_length_b 10.050173330000002
_cell_length_c 10.05017369
_cell_angle_alpha 90.10168299999998
_cell_angle_beta 90.10168299999998
_cell_angle_gamma 90.10168... |
InsertBetweenAtomsAction | b0ba532b-8e9a-48ea-9a2c-0636f5ac6fae | mp-1229311 | Insert a Cm atom in the line between atoms at indices 46 and 57, and the inserted atom must be 1.80 angstrom from atom at 46 in the cif file. | data_image0
_chemical_formula_structural Ag5Sb23Pb12S48
_chemical_formula_sum "Ag5 Sb23 Pb12 S48"
_cell_length_a 8.695419
_cell_length_b 13.29602981
_cell_length_c 19.62485344
_cell_angle_alpha 90.29708353
_cell_angle_beta 90.02236377
_cell_angle_gamma 90.18961982
_space_... | data_image0
_chemical_formula_structural Ag5Sb23Pb12S48Cm
_chemical_formula_sum "Ag5 Sb23 Pb12 S48 Cm1"
_cell_length_a 8.695419
_cell_length_b 13.29602981
_cell_length_c 19.62485344
_cell_angle_alpha 90.29708353
_cell_angle_beta 90.02236377
_cell_angle_gamma 90.18961982
_... |
InsertBetweenAtomsAction | 673beccd-c1c3-4bd2-9190-d88bc1e832d8 | mp-1173734 | Insert a Ce atom in the line between atoms at indices 23 and 28, and the inserted atom must be 0.41 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural NaCa3Fe4Si8O24
_chemical_formula_sum "Na1 Ca3 Fe4 Si8 O24"
_cell_length_a 7.70031409
_cell_length_b 7.700314089999999
_cell_length_c 9.98506993
_cell_angle_alpha 62.79150036
_cell_angle_beta 62.79150036
_cell_angle_gamma 72.03905514... | data_image0
_chemical_formula_structural NaCa3Fe4Si8O24Ce
_chemical_formula_sum "Na1 Ca3 Fe4 Si8 O24 Ce1"
_cell_length_a 7.70031409
_cell_length_b 7.700314089999999
_cell_length_c 9.98506993
_cell_angle_alpha 62.79150036
_cell_angle_beta 62.79150036
_cell_angle_gamma 72.03... |
InsertBetweenAtomsAction | fefdf480-3682-4738-bc01-8dcc998cca0f | mp-1182238 | Insert a Sg atom in the line between atoms at indices 22 and 13, and the inserted atom must be 1.47 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Ba8O16
_chemical_formula_sum "Ba8 O16"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba8O16Sg
_chemical_formula_sum "Ba8 O16 Sg1"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | bf0391dd-1275-4f4f-9eb0-2fbdec4a201e | mp-15539 | Insert a Ho atom in the line between atoms at indices 46 and 75, and the inserted atom must be 11.89 angstrom from atom at 46 in the cif file. | data_image0
_chemical_formula_structural Ca4Mn8Be12Si12O48
_chemical_formula_sum "Ca4 Mn8 Be12 Si12 O48"
_cell_length_a 7.691233
_cell_length_b 8.175307
_cell_length_c 16.38163346
_cell_angle_alpha 60.03639652
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ca4Mn8Be12Si12O48Ho
_chemical_formula_sum "Ca4 Mn8 Be12 Si12 O48 Ho1"
_cell_length_a 7.691233
_cell_length_b 8.175307
_cell_length_c 16.38163346
_cell_angle_alpha 60.03639652
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
InsertBetweenAtomsAction | 646a36f8-b0d5-48b7-a7ea-4c52e4b0f75f | mp-5996 | Insert a Pu atom in the line between atoms at indices 22 and 8, and the inserted atom must be 2.29 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Na8Ti8Si8O36
_chemical_formula_sum "Na8 Ti8 Si8 O36"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 14.734708
_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 Na8Ti8Si8O36Pu
_chemical_formula_sum "Na8 Ti8 Si8 O36 Pu1"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 14.734708
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 2b394c7c-40be-45c1-ad9e-297816c48520 | mp-510 | Insert a C atom in the line between atoms at indices 41 and 31, and the inserted atom must be 1.34 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural Ta16O32
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_group_... | data_image0
_chemical_formula_structural Ta16O32C
_chemical_formula_sum "Ta16 O32 C1"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_gr... |
InsertBetweenAtomsAction | 1274aede-38d6-48e2-a7fb-f10a4b021536 | mp-1200475 | Insert a Mo atom in the line between atoms at indices 2 and 45, and the inserted atom must be 3.41 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural U2B16O34
_chemical_formula_sum "U2 B16 O34"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_space_grou... | data_image0
_chemical_formula_structural U2B16O34Mo
_chemical_formula_sum "U2 B16 O34 Mo1"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_spac... |
InsertBetweenAtomsAction | ee961172-7090-446a-b824-03e475395380 | mp-1103787 | Insert a Cl atom in the line between atoms at indices 7 and 0, and the inserted atom must be 0.38 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Si7Ni4Au2
_chemical_formula_sum "Si7 Ni4 Au2"
_cell_length_a 6.65277734
_cell_length_b 6.65277734
_cell_length_c 7.943236350000001
_cell_angle_alpha 70.83827778000001
_cell_angle_beta 70.83827778000001
_cell_angle_gamma 32.802062200... | data_image0
_chemical_formula_structural Si7Ni4Au2Cl
_chemical_formula_sum "Si7 Ni4 Au2 Cl1"
_cell_length_a 6.65277734
_cell_length_b 6.65277734
_cell_length_c 7.943236350000001
_cell_angle_alpha 70.83827778000001
_cell_angle_beta 70.83827778000001
_cell_angle_gamma 32.802... |
InsertBetweenAtomsAction | 76c9eb0c-83d1-4941-b556-865352089f01 | mp-1110608 | Insert a K atom in the line between atoms at indices 8 and 0, and the inserted atom must be 4.09 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Rb2InAgF6
_chemical_formula_sum "Rb2 In1 Ag1 F6"
_cell_length_a 6.4396356
_cell_length_b 6.4396356
_cell_length_c 6.4396356
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Rb2InAgF6K
_chemical_formula_sum "Rb2 In1 Ag1 F6 K1"
_cell_length_a 6.4396356
_cell_length_b 6.4396356
_cell_length_c 6.4396356
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
InsertBetweenAtomsAction | 7fc7592f-7c54-4c0d-b06e-5edde0cee03d | mp-1026829 | Insert a Ra atom in the line between atoms at indices 9 and 10, and the inserted atom must be 1.08 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural KMg14Cd
_chemical_formula_sum "K1 Mg14 Cd1"
_cell_length_a 6.52194849
_cell_length_b 6.51423648
_cell_length_c 10.5695114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96089757
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural KMg14CdRa
_chemical_formula_sum "K1 Mg14 Cd1 Ra1"
_cell_length_a 6.52194849
_cell_length_b 6.51423648
_cell_length_c 10.5695114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96089757
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | d9d2e6fe-fea0-4031-873f-d968fadaef0b | mp-21787 | Insert a Er atom in the line between atoms at indices 1 and 42, and the inserted atom must be 2.39 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural O36Eu16Au8
_chemical_formula_sum "O36 Eu16 Au8"
_cell_length_a 6.18138765
_cell_length_b 11.94098349
_cell_length_c 11.99598676
_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 O36Eu16Au8Er
_chemical_formula_sum "O36 Eu16 Au8 Er1"
_cell_length_a 6.18138765
_cell_length_b 11.94098349
_cell_length_c 11.99598676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | fea78d1e-5c7d-43b0-bff6-6d315a3e00a6 | mp-1233843 | Insert a Rn atom in the line between atoms at indices 1 and 16, and the inserted atom must be 5.11 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural MgCo6O2F10
_chemical_formula_sum "Mg1 Co6 O2 F10"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_space_... | data_image0
_chemical_formula_structural MgCo6O2F10Rn
_chemical_formula_sum "Mg1 Co6 O2 F10 Rn1"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_... |
InsertBetweenAtomsAction | e9f6b897-aacb-4589-819a-bf5c226a97a0 | mp-1192109 | Insert a Cd atom in the line between atoms at indices 5 and 19, and the inserted atom must be 3.46 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural K2H4PdN4O10
_chemical_formula_sum "K2 H4 Pd1 N4 O10"
_cell_length_a 6.96838542
_cell_length_b 7.225418650000001
_cell_length_c 7.49708956
_cell_angle_alpha 116.74948873
_cell_angle_beta 104.81718331
_cell_angle_gamma 97.848627799999... | data_image0
_chemical_formula_structural K2H4PdN4O10Cd
_chemical_formula_sum "K2 H4 Pd1 N4 O10 Cd1"
_cell_length_a 6.96838542
_cell_length_b 7.225418650000001
_cell_length_c 7.49708956
_cell_angle_alpha 116.74948873
_cell_angle_beta 104.81718331
_cell_angle_gamma 97.848627... |
InsertBetweenAtomsAction | 81bcf29d-1693-44fc-a4e8-f23fee666b52 | mp-18245 | Insert a Pd atom in the line between atoms at indices 19 and 17, and the inserted atom must be 1.77 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Na4Co4P4O16
_chemical_formula_sum "Na4 Co4 P4 O16"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_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 Na4Co4P4O16Pd
_chemical_formula_sum "Na4 Co4 P4 O16 Pd1"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 9165ac80-6376-402d-a39d-8a53b4d63fed | mp-1191086 | Insert a Mn atom in the line between atoms at indices 17 and 5, and the inserted atom must be 3.61 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7Mn
_chemical_formula_sum "Nd2 Mn4 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H... |
InsertBetweenAtomsAction | fa8a5f04-1758-41ee-bed0-2d2324ceaada | mp-758497 | Insert a Ne atom in the line between atoms at indices 8 and 6, and the inserted atom must be 2.32 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li4Cu4P4O16
_chemical_formula_sum "Li4 Cu4 P4 O16"
_cell_length_a 5.773734
_cell_length_b 6.11628915
_cell_length_c 9.23422936
_cell_angle_alpha 76.39650355
_cell_angle_beta 79.36723015
_cell_angle_gamma 78.10091352
_space_group_na... | data_image0
_chemical_formula_structural Li4Cu4P4O16Ne
_chemical_formula_sum "Li4 Cu4 P4 O16 Ne1"
_cell_length_a 5.773734
_cell_length_b 6.11628915
_cell_length_c 9.23422936
_cell_angle_alpha 76.39650355
_cell_angle_beta 79.36723015
_cell_angle_gamma 78.10091352
_space_gr... |
InsertBetweenAtomsAction | 930f9bd3-f5ac-4d91-a299-b2eba201094b | mp-1102486 | Insert a Tc atom in the line between atoms at indices 2 and 8, and the inserted atom must be 2.93 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Sm2P2O8
_chemical_formula_sum "Sm2 P2 O8"
_cell_length_a 5.83727174
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma 116.51870327
_space_... | data_image0
_chemical_formula_structural Sm2P2O8Tc
_chemical_formula_sum "Sm2 P2 O8 Tc1"
_cell_length_a 5.83727174
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma 116.51870327
_... |
InsertBetweenAtomsAction | 91dde28b-5ae6-46c4-be24-5c57cfcab8a7 | mp-676501 | Insert a Po atom in the line between atoms at indices 40 and 38, and the inserted atom must be 1.68 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural K6Sn4S6Br2O24
_chemical_formula_sum "K6 Sn4 S6 Br2 O24"
_cell_length_a 7.606706
_cell_length_b 10.424619
_cell_length_c 10.46138684
_cell_angle_alpha 60.722412909999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural K6Sn4S6Br2O24Po
_chemical_formula_sum "K6 Sn4 S6 Br2 O24 Po1"
_cell_length_a 7.606706
_cell_length_b 10.424619
_cell_length_c 10.46138684
_cell_angle_alpha 60.722412909999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
InsertBetweenAtomsAction | 28d55da7-3d77-4d2a-8b5d-a1735d8b7864 | mp-850998 | Insert a Mc atom in the line between atoms at indices 9 and 31, and the inserted atom must be 0.44 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li4Mn6B6O18
_chemical_formula_sum "Li4 Mn6 B6 O18"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.55685340999999
_... | data_image0
_chemical_formula_structural Li4Mn6B6O18Mc
_chemical_formula_sum "Li4 Mn6 B6 O18 Mc1"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.55685340999... |
InsertBetweenAtomsAction | 973797ba-2363-4f7b-bcb9-441d6f6f746a | mp-531661 | Insert a No atom in the line between atoms at indices 22 and 33, and the inserted atom must be 6.32 angstrom from atom at 22 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 Nd10Ti12O39No
_chemical_formula_sum "Nd10 Ti12 O39 No1"
_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 | ed256491-3870-41c5-ae5a-dae7905b2202 | mp-777349 | Insert a Kr atom in the line between atoms at indices 9 and 0, and the inserted atom must be 2.10 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... | data_image0
_chemical_formula_structural Mn6O6F6Kr
_chemical_formula_sum "Mn6 O6 F6 Kr1"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_spac... |
InsertBetweenAtomsAction | 7df94d5a-9cd2-40e5-8995-15d82e3984d2 | mp-25275 | Insert a Y atom in the line between atoms at indices 8 and 1, and the inserted atom must be 1.00 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Mn4O8
_chemical_formula_sum "Mn4 O8"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_name_H-... | data_image0
_chemical_formula_structural Mn4O8Y
_chemical_formula_sum "Mn4 O8 Y1"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_nam... |
InsertBetweenAtomsAction | 138230f9-b353-4373-9d2b-1a10f50082e4 | mp-38347 | Insert a Sg atom in the line between atoms at indices 15 and 17, and the inserted atom must be 3.48 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Ca2Pr16Se24
_chemical_formula_sum "Ca2 Pr16 Se24"
_cell_length_a 9.01322339
_cell_length_b 9.013223390000002
_cell_length_c 14.9179562
_cell_angle_alpha 72.45496723
_cell_angle_beta 72.45496723
_cell_angle_gamma 90.0395558
_space_g... | data_image0
_chemical_formula_structural Ca2Pr16Se24Sg
_chemical_formula_sum "Ca2 Pr16 Se24 Sg1"
_cell_length_a 9.01322339
_cell_length_b 9.013223390000002
_cell_length_c 14.9179562
_cell_angle_alpha 72.45496723
_cell_angle_beta 72.45496723
_cell_angle_gamma 90.0395558
_s... |
InsertBetweenAtomsAction | cb8d3246-6559-4945-b81d-cc0406797565 | mp-1027965 | Insert a Sm atom in the line between atoms at indices 1 and 14, and the inserted atom must be 1.01 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural YMg14GaSm
_chemical_formula_sum "Y1 Mg14 Ga1 Sm1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H... |
InsertBetweenAtomsAction | e9304429-e410-4d7d-9b7d-71502742888d | mp-1045861 | Insert a Pt atom in the line between atoms at indices 20 and 13, and the inserted atom must be 2.84 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Ca2Mn9O13
_chemical_formula_sum "Ca2 Mn9 O13"
_cell_length_a 5.43810899
_cell_length_b 5.43810899
_cell_length_c 17.17977876
_cell_angle_alpha 81.35035052
_cell_angle_beta 81.35035052
_cell_angle_gamma 33.81424450000001
_space_grou... | data_image0
_chemical_formula_structural Ca2Mn9O13Pt
_chemical_formula_sum "Ca2 Mn9 O13 Pt1"
_cell_length_a 5.43810899
_cell_length_b 5.43810899
_cell_length_c 17.17977876
_cell_angle_alpha 81.35035052
_cell_angle_beta 81.35035052
_cell_angle_gamma 33.81424450000001
_spac... |
InsertBetweenAtomsAction | c0cc565c-0f4c-44e3-abe0-14f412e40c5f | mp-1175749 | Insert a H atom in the line between atoms at indices 20 and 7, and the inserted atom must be 7.38 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16547318... | data_image0
_chemical_formula_structural Li9Mn2Co5O16H
_chemical_formula_sum "Li9 Mn2 Co5 O16 H1"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.1654... |
InsertBetweenAtomsAction | c0cad9a5-a44b-44f8-8350-da13a62c6998 | mp-1229052 | Insert a Y atom in the line between atoms at indices 14 and 19, and the inserted atom must be 1.20 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Al41V4
_chemical_formula_sum "Al41 V4"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_space_gr... | data_image0
_chemical_formula_structural Al41V4Y
_chemical_formula_sum "Al41 V4 Y1"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_spac... |
InsertBetweenAtomsAction | 62845c8a-82f1-42ad-b6dc-1f8a0841492c | mp-1174080 | Insert a Sg atom in the line between atoms at indices 3 and 4, and the inserted atom must be 2.94 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li4MnCo3O8
_chemical_formula_sum "Li4 Mn1 Co3 O8"
_cell_length_a 9.86198462
_cell_length_b 9.86198462
_cell_length_c 5.10375864
_cell_angle_alpha 83.85536122000002
_cell_angle_beta 83.85536122000002
_cell_angle_gamma 16.960982359999... | data_image0
_chemical_formula_structural Li4MnCo3O8Sg
_chemical_formula_sum "Li4 Mn1 Co3 O8 Sg1"
_cell_length_a 9.86198462
_cell_length_b 9.86198462
_cell_length_c 5.10375864
_cell_angle_alpha 83.85536122000002
_cell_angle_beta 83.85536122000002
_cell_angle_gamma 16.960982... |
InsertBetweenAtomsAction | 5a407206-76ef-418f-af69-e4cb4948f11a | mp-1030101 | Insert a Mo atom in the line between atoms at indices 6 and 10, and the inserted atom must be 1.41 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Te4MoW3Se4
_chemical_formula_sum "Te4 Mo1 W3 Se4"
_cell_length_a 3.43778909
_cell_length_b 3.43778909
_cell_length_c 39.166563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00002099000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te4MoW3Se4Mo
_chemical_formula_sum "Te4 Mo2 W3 Se4"
_cell_length_a 3.43778909
_cell_length_b 3.43778909
_cell_length_c 39.166563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00002099000001
_space_group_name_H-... |
InsertBetweenAtomsAction | 4e5dfe11-96e9-431c-ac00-1544779be5c2 | mp-1194859 | Insert a Be atom in the line between atoms at indices 37 and 2, and the inserted atom must be 1.21 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural Al4V4Te8O32
_chemical_formula_sum "Al4 V4 Te8 O32"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Al4V4Te8O32Be
_chemical_formula_sum "Al4 V4 Te8 O32 Be1"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 239d19ae-44a4-4603-a814-35478cd6a7aa | mp-18561 | Insert a Ho atom in the line between atoms at indices 12 and 5, and the inserted atom must be 5.44 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ga4As2Rh10
_chemical_formula_sum "Ga4 As2 Rh10"
_cell_length_a 4.01954392
_cell_length_b 5.46160756
_cell_length_c 10.19616715
_cell_angle_alpha 89.98949256000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ga4As2Rh10Ho
_chemical_formula_sum "Ga4 As2 Rh10 Ho1"
_cell_length_a 4.01954392
_cell_length_b 5.46160756
_cell_length_c 10.19616715
_cell_angle_alpha 89.98949256000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | 1ecffba1-9ee3-4580-bb62-247bed07f54f | mp-1208667 | Insert a At atom in the line between atoms at indices 0 and 6, and the inserted atom must be 3.87 angstrom from atom at 0 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 Sr2C4O10At
_chemical_formula_sum "Sr2 C4 O10 At1"
_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 | 3d6a9e7e-1962-4803-8970-182f6698753e | mp-774827 | Insert a Ti atom in the line between atoms at indices 2 and 15, and the inserted atom must be 0.71 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Li4V2CrTeO12
_chemical_formula_sum "Li4 V2 Cr1 Te1 O12"
_cell_length_a 5.06248
_cell_length_b 5.32188995
_cell_length_c 7.32971655
_cell_angle_alpha 86.10822233999998
_cell_angle_beta 89.72000477
_cell_angle_gamma 89.92189222000002
... | data_image0
_chemical_formula_structural Li4V2CrTeO12Ti
_chemical_formula_sum "Li4 V2 Cr1 Te1 O12 Ti1"
_cell_length_a 5.06248
_cell_length_b 5.32188995
_cell_length_c 7.32971655
_cell_angle_alpha 86.10822233999998
_cell_angle_beta 89.72000477
_cell_angle_gamma 89.921892220... |
InsertBetweenAtomsAction | 949bf14d-5227-4ccf-9011-2b7535585306 | mp-757418 | Insert a Am atom in the line between atoms at indices 28 and 41, and the inserted atom must be 2.23 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural KTi16O32
_chemical_formula_sum "K1 Ti16 O32"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_space_grou... | data_image0
_chemical_formula_structural KTi16O32Am
_chemical_formula_sum "K1 Ti16 O32 Am1"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_spac... |
InsertBetweenAtomsAction | dfd8315f-41c6-4d86-a566-a773021349e2 | mp-1213886 | Insert a C atom in the line between atoms at indices 26 and 19, and the inserted atom must be 5.15 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Ce8Tl8F40
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ce8Tl8F40C
_chemical_formula_sum "Ce8 Tl8 F40 C1"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-... |
InsertBetweenAtomsAction | beae0d82-f8ff-47fb-9cc8-42a36d08c849 | mp-1027998 | Insert a Zn atom in the line between atoms at indices 9 and 7, and the inserted atom must be 1.08 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Mg14ZnCu
_chemical_formula_sum "Mg14 Zn1 Cu1"
_cell_length_a 6.24905681
_cell_length_b 6.24905632
_cell_length_c 9.97630643
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000255999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg14ZnCuZn
_chemical_formula_sum "Mg14 Zn2 Cu1"
_cell_length_a 6.24905681
_cell_length_b 6.24905632
_cell_length_c 9.97630643
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000255999998
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 68a040d1-cca4-4ab4-b7ed-df62051790ff | mp-1209256 | Insert a Pt atom in the line between atoms at indices 11 and 2, and the inserted atom must be 0.55 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Sr2GdTaCu2O8
_chemical_formula_sum "Sr2 Gd1 Ta1 Cu2 O8"
_cell_length_a 3.935051
_cell_length_b 3.935051
_cell_length_c 11.73933
_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 Sr2GdTaCu2O8Pt
_chemical_formula_sum "Sr2 Gd1 Ta1 Cu2 O8 Pt1"
_cell_length_a 3.935051
_cell_length_b 3.935051
_cell_length_c 11.73933
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 463c1948-a0cc-48af-9ab6-42ac82068e98 | mp-1023289 | Insert a Ru atom in the line between atoms at indices 13 and 3, and the inserted atom must be 1.54 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Mg12Al2W2
_chemical_formula_sum "Mg12 Al2 W2"
_cell_length_a 4.961791
_cell_length_b 5.848886
_cell_length_c 10.827339
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Mg12Al2W2Ru
_chemical_formula_sum "Mg12 Al2 W2 Ru1"
_cell_length_a 4.961791
_cell_length_b 5.848886
_cell_length_c 10.827339
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | 4c4e6b53-453f-4a0b-8b09-68a5051cb505 | mp-1029743 | Insert a I atom in the line between atoms at indices 62 and 44, and the inserted atom must be 4.31 angstrom from atom at 62 in the cif file. | data_image0
_chemical_formula_structural Ba16Ge16N32
_chemical_formula_sum "Ba16 Ge16 N32"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_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 Ba16Ge16N32I
_chemical_formula_sum "Ba16 Ge16 N32 I1"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 630b9765-f90e-469f-a2ff-4d6853a7e53c | mp-796259 | Insert a Lu atom in the line between atoms at indices 5 and 4, and the inserted atom must be 2.98 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Fe4O8
_chemical_formula_sum "Fe4 O8"
_cell_length_a 3.036458
_cell_length_b 4.652907
_cell_length_c 9.475864
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_num... | data_image0
_chemical_formula_structural Fe4O8Lu
_chemical_formula_sum "Fe4 O8 Lu1"
_cell_length_a 3.036458
_cell_length_b 4.652907
_cell_length_c 9.475864
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... |
InsertBetweenAtomsAction | 43641e97-274d-44e7-9868-cc89c1cb1f6c | mp-2747986 | Insert a Sg atom in the line between atoms at indices 11 and 13, and the inserted atom must be 1.24 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Cs2U4O12
_chemical_formula_sum "Cs2 U4 O12"
_cell_length_a 7.91228418
_cell_length_b 7.91201927
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_cell_angle_gamma 60.41923994999999
_space_group_n... | data_image0
_chemical_formula_structural Cs2U4O12Sg
_chemical_formula_sum "Cs2 U4 O12 Sg1"
_cell_length_a 7.91228418
_cell_length_b 7.91201927
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_cell_angle_gamma 60.41923994999999
_space_g... |
InsertBetweenAtomsAction | 78778c8d-ffd9-4ab2-a3f9-581a9e7bb8c8 | mp-779526 | Insert a Mn atom in the line between atoms at indices 6 and 29, and the inserted atom must be 0.97 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Fe10O14F6
_chemical_formula_sum "Fe10 O14 F6"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.42331972
_sp... | data_image0
_chemical_formula_structural Fe10O14F6Mn
_chemical_formula_sum "Fe10 O14 F6 Mn1"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.4233197... |
InsertBetweenAtomsAction | 738dae71-78b9-4ab9-bc3e-6c60989e41a5 | mp-35143 | Insert a Nh atom in the line between atoms at indices 4 and 9, and the inserted atom must be 3.75 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S6Nh
_chemical_formula_sum "Ba2 Nb2 S6 Nh1"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M... |
InsertBetweenAtomsAction | 86c1266b-31b7-49d2-8c14-9c0c1fbfc6f8 | mp-758815 | Insert a Sm atom in the line between atoms at indices 7 and 68, and the inserted atom must be 1.97 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li8Mn4P16O48
_chemical_formula_sum "Li8 Mn4 P16 O48"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Mn4P16O48Sm
_chemical_formula_sum "Li8 Mn4 P16 O48 Sm1"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | 1734cd7e-a40e-4b26-8daf-490db0337e12 | mp-1178619 | Insert a P atom in the line between atoms at indices 15 and 11, and the inserted atom must be 3.07 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Zr2Cl8O32
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... | data_image0
_chemical_formula_structural Zr2Cl8O32P
_chemical_formula_sum "Zr2 Cl8 O32 P1"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_... |
InsertBetweenAtomsAction | 01b3b76a-2e30-461a-8f41-1f0a5c315562 | mp-780315 | Insert a Ac atom in the line between atoms at indices 11 and 10, and the inserted atom must be 1.45 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li4Cr2Fe3O10
_chemical_formula_sum "Li4 Cr2 Fe3 O10"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
_space... | data_image0
_chemical_formula_structural Li4Cr2Fe3O10Ac
_chemical_formula_sum "Li4 Cr2 Fe3 O10 Ac1"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
... |
InsertBetweenAtomsAction | 949bd4cf-df6e-487f-9e48-3e354dbb55d4 | mp-780431 | Insert a Mt atom in the line between atoms at indices 62 and 52, and the inserted atom must be 4.80 angstrom from atom at 62 in the cif file. | data_image0
_chemical_formula_structural Li8Fe8P8H16O40
_chemical_formula_sum "Li8 Fe8 P8 H16 O40"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_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 Li8Fe8P8H16O40Mt
_chemical_formula_sum "Li8 Fe8 P8 H16 O40 Mt1"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | b9ac65d1-f916-4caf-96bd-0d20b3ef2086 | mp-850188 | Insert a Cr atom in the line between atoms at indices 4 and 11, and the inserted atom must be 2.57 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li2V2O2F8Cr
_chemical_formula_sum "Li2 V2 O2 F8 Cr1"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 08af9f55-bfb5-4ac3-b3f1-8e2bee6b7962 | mp-699403 | Insert a H atom in the line between atoms at indices 8 and 36, and the inserted atom must be 2.87 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ba2La6Ti2Cr6O24
_chemical_formula_sum "Ba2 La6 Ti2 Cr6 O24"
_cell_length_a 11.177216
_cell_length_b 5.600776
_cell_length_c 7.92704114
_cell_angle_alpha 89.40242338000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ba2La6Ti2Cr6O24H
_chemical_formula_sum "Ba2 La6 Ti2 Cr6 O24 H1"
_cell_length_a 11.177216
_cell_length_b 5.600776
_cell_length_c 7.92704114
_cell_angle_alpha 89.40242338000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
InsertBetweenAtomsAction | 2aa68672-1ed5-4b4e-8fba-7c9e2dee63dd | mp-559738 | Insert a S atom in the line between atoms at indices 34 and 17, and the inserted atom must be 8.59 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... | data_image0
_chemical_formula_structural Sb8S8N8Cl40S
_chemical_formula_sum "Sb8 S9 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
... |
InsertBetweenAtomsAction | 6f03f8e8-fcf2-4862-87a0-95d0aa0cf5b8 | mp-1198626 | Insert a S atom in the line between atoms at indices 81 and 18, and the inserted atom must be 2.85 angstrom from atom at 81 in the cif file. | data_image0
_chemical_formula_structural K12Co4C24O56
_chemical_formula_sum "K12 Co4 C24 O56"
_cell_length_a 13.20634269
_cell_length_b 13.20634269
_cell_length_c 12.71587269
_cell_angle_alpha 65.56575789
_cell_angle_beta 65.56575789
_cell_angle_gamma 51.40480058000001
_s... | data_image0
_chemical_formula_structural K12Co4C24O56S
_chemical_formula_sum "K12 Co4 C24 O56 S1"
_cell_length_a 13.20634269
_cell_length_b 13.20634269
_cell_length_c 12.71587269
_cell_angle_alpha 65.56575789
_cell_angle_beta 65.56575789
_cell_angle_gamma 51.40480058000001... |
InsertBetweenAtomsAction | db91cfa9-4baa-4a26-be5f-a36e8de1ed6e | mp-1235973 | Insert a Er atom in the line between atoms at indices 15 and 8, and the inserted atom must be 1.64 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY4Ag4O12Er
_chemical_formula_sum "Li1 Y4 Ag4 O12 Er1"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name... |
InsertBetweenAtomsAction | 5ffc3965-1e78-4ad2-a2c2-92c80a3c11d8 | mp-765943 | Insert a P atom in the line between atoms at indices 40 and 23, and the inserted atom must be 7.13 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.28340534
_cell_length_b 14.97931066
_cell_length_c 5.89211982
_cell_angle_alpha 100.62400067999998
_cell_angle_beta 91.38468044
_cell_angle_gamma 87.02975482
_spac... | data_image0
_chemical_formula_structural Li12V8O16F8P
_chemical_formula_sum "Li12 V8 O16 F8 P1"
_cell_length_a 5.28340534
_cell_length_b 14.97931066
_cell_length_c 5.89211982
_cell_angle_alpha 100.62400067999998
_cell_angle_beta 91.38468044
_cell_angle_gamma 87.02975482
_... |
InsertBetweenAtomsAction | 9ca59179-746a-491a-91e5-fedd06708454 | mp-25954 | Insert a Pd atom in the line between atoms at indices 6 and 32, and the inserted atom must be 3.55 angstrom from atom at 6 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 Co6P6O24Pd
_chemical_formula_sum "Co6 P6 O24 Pd1"
_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 | c9fc7b6a-10e8-4fb9-8646-911ed32e3f35 | mp-16136 | Insert a Xe atom in the line between atoms at indices 12 and 14, and the inserted atom must be 3.17 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_n... | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14Xe
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14 Xe1"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_g... |
InsertBetweenAtomsAction | 78cf0102-8a32-49c1-80ac-179a28eaf3be | mp-755023 | Insert a C atom in the line between atoms at indices 5 and 9, and the inserted atom must be 1.00 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mg2Mn3O8
_chemical_formula_sum "Mg2 Mn3 O8"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group_name_... | data_image0
_chemical_formula_structural Mg2Mn3O8C
_chemical_formula_sum "Mg2 Mn3 O8 C1"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group_n... |
InsertBetweenAtomsAction | fb2e27fb-11af-4995-99ed-b09cd70bbd29 | mp-1217240 | Insert a Md atom in the line between atoms at indices 20 and 16, and the inserted atom must be 6.20 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural U6P8S32
_chemical_formula_sum "U6 P8 S32"
_cell_length_a 12.18009283
_cell_length_b 12.18009283
_cell_length_c 12.18009283
_cell_angle_alpha 126.52364913
_cell_angle_beta 126.52364913
_cell_angle_gamma 79.02917861
_space_group_name... | data_image0
_chemical_formula_structural U6P8S32Md
_chemical_formula_sum "U6 P8 S32 Md1"
_cell_length_a 12.18009283
_cell_length_b 12.18009283
_cell_length_c 12.18009283
_cell_angle_alpha 126.52364913
_cell_angle_beta 126.52364913
_cell_angle_gamma 79.02917861
_space_grou... |
InsertBetweenAtomsAction | 011ac829-497c-46bc-8793-755c5345edeb | mp-867658 | Insert a O atom in the line between atoms at indices 46 and 29, and the inserted atom must be 2.90 angstrom from atom at 46 in the cif file. | data_image0
_chemical_formula_structural La14Mn13O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... | data_image0
_chemical_formula_structural La14Mn13O43
_chemical_formula_sum "La14 Mn13 O43"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... |
InsertBetweenAtomsAction | 3a4a5b21-d192-41b6-a217-473165f9c125 | mp-1076079 | Insert a Sg atom in the line between atoms at indices 6 and 20, and the inserted atom must be 3.64 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Sr5Ca3MnFe7O24
_chemical_formula_sum "Sr5 Ca3 Mn1 Fe7 O24"
_cell_length_a 7.7761693
_cell_length_b 7.776169299999999
_cell_length_c 7.77140523
_cell_angle_alpha 89.99016139999999
_cell_angle_beta 89.99016139999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr5Ca3MnFe7O24Sg
_chemical_formula_sum "Sr5 Ca3 Mn1 Fe7 O24 Sg1"
_cell_length_a 7.7761693
_cell_length_b 7.776169299999999
_cell_length_c 7.77140523
_cell_angle_alpha 89.99016139999999
_cell_angle_beta 89.99016139999999
_cell_angle_gam... |
InsertBetweenAtomsAction | 47b155d2-f3b9-4de8-992c-5df1b0f2c281 | mp-1176457 | Insert a V atom in the line between atoms at indices 4 and 3, and the inserted atom must be 1.84 angstrom from atom at 4 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 Mn6O2F10V
_chemical_formula_sum "Mn6 O2 F10 V1"
_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_... |
InsertBetweenAtomsAction | bea94a08-4597-4502-948b-698bf43818ce | mp-733581 | Insert a Lv atom in the line between atoms at indices 22 and 31, and the inserted atom must be 0.79 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Pr8H8Se16O48
_chemical_formula_sum "Pr8 H8 Se16 O48"
_cell_length_a 7.08154831
_cell_length_b 8.41853341
_cell_length_c 18.8842553
_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 Pr8H8Se16O48Lv
_chemical_formula_sum "Pr8 H8 Se16 O48 Lv1"
_cell_length_a 7.08154831
_cell_length_b 8.41853341
_cell_length_c 18.8842553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | c141f73d-7db8-4f29-8181-abf7eaf92ee5 | mp-1219022 | Insert a H atom in the line between atoms at indices 12 and 0, and the inserted atom must be 1.08 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural SmTiFe11
_chemical_formula_sum "Sm1 Ti1 Fe11"
_cell_length_a 4.711788
_cell_length_b 6.48591216
_cell_length_c 6.48591216
_cell_angle_alpha 97.20522104999999
_cell_angle_beta 111.29884729000001
_cell_angle_gamma 68.70115270999999
_... | data_image0
_chemical_formula_structural SmTiFe11H
_chemical_formula_sum "Sm1 Ti1 Fe11 H1"
_cell_length_a 4.711788
_cell_length_b 6.48591216
_cell_length_c 6.48591216
_cell_angle_alpha 97.20522104999999
_cell_angle_beta 111.29884729000001
_cell_angle_gamma 68.7011527099999... |
InsertBetweenAtomsAction | 28af278c-d94f-44ce-9c95-ebb833829fbf | mp-1224278 | Insert a Ta atom in the line between atoms at indices 22 and 10, and the inserted atom must be 1.07 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural K4PSe3O16
_chemical_formula_sum "K4 P1 Se3 O16"
_cell_length_a 7.629799
_cell_length_b 7.85621056
_cell_length_c 7.88514763
_cell_angle_alpha 72.25737369
_cell_angle_beta 85.68888994999999
_cell_angle_gamma 87.02703044
_space_group... | data_image0
_chemical_formula_structural K4PSe3O16Ta
_chemical_formula_sum "K4 P1 Se3 O16 Ta1"
_cell_length_a 7.629799
_cell_length_b 7.85621056
_cell_length_c 7.88514763
_cell_angle_alpha 72.25737369
_cell_angle_beta 85.68888994999999
_cell_angle_gamma 87.02703044
_space... |
InsertBetweenAtomsAction | 8ccb29f8-5474-495c-bc22-5491789069d2 | mp-559350 | Insert a Ag atom in the line between atoms at indices 14 and 56, and the inserted atom must be 7.21 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Zr4S16N16Cl24
_chemical_formula_sum "Zr4 S16 N16 Cl24"
_cell_length_a 7.219363
_cell_length_b 11.67949774
_cell_length_c 18.902764979999997
_cell_angle_alpha 102.7843475
_cell_angle_beta 98.62278857
_cell_angle_gamma 92.16053803
_s... | data_image0
_chemical_formula_structural Zr4S16N16Cl24Ag
_chemical_formula_sum "Zr4 S16 N16 Cl24 Ag1"
_cell_length_a 7.219363
_cell_length_b 11.67949774
_cell_length_c 18.902764979999997
_cell_angle_alpha 102.7843475
_cell_angle_beta 98.62278857
_cell_angle_gamma 92.160538... |
InsertBetweenAtomsAction | a556ab68-bb9e-4aa0-8025-313140c29cdf | mp-1407867 | Insert a Se atom in the line between atoms at indices 3 and 4, and the inserted atom must be 2.73 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Y2Sn4O8
_chemical_formula_sum "Y2 Sn4 O8"
_cell_length_a 6.86205727
_cell_length_b 6.862057270000001
_cell_length_c 6.862057270000001
_cell_angle_alpha 126.91866520999997
_cell_angle_beta 126.91866521
_cell_angle_gamma 78.38341797
... | data_image0
_chemical_formula_structural Y2Sn4O8Se
_chemical_formula_sum "Y2 Sn4 O8 Se1"
_cell_length_a 6.86205727
_cell_length_b 6.862057270000001
_cell_length_c 6.862057270000001
_cell_angle_alpha 126.91866520999997
_cell_angle_beta 126.91866521
_cell_angle_gamma 78.3834... |
InsertBetweenAtomsAction | 3f554d43-a81d-47a3-bfbd-9bcfa280ca98 | mp-1246950 | Insert a Ce atom in the line between atoms at indices 5 and 10, and the inserted atom must be 1.59 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural MnC8N6
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_spa... | data_image0
_chemical_formula_structural MnC8N6Ce
_chemical_formula_sum "Mn1 C8 N6 Ce1"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731... |
InsertBetweenAtomsAction | 564bd887-d483-4721-a976-1baaa81522b4 | mp-29756 | Insert a Sb atom in the line between atoms at indices 28 and 17, and the inserted atom must be 2.60 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Rb4B12O20
_chemical_formula_sum "Rb4 B12 O20"
_cell_length_a 6.15505139
_cell_length_b 8.47198793
_cell_length_c 8.7437799
_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 Rb4B12O20Sb
_chemical_formula_sum "Rb4 B12 O20 Sb1"
_cell_length_a 6.15505139
_cell_length_b 8.47198793
_cell_length_c 8.7437799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | d715906e-acc7-4ddf-9cee-27625767b00b | mp-510460 | Insert a Pm atom in the line between atoms at indices 1 and 0, and the inserted atom must be 7.40 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Cs2La2Zn2Te6
_chemical_formula_sum "Cs2 La2 Zn2 Te6"
_cell_length_a 8.88004605
_cell_length_b 8.88004605
_cell_length_c 12.265881
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.98271285000004
_space_group_name_H... | data_image0
_chemical_formula_structural Cs2La2Zn2Te6Pm
_chemical_formula_sum "Cs2 La2 Zn2 Te6 Pm1"
_cell_length_a 8.88004605
_cell_length_b 8.88004605
_cell_length_c 12.265881
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.98271285000004
_space_group_... |
InsertBetweenAtomsAction | 855cc35b-e7b6-4f7e-9ee3-c61957ced7ce | mp-1030605 | Insert a Bi atom in the line between atoms at indices 10 and 5, and the inserted atom must be 0.76 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Te2Mo3WSe6
_chemical_formula_sum "Te2 Mo3 W1 Se6"
_cell_length_a 3.37968023
_cell_length_b 3.3796802299999995
_cell_length_c 38.507669
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_n... | data_image0
_chemical_formula_structural Te2Mo3WSe6Bi
_chemical_formula_sum "Te2 Mo3 W1 Se6 Bi1"
_cell_length_a 3.37968023
_cell_length_b 3.3796802299999995
_cell_length_c 38.507669
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_g... |
InsertBetweenAtomsAction | d3aa7f63-928e-4579-bee5-4a37660d4575 | mp-1227612 | Insert a Hf atom in the line between atoms at indices 15 and 61, and the inserted atom must be 7.48 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural La18In10Se42
_chemical_formula_sum "La18 In10 Se42"
_cell_length_a 12.60651707
_cell_length_b 12.606517070000002
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.0123094
_spa... | data_image0
_chemical_formula_structural La18In10Se42Hf
_chemical_formula_sum "La18 In10 Se42 Hf1"
_cell_length_a 12.60651707
_cell_length_b 12.606517070000002
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.0123094... |
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