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 | 2f437473-59d1-4b9c-9370-9fcea3021cf3 | mp-530600 | Insert a Cs atom in the line between atoms at indices 61 and 67, and the inserted atom must be 1.26 angstrom from atom at 61 in the cif file. | data_image0
_chemical_formula_structural Li14Ti21O48
_chemical_formula_sum "Li14 Ti21 O48"
_cell_length_a 5.97534046
_cell_length_b 5.975340460000001
_cell_length_c 29.236752079999995
_cell_angle_alpha 89.9418527
_cell_angle_beta 89.9418527
_cell_angle_gamma 60.01494276
_... | data_image0
_chemical_formula_structural Li14Ti21O48Cs
_chemical_formula_sum "Li14 Ti21 O48 Cs1"
_cell_length_a 5.97534046
_cell_length_b 5.975340460000001
_cell_length_c 29.236752079999995
_cell_angle_alpha 89.9418527
_cell_angle_beta 89.9418527
_cell_angle_gamma 60.01494... |
InsertBetweenAtomsAction | 14ed30a8-6f10-4cd4-8c6c-5cab45559747 | mp-637030 | Insert a Re atom in the line between atoms at indices 9 and 10, and the inserted atom must be 1.31 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Gd2Al6Si4Pt
_chemical_formula_sum "Gd2 Al6 Si4 Pt1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13.91258... | data_image0
_chemical_formula_structural Gd2Al6Si4PtRe
_chemical_formula_sum "Gd2 Al6 Si4 Pt1 Re1"
_cell_length_a 17.18022257
_cell_length_b 17.18022257
_cell_length_c 17.18022252
_cell_angle_alpha 13.912585979999987
_cell_angle_beta 13.912585980000012
_cell_angle_gamma 13... |
InsertBetweenAtomsAction | ae1d7670-96c1-4d08-aadc-03796b38daf0 | mp-1078353 | Insert a Zn atom in the line between atoms at indices 3 and 18, and the inserted atom must be 2.20 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Mn2Pb4W2O12
_chemical_formula_sum "Mn2 Pb4 W2 O12"
_cell_length_a 5.80682125
_cell_length_b 5.809345270000001
_cell_length_c 10.05465674
_cell_angle_alpha 73.28351843
_cell_angle_beta 89.96123195999999
_cell_angle_gamma 120.08865650... | data_image0
_chemical_formula_structural Mn2Pb4W2O12Zn
_chemical_formula_sum "Mn2 Pb4 W2 O12 Zn1"
_cell_length_a 5.80682125
_cell_length_b 5.809345270000001
_cell_length_c 10.05465674
_cell_angle_alpha 73.28351843
_cell_angle_beta 89.96123195999999
_cell_angle_gamma 120.08... |
InsertBetweenAtomsAction | 7107e951-ed16-4287-90b3-56035408cde0 | mp-20817 | Insert a Cr atom in the line between atoms at indices 8 and 3, and the inserted atom must be 3.26 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ge4Pt4Se4
_chemical_formula_sum "Ge4 Pt4 Se4"
_cell_length_a 6.02894882
_cell_length_b 6.05269499
_cell_length_c 6.11051989
_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 Ge4Pt4Se4Cr
_chemical_formula_sum "Ge4 Pt4 Se4 Cr1"
_cell_length_a 6.02894882
_cell_length_b 6.05269499
_cell_length_c 6.11051989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | ff311ff1-330a-40eb-b387-1898e945f4b9 | mp-771918 | Insert a As atom in the line between atoms at indices 68 and 45, and the inserted atom must be 10.06 angstrom from atom at 68 in the cif file. | data_image0
_chemical_formula_structural Li16Mn8P8O32F8
_chemical_formula_sum "Li16 Mn8 P8 O32 F8"
_cell_length_a 5.140871
_cell_length_b 13.176346
_cell_length_c 13.18498818
_cell_angle_alpha 60.45596281000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Li16Mn8P8O32F8As
_chemical_formula_sum "Li16 Mn8 P8 O32 F8 As1"
_cell_length_a 5.140871
_cell_length_b 13.176346
_cell_length_c 13.18498818
_cell_angle_alpha 60.45596281000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
InsertBetweenAtomsAction | a072d0fb-eb3b-45bd-9400-127cbb3eeacf | mp-570684 | Insert a W atom in the line between atoms at indices 10 and 3, and the inserted atom must be 1.96 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Zr4Os8
_chemical_formula_sum "Zr4 Os8"
_cell_length_a 5.2087459
_cell_length_b 5.20874741
_cell_length_c 8.58838303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000971999998
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Zr4Os8W
_chemical_formula_sum "Zr4 Os8 W1"
_cell_length_a 5.2087459
_cell_length_b 5.20874741
_cell_length_c 8.58838303
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000971999998
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | ec21be58-2db4-4345-92ad-ff27b8c506e4 | mp-1198663 | Insert a Mn atom in the line between atoms at indices 39 and 5, and the inserted atom must be 4.79 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural K8Li4H24N12
_chemical_formula_sum "K8 Li4 H24 N12"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural K8Li4H24N12Mn
_chemical_formula_sum "K8 Li4 H24 N12 Mn1"
_cell_length_a 7.004138
_cell_length_b 7.004138
_cell_length_c 12.005835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | c986105a-82ea-4611-bfc4-44057664863a | mp-758066 | Insert a Cr atom in the line between atoms at indices 2 and 10, and the inserted atom must be 1.78 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Li4V6P8O28
_chemical_formula_sum "Li4 V6 P8 O28"
_cell_length_a 5.338507
_cell_length_b 6.625273469999999
_cell_length_c 16.03223444
_cell_angle_alpha 81.67600264000001
_cell_angle_beta 83.46847737
_cell_angle_gamma 72.26610188
_sp... | data_image0
_chemical_formula_structural Li4V6P8O28Cr
_chemical_formula_sum "Li4 V6 P8 O28 Cr1"
_cell_length_a 5.338507
_cell_length_b 6.625273469999999
_cell_length_c 16.03223444
_cell_angle_alpha 81.67600264000001
_cell_angle_beta 83.46847737
_cell_angle_gamma 72.2661018... |
InsertBetweenAtomsAction | e728fa3d-980c-4992-82a7-31924ff643d2 | mp-753702 | Insert a Xe atom in the line between atoms at indices 17 and 2, and the inserted atom must be 1.65 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Li4V4Si4O16
_chemical_formula_sum "Li4 V4 Si4 O16"
_cell_length_a 4.97352403
_cell_length_b 9.243516709999998
_cell_length_c 6.241561
_cell_angle_alpha 89.99882645000001
_cell_angle_beta 90.00073469
_cell_angle_gamma 97.01219666
_s... | data_image0
_chemical_formula_structural Li4V4Si4O16Xe
_chemical_formula_sum "Li4 V4 Si4 O16 Xe1"
_cell_length_a 4.97352403
_cell_length_b 9.243516709999998
_cell_length_c 6.241561
_cell_angle_alpha 89.99882645000001
_cell_angle_beta 90.00073469
_cell_angle_gamma 97.012196... |
InsertBetweenAtomsAction | 1dadbbb2-920b-4596-9703-6729c622fb68 | mp-696283 | Insert a Ar atom in the line between atoms at indices 0 and 10, and the inserted atom must be 3.59 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural H8S8N12O2
_chemical_formula_sum "H8 S8 N12 O2"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_group_name... | data_image0
_chemical_formula_structural H8S8N12O2Ar
_chemical_formula_sum "H8 S8 N12 O2 Ar1"
_cell_length_a 9.61511318
_cell_length_b 9.61511318
_cell_length_c 7.09981812
_cell_angle_alpha 75.06927197
_cell_angle_beta 75.06927197
_cell_angle_gamma 38.50693212
_space_grou... |
InsertBetweenAtomsAction | b24805e4-35a4-4d86-b3b9-a0c2b7f410fd | mp-1096809 | Insert a Ts atom in the line between atoms at indices 6 and 9, and the inserted atom must be 8.81 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Al8Zn4S16
_chemical_formula_sum "Al8 Zn4 S16"
_cell_length_a 5.910544
_cell_length_b 7.22181
_cell_length_c 12.474986
_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 Al8Zn4S16Ts
_chemical_formula_sum "Al8 Zn4 S16 Ts1"
_cell_length_a 5.910544
_cell_length_b 7.22181
_cell_length_c 12.474986
_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 | 60944ed3-e6fe-47e1-9bcd-3eecb3a06603 | mp-754713 | Insert a Li atom in the line between atoms at indices 18 and 4, and the inserted atom must be 3.24 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Al8Cr4O20
_chemical_formula_sum "Al8 Cr4 O20"
_cell_length_a 5.05828776
_cell_length_b 7.185476969999999
_cell_length_c 10.24938235
_cell_angle_alpha 74.62419369000001
_cell_angle_beta 82.79878355
_cell_angle_gamma 110.2480265400000... | data_image0
_chemical_formula_structural Al8Cr4O20Li
_chemical_formula_sum "Al8 Cr4 O20 Li1"
_cell_length_a 5.05828776
_cell_length_b 7.185476969999999
_cell_length_c 10.24938235
_cell_angle_alpha 74.62419369000001
_cell_angle_beta 82.79878355
_cell_angle_gamma 110.2480265... |
InsertBetweenAtomsAction | d8cdb540-24f6-499e-9ae9-a4940a28f563 | mp-2240560 | Insert a Y atom in the line between atoms at indices 7 and 8, and the inserted atom must be 0.39 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgTiCo2O6Y
_chemical_formula_sum "Mg1 Ti1 Co2 O6 Y1"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.4464... |
InsertBetweenAtomsAction | 8d2c4847-7cca-41dc-9913-e7d9a72c7a5e | mp-1320208 | Insert a No atom in the line between atoms at indices 14 and 7, and the inserted atom must be 4.10 angstrom from atom at 14 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 Ba4Y2Cr6O14No
_chemical_formula_sum "Ba4 Y2 Cr6 O14 No1"
_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 | 47f164cb-2a2b-4a71-a7fe-07dcac4e3094 | mp-556409 | Insert a Fm atom in the line between atoms at indices 17 and 26, and the inserted atom must be 2.27 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20
_chemical_formula_sum "Ba7 Ca2 Mn5 O20"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.1467... | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20Fm
_chemical_formula_sum "Ba7 Ca2 Mn5 O20 Fm1"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 1... |
InsertBetweenAtomsAction | 93096aa1-caca-4d26-8827-8f29a0788a21 | mp-768771 | Insert a Pt atom in the line between atoms at indices 40 and 36, and the inserted atom must be 5.35 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Li12Bi4B8O24
_chemical_formula_sum "Li12 Bi4 B8 O24"
_cell_length_a 9.188294
_cell_length_b 5.32128
_cell_length_c 12.005007730000003
_cell_angle_alpha 65.01187173
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li12Bi4B8O24Pt
_chemical_formula_sum "Li12 Bi4 B8 O24 Pt1"
_cell_length_a 9.188294
_cell_length_b 5.32128
_cell_length_c 12.005007730000003
_cell_angle_alpha 65.01187173
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 3d2146b5-8124-4973-be22-05a857cc6c96 | mp-1377792 | Insert a Nd atom in the line between atoms at indices 5 and 9, and the inserted atom must be 4.03 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mg4V2Ir2O12
_chemical_formula_sum "Mg4 V2 Ir2 O12"
_cell_length_a 5.275469
_cell_length_b 5.115261
_cell_length_c 9.03851202
_cell_angle_alpha 55.72667628
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg4V2Ir2O12Nd
_chemical_formula_sum "Mg4 V2 Ir2 O12 Nd1"
_cell_length_a 5.275469
_cell_length_b 5.115261
_cell_length_c 9.03851202
_cell_angle_alpha 55.72667628
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | f2bce518-9e94-4e1c-b30f-6cf57a297d6e | mp-764815 | Insert a Y atom in the line between atoms at indices 33 and 4, and the inserted atom must be 4.21 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Li3Fe8B8O24
_chemical_formula_sum "Li3 Fe8 B8 O24"
_cell_length_a 5.255842
_cell_length_b 5.27095882
_cell_length_c 20.07931436
_cell_angle_alpha 90.31009899
_cell_angle_beta 90.40631797
_cell_angle_gamma 119.25181349
_space_group_... | data_image0
_chemical_formula_structural Li3Fe8B8O24Y
_chemical_formula_sum "Li3 Fe8 B8 O24 Y1"
_cell_length_a 5.255842
_cell_length_b 5.27095882
_cell_length_c 20.07931436
_cell_angle_alpha 90.31009899
_cell_angle_beta 90.40631797
_cell_angle_gamma 119.25181349
_space_gr... |
InsertBetweenAtomsAction | 2148d33b-25a3-4c39-991b-3502e7b06475 | mp-3887 | Insert a Mt atom in the line between atoms at indices 39 and 23, and the inserted atom must be 4.83 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N16Mt
_chemical_formula_sum "Li24 Ga8 N16 Mt1"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.470385330000... |
InsertBetweenAtomsAction | 81fbde1a-6581-4efa-ad09-04545ef9e11a | mp-1210568 | Insert a Th atom in the line between atoms at indices 5 and 9, and the inserted atom must be 1.37 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Lu12Co4Sn2
_chemical_formula_sum "Lu12 Co4 Sn2"
_cell_length_a 8.12214077
_cell_length_b 8.12212615
_cell_length_c 8.12215372
_cell_angle_alpha 111.34907923
_cell_angle_beta 109.57515188
_cell_angle_gamma 107.51213659
_space_group_... | data_image0
_chemical_formula_structural Lu12Co4Sn2Th
_chemical_formula_sum "Lu12 Co4 Sn2 Th1"
_cell_length_a 8.12214077
_cell_length_b 8.12212615
_cell_length_c 8.12215372
_cell_angle_alpha 111.34907923
_cell_angle_beta 109.57515188
_cell_angle_gamma 107.51213659
_space_... |
InsertBetweenAtomsAction | ca441289-5c90-454f-97c3-1b524fc9f499 | mp-1356795 | Insert a Am atom in the line between atoms at indices 29 and 9, and the inserted atom must be 5.37 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Zn6Bi4P4O24
_chemical_formula_sum "Zn6 Bi4 P4 O24"
_cell_length_a 5.253354
_cell_length_b 7.938561
_cell_length_c 12.044391
_cell_angle_alpha 88.87129292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Zn6Bi4P4O24Am
_chemical_formula_sum "Zn6 Bi4 P4 O24 Am1"
_cell_length_a 5.253354
_cell_length_b 7.938561
_cell_length_c 12.044391
_cell_angle_alpha 88.87129292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 904cd93f-1790-4383-9c57-d87d62dbcfc6 | mp-1027815 | Insert a Md atom in the line between atoms at indices 0 and 13, and the inserted atom must be 3.04 angstrom from atom at 0 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 KMg14CoMd
_chemical_formula_sum "K1 Mg14 Co1 Md1"
_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 | 5266a10a-79e4-4fc0-a56c-004c8c26d325 | mp-18292 | Insert a Er atom in the line between atoms at indices 13 and 0, and the inserted atom must be 1.62 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural La8Mn2S12O2
_chemical_formula_sum "La8 Mn2 S12 O2"
_cell_length_a 9.5080546
_cell_length_b 9.5080546
_cell_length_c 6.865941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000419000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural La8Mn2S12O2Er
_chemical_formula_sum "La8 Mn2 S12 O2 Er1"
_cell_length_a 9.5080546
_cell_length_b 9.5080546
_cell_length_c 6.865941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000419000001
_space_group_name_... |
InsertBetweenAtomsAction | 5a835b7d-819b-46d0-8a2b-82fd2261bfab | mp-1210133 | Insert a Pm atom in the line between atoms at indices 30 and 6, and the inserted atom must be 0.53 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4Ga4P8O28Pm
_chemical_formula_sum "Na4 Ga4 P8 O28 Pm1"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | efe2c1b9-8701-48dd-9924-baf9cdf0a6cd | mp-1233053 | Insert a Zn atom in the line between atoms at indices 18 and 19, and the inserted atom must be 0.67 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural MgV8O8F8
_chemical_formula_sum "Mg1 V8 O8 F8"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_space_grou... | data_image0
_chemical_formula_structural MgV8O8F8Zn
_chemical_formula_sum "Mg1 V8 O8 F8 Zn1"
_cell_length_a 4.92631587
_cell_length_b 10.52289636
_cell_length_c 5.74835096
_cell_angle_alpha 85.04993622000002
_cell_angle_beta 95.09364485
_cell_angle_gamma 90.56101114
_spac... |
InsertBetweenAtomsAction | f61411cb-b75a-4ea2-ad59-61db1dc7e948 | mp-27888 | Insert a Lu atom in the line between atoms at indices 4 and 11, and the inserted atom must be 2.77 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Zr3GeO8
_chemical_formula_sum "Zr3 Ge1 O8"
_cell_length_a 5.01459289
_cell_length_b 5.01458845
_cell_length_c 6.33418319
_cell_angle_alpha 113.31969382
_cell_angle_beta 113.32013782
_cell_angle_gamma 90.00120143000001
_space_group_... | data_image0
_chemical_formula_structural Zr3GeO8Lu
_chemical_formula_sum "Zr3 Ge1 O8 Lu1"
_cell_length_a 5.01459289
_cell_length_b 5.01458845
_cell_length_c 6.33418319
_cell_angle_alpha 113.31969382
_cell_angle_beta 113.32013782
_cell_angle_gamma 90.00120143000001
_space_... |
InsertBetweenAtomsAction | 482e655e-379c-4961-800e-2fc4fddae0b9 | mp-1176929 | Insert a Cm atom in the line between atoms at indices 91 and 11, and the inserted atom must be 1.08 angstrom from atom at 91 in the cif file. | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227000000... | data_image0
_chemical_formula_structural Li12V6P16O58Cm
_chemical_formula_sum "Li12 V6 P16 O58 Cm1"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227... |
InsertBetweenAtomsAction | e4da07be-375c-4abb-ab0c-5915f79d1aee | mp-639682 | Insert a Se atom in the line between atoms at indices 0 and 1, and the inserted atom must be 1.15 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 7.19367919
_cell_length_b 7.19367919
_cell_length_c 12.12717244
_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 Si10O20Se
_chemical_formula_sum "Si10 O20 Se1"
_cell_length_a 7.19367919
_cell_length_b 7.19367919
_cell_length_c 12.12717244
_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 | 958f6acb-6b13-494c-a916-42ff69f958aa | mp-757139 | Insert a Ba atom in the line between atoms at indices 2 and 11, and the inserted atom must be 0.61 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Li6TiMn3P6O24
_chemical_formula_sum "Li6 Ti1 Mn3 P6 O24"
_cell_length_a 8.620037
_cell_length_b 8.65660093
_cell_length_c 8.76631981
_cell_angle_alpha 61.44259836
_cell_angle_beta 61.38097025
_cell_angle_gamma 61.406440620000005
_s... | data_image0
_chemical_formula_structural Li6TiMn3P6O24Ba
_chemical_formula_sum "Li6 Ti1 Mn3 P6 O24 Ba1"
_cell_length_a 8.620037
_cell_length_b 8.65660093
_cell_length_c 8.76631981
_cell_angle_alpha 61.44259836
_cell_angle_beta 61.38097025
_cell_angle_gamma 61.4064406200000... |
InsertBetweenAtomsAction | 9a657bdb-dff7-48a9-86ce-d387f1be98f1 | mp-1099221 | Insert a Ge atom in the line between atoms at indices 3 and 1, and the inserted atom must be 5.12 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural CsMg6BO7
_chemical_formula_sum "Cs1 Mg6 B1 O7"
_cell_length_a 4.876208
_cell_length_b 4.876208
_cell_length_c 7.931088
_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 CsMg6BO7Ge
_chemical_formula_sum "Cs1 Mg6 B1 O7 Ge1"
_cell_length_a 4.876208
_cell_length_b 4.876208
_cell_length_c 7.931088
_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 | 898a49ac-23bd-480b-94f9-99fa2a33e14b | mp-1043461 | Insert a C atom in the line between atoms at indices 44 and 12, and the inserted atom must be 2.35 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural Ni4Sb4P8O36
_chemical_formula_sum "Ni4 Sb4 P8 O36"
_cell_length_a 6.398521
_cell_length_b 7.881027
_cell_length_c 14.069832
_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 Ni4Sb4P8O36C
_chemical_formula_sum "Ni4 Sb4 P8 O36 C1"
_cell_length_a 6.398521
_cell_length_b 7.881027
_cell_length_c 14.069832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 54a3f648-1f3c-4b35-a71a-f59eca9ccf7c | mp-2231769 | Insert a Po atom in the line between atoms at indices 11 and 13, and the inserted atom must be 2.77 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural MgMn2Se4O12
_chemical_formula_sum "Mg1 Mn2 Se4 O12"
_cell_length_a 5.44462449
_cell_length_b 6.89465889
_cell_length_c 7.89161823
_cell_angle_alpha 88.69789064999999
_cell_angle_beta 93.2494109
_cell_angle_gamma 83.75586802
_space_... | data_image0
_chemical_formula_structural MgMn2Se4O12Po
_chemical_formula_sum "Mg1 Mn2 Se4 O12 Po1"
_cell_length_a 5.44462449
_cell_length_b 6.89465889
_cell_length_c 7.89161823
_cell_angle_alpha 88.69789064999999
_cell_angle_beta 93.2494109
_cell_angle_gamma 83.75586802
_... |
InsertBetweenAtomsAction | 179d35a4-bcb1-4fbd-b3cf-af452dd6477b | mp-1213688 | Insert a Ts atom in the line between atoms at indices 13 and 11, and the inserted atom must be 3.87 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Cs4Ca4I12
_chemical_formula_sum "Cs4 Ca4 I12"
_cell_length_a 8.57588159
_cell_length_b 8.78260577
_cell_length_c 12.28814489
_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 Cs4Ca4I12Ts
_chemical_formula_sum "Cs4 Ca4 I12 Ts1"
_cell_length_a 8.57588159
_cell_length_b 8.78260577
_cell_length_c 12.28814489
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | b607790b-0c66-4670-95e0-a9cd60efb3bc | mp-1227253 | Insert a Tb atom in the line between atoms at indices 26 and 15, and the inserted atom must be 1.33 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU3Ti8O24Tb
_chemical_formula_sum "Ca1 U3 Ti8 O24 Tb1"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_gro... |
InsertBetweenAtomsAction | 6137d550-4f97-45f6-a785-59b4307b3efd | mp-561179 | Insert a Cm atom in the line between atoms at indices 20 and 22, and the inserted atom must be 5.45 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Ba8Cu4I4O8
_chemical_formula_sum "Ba8 Cu4 I4 O8"
_cell_length_a 4.44409499
_cell_length_b 11.08544927
_cell_length_c 14.130622020000002
_cell_angle_alpha 88.26392371999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural Ba8Cu4I4O8Cm
_chemical_formula_sum "Ba8 Cu4 I4 O8 Cm1"
_cell_length_a 4.44409499
_cell_length_b 11.08544927
_cell_length_c 14.130622020000002
_cell_angle_alpha 88.26392371999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
InsertBetweenAtomsAction | 32918726-c717-46fa-b7eb-ad54c0a05465 | mp-559041 | Insert a Pd atom in the line between atoms at indices 17 and 10, and the inserted atom must be 6.31 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4
_chemical_formula_sum "Tl2 Mo4 Cl14 O4"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_space_grou... | data_image0
_chemical_formula_structural Tl2Mo4Cl14O4Pd
_chemical_formula_sum "Tl2 Mo4 Cl14 O4 Pd1"
_cell_length_a 7.267019
_cell_length_b 9.62580344
_cell_length_c 10.28145424
_cell_angle_alpha 103.5128878
_cell_angle_beta 90.43926368
_cell_angle_gamma 109.13855377
_spac... |
InsertBetweenAtomsAction | 6da4c94f-31b7-4c18-be81-ac4dd498c0fe | mp-761710 | Insert a Md atom in the line between atoms at indices 8 and 10, and the inserted atom must be 3.75 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li2Fe2Co2O8
_chemical_formula_sum "Li2 Fe2 Co2 O8"
_cell_length_a 5.84785554
_cell_length_b 5.847855770000001
_cell_length_c 5.84785554
_cell_angle_alpha 89.97011905
_cell_angle_beta 119.157337
_cell_angle_gamma 59.184920010000006
... | data_image0
_chemical_formula_structural Li2Fe2Co2O8Md
_chemical_formula_sum "Li2 Fe2 Co2 O8 Md1"
_cell_length_a 5.84785554
_cell_length_b 5.847855770000001
_cell_length_c 5.84785554
_cell_angle_alpha 89.97011905
_cell_angle_beta 119.157337
_cell_angle_gamma 59.18492001000... |
InsertBetweenAtomsAction | 3844ffff-c2bc-4a21-8088-7bb19fb31b6c | mp-22385 | Insert a Lu atom in the line between atoms at indices 2 and 9, and the inserted atom must be 3.56 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural NpAl8Fe4
_chemical_formula_sum "Np1 Al8 Fe4"
_cell_length_a 6.67251209
_cell_length_b 6.67251209
_cell_length_c 6.67251209
_cell_angle_alpha 98.01214626999999
_cell_angle_beta 98.01214626999999
_cell_angle_gamma 136.15645146
_space... | data_image0
_chemical_formula_structural NpAl8Fe4Lu
_chemical_formula_sum "Np1 Al8 Fe4 Lu1"
_cell_length_a 6.67251209
_cell_length_b 6.67251209
_cell_length_c 6.67251209
_cell_angle_alpha 98.01214626999999
_cell_angle_beta 98.01214626999999
_cell_angle_gamma 136.15645146
... |
InsertBetweenAtomsAction | cf516d97-d973-4548-afcc-223b4de4cfe1 | mp-2713621 | Insert a Hg atom in the line between atoms at indices 65 and 58, and the inserted atom must be 0.88 angstrom from atom at 65 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 Na12Zr4Ti4Si8P4O48Hg
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48 Hg1"
_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 | 50c4b06c-7b9e-40d2-aa1e-f29977ad7fb6 | mp-759955 | Insert a Am atom in the line between atoms at indices 6 and 39, and the inserted atom must be 2.68 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.937069
_cell_length_b 6.03219996
_cell_length_c 15.07458003
_cell_angle_alpha 80.25103232000001
_cell_angle_beta 85.17375532
_cell_angle_gamma 60.75174218
_space_g... | data_image0
_chemical_formula_structural Li12V8O16F8Am
_chemical_formula_sum "Li12 V8 O16 F8 Am1"
_cell_length_a 5.937069
_cell_length_b 6.03219996
_cell_length_c 15.07458003
_cell_angle_alpha 80.25103232000001
_cell_angle_beta 85.17375532
_cell_angle_gamma 60.75174218
_s... |
InsertBetweenAtomsAction | a614f8bf-b0b5-49df-8b96-914e5e12a49c | mp-1377792 | Insert a Lr atom in the line between atoms at indices 3 and 8, and the inserted atom must be 1.05 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Mg4V2Ir2O12
_chemical_formula_sum "Mg4 V2 Ir2 O12"
_cell_length_a 5.275469
_cell_length_b 5.115261
_cell_length_c 9.03851202
_cell_angle_alpha 55.72667628
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg4V2Ir2O12Lr
_chemical_formula_sum "Mg4 V2 Ir2 O12 Lr1"
_cell_length_a 5.275469
_cell_length_b 5.115261
_cell_length_c 9.03851202
_cell_angle_alpha 55.72667628
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 37e65d71-e709-4e42-a832-123319d3668d | mp-1174544 | Insert a Lu atom in the line between atoms at indices 4 and 10, and the inserted atom must be 4.16 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 2.944711
_cell_length_b 5.1004160800000005
_cell_length_c 17.2736048
_cell_angle_alpha 95.32903194999999
_cell_angle_beta 88.82123337
_cell_angle_gamma 105.12908574... | data_image0
_chemical_formula_structural Li8Mn2Co4O14Lu
_chemical_formula_sum "Li8 Mn2 Co4 O14 Lu1"
_cell_length_a 2.944711
_cell_length_b 5.1004160800000005
_cell_length_c 17.2736048
_cell_angle_alpha 95.32903194999999
_cell_angle_beta 88.82123337
_cell_angle_gamma 105.12... |
InsertBetweenAtomsAction | 5f657ab9-54ae-4905-9902-64c6ccee5978 | mp-733581 | Insert a Dy atom in the line between atoms at indices 17 and 61, and the inserted atom must be 5.01 angstrom from atom at 17 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 Pr8H8Se16O48Dy
_chemical_formula_sum "Pr8 H8 Se16 O48 Dy1"
_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 | 9780b2c0-1578-4245-8f8c-b8161b002d08 | mp-532718 | Insert a U atom in the line between atoms at indices 33 and 18, and the inserted atom must be 1.44 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Ca6Nd6Mn12O36
_chemical_formula_sum "Ca6 Nd6 Mn12 O36"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_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 Ca6Nd6Mn12O36U
_chemical_formula_sum "Ca6 Nd6 Mn12 O36 U1"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | c8e5f89a-d8d1-4bb8-85db-267a6ad5e1b5 | mp-756218 | Insert a Np atom in the line between atoms at indices 1 and 0, and the inserted atom must be 2.25 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li2V2Cr2O8
_chemical_formula_sum "Li2 V2 Cr2 O8"
_cell_length_a 5.84010577
_cell_length_b 5.83504027
_cell_length_c 5.77845652
_cell_angle_alpha 91.6471868
_cell_angle_beta 120.44420644
_cell_angle_gamma 59.70630936
_space_group_na... | data_image0
_chemical_formula_structural Li2V2Cr2O8Np
_chemical_formula_sum "Li2 V2 Cr2 O8 Np1"
_cell_length_a 5.84010577
_cell_length_b 5.83504027
_cell_length_c 5.77845652
_cell_angle_alpha 91.6471868
_cell_angle_beta 120.44420644
_cell_angle_gamma 59.70630936
_space_gr... |
InsertBetweenAtomsAction | de83b9ed-9d0a-4193-8689-67f70c140a90 | mp-23792 | Insert a Am atom in the line between atoms at indices 12 and 26, and the inserted atom must be 0.75 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999998
_... | data_image0
_chemical_formula_structural Na2Ca4Si6H2O18Am
_chemical_formula_sum "Na2 Ca4 Si6 H2 O18 Am1"
_cell_length_a 7.090316
_cell_length_b 7.11624034
_cell_length_c 8.08561858
_cell_angle_alpha 95.22026963
_cell_angle_beta 102.41097799
_cell_angle_gamma 90.44883052999... |
InsertBetweenAtomsAction | 6d774024-5641-4587-9313-d0e6da0f1875 | mp-754356 | Insert a Cf atom in the line between atoms at indices 43 and 13, and the inserted atom must be 2.47 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural Na10Mn4P4C4O28
_chemical_formula_sum "Na10 Mn4 P4 C4 O28"
_cell_length_a 6.63058431
_cell_length_b 10.56808174
_cell_length_c 10.433935000000002
_cell_angle_alpha 119.59234913
_cell_angle_beta 88.81323704
_cell_angle_gamma 90.146987... | data_image0
_chemical_formula_structural Na10Mn4P4C4O28Cf
_chemical_formula_sum "Na10 Mn4 P4 C4 O28 Cf1"
_cell_length_a 6.63058431
_cell_length_b 10.56808174
_cell_length_c 10.433935000000002
_cell_angle_alpha 119.59234913
_cell_angle_beta 88.81323704
_cell_angle_gamma 90.... |
InsertBetweenAtomsAction | cfa68bcc-10cf-40b7-9645-730acc317a14 | mp-1213037 | Insert a Mg atom in the line between atoms at indices 8 and 7, and the inserted atom must be 3.73 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural K4Li4As4
_chemical_formula_sum "K4 Li4 As4"
_cell_length_a 4.311587
_cell_length_b 12.867966
_cell_length_c 14.594449
_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 K4Li4As4Mg
_chemical_formula_sum "K4 Li4 As4 Mg1"
_cell_length_a 4.311587
_cell_length_b 12.867966
_cell_length_c 14.594449
_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 | f8e2e068-6cc2-420b-9d40-914918623296 | mp-1193391 | Insert a Co atom in the line between atoms at indices 14 and 20, and the inserted atom must be 3.58 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Co2P2N2O20
_chemical_formula_sum "Co2 P2 N2 O20"
_cell_length_a 7.846009
_cell_length_b 4.907373
_cell_length_c 12.329286
_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 Co2P2N2O20Co
_chemical_formula_sum "Co3 P2 N2 O20"
_cell_length_a 7.846009
_cell_length_b 4.907373
_cell_length_c 12.329286
_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 | 4771e0b2-c1e8-499e-aa9d-8fac97c740f6 | mp-759392 | Insert a La atom in the line between atoms at indices 30 and 26, and the inserted atom must be 1.32 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Li8Mn4F20
_chemical_formula_sum "Li8 Mn4 F20"
_cell_length_a 5.136198
_cell_length_b 7.41645
_cell_length_c 9.929168740000001
_cell_angle_alpha 70.28427604000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li8Mn4F20La
_chemical_formula_sum "Li8 Mn4 F20 La1"
_cell_length_a 5.136198
_cell_length_b 7.41645
_cell_length_c 9.929168740000001
_cell_angle_alpha 70.28427604000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | 3791c177-5eb3-4c8e-a308-f780263cc6a9 | mp-755952 | Insert a Po atom in the line between atoms at indices 9 and 15, and the inserted atom must be 1.90 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural VCu3P4O16
_chemical_formula_sum "V1 Cu3 P4 O16"
_cell_length_a 5.911984
_cell_length_b 4.853885
_cell_length_c 9.78967238
_cell_angle_alpha 89.39078934
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural VCu3P4O16Po
_chemical_formula_sum "V1 Cu3 P4 O16 Po1"
_cell_length_a 5.911984
_cell_length_b 4.853885
_cell_length_c 9.78967238
_cell_angle_alpha 89.39078934
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 04153441-3691-4553-8ab6-b7d73c673305 | mp-1172905 | Insert a Br atom in the line between atoms at indices 6 and 10, and the inserted atom must be 4.76 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 Ag3Bi3S6Br
_chemical_formula_sum "Ag3 Bi3 S6 Br1"
_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 | 22ce35ec-86d0-4e34-881e-9253520bd47e | mp-1198564 | Insert a Pu atom in the line between atoms at indices 1 and 25, and the inserted atom must be 7.38 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Eu12Cu12Ge12
_chemical_formula_sum "Eu12 Cu12 Ge12"
_cell_length_a 4.500955
_cell_length_b 7.637562
_cell_length_c 22.479168
_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 Eu12Cu12Ge12Pu
_chemical_formula_sum "Eu12 Cu12 Ge12 Pu1"
_cell_length_a 4.500955
_cell_length_b 7.637562
_cell_length_c 22.479168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 266397cf-e063-448a-8b6e-3d4888f68328 | mp-1033833 | Insert a Bi atom in the line between atoms at indices 4 and 12, and the inserted atom must be 1.56 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... | data_image0
_chemical_formula_structural CsRbMg6O7Bi
_chemical_formula_sum "Cs1 Rb1 Mg6 O7 Bi1"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_gr... |
InsertBetweenAtomsAction | 993db9e0-e138-4640-ad16-a85b6eda7f07 | mp-1220828 | Insert a Tl atom in the line between atoms at indices 72 and 29, and the inserted atom must be 10.24 angstrom from atom at 72 in the cif file. | data_image0
_chemical_formula_structural Nb16Pb12O48F8
_chemical_formula_sum "Nb16 Pb12 O48 F8"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_group_name... | data_image0
_chemical_formula_structural Nb16Pb12O48F8Tl
_chemical_formula_sum "Nb16 Pb12 O48 F8 Tl1"
_cell_length_a 12.91869857
_cell_length_b 12.91869857
_cell_length_c 7.584243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.09828515000001
_space_grou... |
InsertBetweenAtomsAction | 8e322632-3a7d-4a4a-a436-09238cef4733 | mp-1197275 | Insert a Pt atom in the line between atoms at indices 45 and 41, and the inserted atom must be 6.65 angstrom from atom at 45 in the cif file. | data_image0
_chemical_formula_structural Tb8Fe56C4
_chemical_formula_sum "Tb8 Fe56 C4"
_cell_length_a 8.729041
_cell_length_b 8.729041
_cell_length_c 11.772369
_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 Tb8Fe56C4Pt
_chemical_formula_sum "Tb8 Fe56 C4 Pt1"
_cell_length_a 8.729041
_cell_length_b 8.729041
_cell_length_c 11.772369
_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 | 0a294bf7-c664-4db3-98ee-8952e6e70c15 | mp-1039781 | Insert a Pd atom in the line between atoms at indices 52 and 29, and the inserted atom must be 2.38 angstrom from atom at 52 in the cif file. | data_image0
_chemical_formula_structural NaMg30WO32
_chemical_formula_sum "Na1 Mg30 W1 O32"
_cell_length_a 8.565666
_cell_length_b 8.565666
_cell_length_c 8.56018
_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 NaMg30WO32Pd
_chemical_formula_sum "Na1 Mg30 W1 O32 Pd1"
_cell_length_a 8.565666
_cell_length_b 8.565666
_cell_length_c 8.56018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | e868cdf4-0f83-46b7-9b4d-13a866d03971 | mp-866658 | Insert a Ca atom in the line between atoms at indices 27 and 30, and the inserted atom must be 5.41 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural H16RhN5Cl6O3
_chemical_formula_sum "H16 Rh1 N5 Cl6 O3"
_cell_length_a 9.33784635
_cell_length_b 9.33784635
_cell_length_c 9.33784639
_cell_angle_alpha 43.55420994000001
_cell_angle_beta 43.55420994
_cell_angle_gamma 43.5542098099999... | data_image0
_chemical_formula_structural H16RhN5Cl6O3Ca
_chemical_formula_sum "H16 Rh1 N5 Cl6 O3 Ca1"
_cell_length_a 9.33784635
_cell_length_b 9.33784635
_cell_length_c 9.33784639
_cell_angle_alpha 43.55420994000001
_cell_angle_beta 43.55420994
_cell_angle_gamma 43.5542098... |
InsertBetweenAtomsAction | c17c3be3-cb19-4647-b1ba-80afe74e6668 | mp-1224552 | Insert a W atom in the line between atoms at indices 6 and 4, and the inserted atom must be 9.44 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ho4NiSn8
_chemical_formula_sum "Ho4 Ni1 Sn8"
_cell_length_a 4.390995
_cell_length_b 4.397435
_cell_length_c 16.888049
_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 Ho4NiSn8W
_chemical_formula_sum "Ho4 Ni1 Sn8 W1"
_cell_length_a 4.390995
_cell_length_b 4.397435
_cell_length_c 16.888049
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
InsertBetweenAtomsAction | 2df59b9b-9328-4956-b4fb-120d22dde8ef | mp-1200515 | Insert a Er atom in the line between atoms at indices 31 and 33, and the inserted atom must be 3.59 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Tb20Si16
_chemical_formula_sum "Tb20 Si16"
_cell_length_a 7.48899009
_cell_length_b 7.70841404
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 90.00552247
_cell_angle_gamma 89.99549034
_space_group_n... | data_image0
_chemical_formula_structural Tb20Si16Er
_chemical_formula_sum "Tb20 Si16 Er1"
_cell_length_a 7.48899009
_cell_length_b 7.70841404
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 90.00552247
_cell_angle_gamma 89.99549034
_space_g... |
InsertBetweenAtomsAction | 5f1614c1-ddd7-44b5-aa0e-e3ad95e1810f | mp-1205091 | Insert a Zn atom in the line between atoms at indices 30 and 8, and the inserted atom must be 0.60 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural K4B24F24
_chemical_formula_sum "K4 B24 F24"
_cell_length_a 8.36979153
_cell_length_b 8.36979153
_cell_length_c 11.53401593
_cell_angle_alpha 88.54504346999998
_cell_angle_beta 88.54504346999998
_cell_angle_gamma 120.21922669999998
... | data_image0
_chemical_formula_structural K4B24F24Zn
_chemical_formula_sum "K4 B24 F24 Zn1"
_cell_length_a 8.36979153
_cell_length_b 8.36979153
_cell_length_c 11.53401593
_cell_angle_alpha 88.54504346999998
_cell_angle_beta 88.54504346999998
_cell_angle_gamma 120.2192266999... |
InsertBetweenAtomsAction | 9a532874-63d9-41fe-ad91-e75d23c3aa15 | mp-621667 | Insert a Sb atom in the line between atoms at indices 6 and 8, and the inserted atom must be 2.64 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Eu6Ag4
_chemical_formula_sum "Eu6 Ag4"
_cell_length_a 4.3545106
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Eu6Ag4Sb
_chemical_formula_sum "Eu6 Ag4 Sb1"
_cell_length_a 4.3545106
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 0a079273-f50d-4e3c-820e-b661b91c1a23 | mp-1305321 | Insert a Ca atom in the line between atoms at indices 0 and 1, and the inserted atom must be 0.73 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li8Mn4O8F4
_chemical_formula_sum "Li8 Mn4 O8 F4"
_cell_length_a 3.05235613
_cell_length_b 14.693265340000002
_cell_length_c 5.06606481
_cell_angle_alpha 81.73800875
_cell_angle_beta 86.33348749
_cell_angle_gamma 86.62612284000001
_... | data_image0
_chemical_formula_structural Li8Mn4O8F4Ca
_chemical_formula_sum "Li8 Mn4 O8 F4 Ca1"
_cell_length_a 3.05235613
_cell_length_b 14.693265340000002
_cell_length_c 5.06606481
_cell_angle_alpha 81.73800875
_cell_angle_beta 86.33348749
_cell_angle_gamma 86.62612284000... |
InsertBetweenAtomsAction | f2fc1eba-9777-4506-b24f-3a806fb15ac7 | mp-1042364 | Insert a F atom in the line between atoms at indices 60 and 56, and the inserted atom must be 1.19 angstrom from atom at 60 in the cif file. | data_image0
_chemical_formula_structural Ca8Ta8Bi8O40
_chemical_formula_sum "Ca8 Ta8 Bi8 O40"
_cell_length_a 5.630171
_cell_length_b 11.515526
_cell_length_c 16.534408
_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 Ca8Ta8Bi8O40F
_chemical_formula_sum "Ca8 Ta8 Bi8 O40 F1"
_cell_length_a 5.630171
_cell_length_b 11.515526
_cell_length_c 16.534408
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 5ab4b9b2-5abb-4596-b6c7-5f5db4ddd6fd | mp-1218449 | Insert a Lu atom in the line between atoms at indices 5 and 14, and the inserted atom must be 0.58 angstrom from atom at 5 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 Sr2Ca6Ir2O12Lu
_chemical_formula_sum "Sr2 Ca6 Ir2 O12 Lu1"
_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 | da9e52e9-ae45-4532-a67d-ca146a38734e | mp-2219699 | Insert a Og atom in the line between atoms at indices 8 and 12, and the inserted atom must be 1.17 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural K2MgRe2O8
_chemical_formula_sum "K2 Mg1 Re2 O8"
_cell_length_a 5.54549561
_cell_length_b 6.37898571
_cell_length_c 7.9827836
_cell_angle_alpha 113.78128377
_cell_angle_beta 110.25819822000001
_cell_angle_gamma 90.07065235
_space_gr... | data_image0
_chemical_formula_structural K2MgRe2O8Og
_chemical_formula_sum "K2 Mg1 Re2 O8 Og1"
_cell_length_a 5.54549561
_cell_length_b 6.37898571
_cell_length_c 7.9827836
_cell_angle_alpha 113.78128377
_cell_angle_beta 110.25819822000001
_cell_angle_gamma 90.07065235
_sp... |
InsertBetweenAtomsAction | 503536aa-c173-411e-8c7b-0539d3f59e00 | mp-777965 | Insert a Pu atom in the line between atoms at indices 5 and 29, and the inserted atom must be 2.62 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Na4Ti11O24
_chemical_formula_sum "Na4 Ti11 O24"
_cell_length_a 10.50339217
_cell_length_b 10.50339217
_cell_length_c 6.15520938
_cell_angle_alpha 73.95641705
_cell_angle_beta 73.95641705
_cell_angle_gamma 119.97407326000001
_space_... | data_image0
_chemical_formula_structural Na4Ti11O24Pu
_chemical_formula_sum "Na4 Ti11 O24 Pu1"
_cell_length_a 10.50339217
_cell_length_b 10.50339217
_cell_length_c 6.15520938
_cell_angle_alpha 73.95641705
_cell_angle_beta 73.95641705
_cell_angle_gamma 119.97407326000001
_... |
InsertBetweenAtomsAction | 19cfada3-97ec-4b9f-8803-217d892dd31b | mp-1218473 | Insert a Lr atom in the line between atoms at indices 1 and 6, and the inserted atom must be 2.73 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Sr3CaCu2O6
_chemical_formula_sum "Sr3 Ca1 Cu2 O6"
_cell_length_a 6.80543418
_cell_length_b 6.80543418
_cell_length_c 6.96655439
_cell_angle_alpha 75.182527
_cell_angle_beta 75.182527
_cell_angle_gamma 33.62898998999999
_space_group... | data_image0
_chemical_formula_structural Sr3CaCu2O6Lr
_chemical_formula_sum "Sr3 Ca1 Cu2 O6 Lr1"
_cell_length_a 6.80543418
_cell_length_b 6.80543418
_cell_length_c 6.96655439
_cell_angle_alpha 75.182527
_cell_angle_beta 75.182527
_cell_angle_gamma 33.62898998999999
_space... |
InsertBetweenAtomsAction | 4f38e655-a4e9-4e45-a320-ab0b265d41c7 | mp-2230615 | Insert a Lr atom in the line between atoms at indices 14 and 15, and the inserted atom must be 1.21 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural MgCo5SnO12
_chemical_formula_sum "Mg1 Co5 Sn1 O12"
_cell_length_a 5.16798225
_cell_length_b 5.06228585
_cell_length_c 10.05426768
_cell_angle_alpha 93.92568172
_cell_angle_beta 97.56611219000001
_cell_angle_gamma 59.34081011
_space... | data_image0
_chemical_formula_structural MgCo5SnO12Lr
_chemical_formula_sum "Mg1 Co5 Sn1 O12 Lr1"
_cell_length_a 5.16798225
_cell_length_b 5.06228585
_cell_length_c 10.05426768
_cell_angle_alpha 93.92568172
_cell_angle_beta 97.56611219000001
_cell_angle_gamma 59.34081011
... |
InsertBetweenAtomsAction | 825ea4b6-c509-4b97-a5e7-1810f9691b61 | mp-1209541 | Insert a Na atom in the line between atoms at indices 6 and 14, and the inserted atom must be 2.96 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Se3N3O12
_chemical_formula_sum "Se3 N3 O12"
_cell_length_a 9.26032011
_cell_length_b 9.26032011
_cell_length_c 5.68882602
_cell_angle_alpha 82.87290882000002
_cell_angle_beta 82.87290882000002
_cell_angle_gamma 53.16993631
_space_g... | data_image0
_chemical_formula_structural Se3N3O12Na
_chemical_formula_sum "Se3 N3 O12 Na1"
_cell_length_a 9.26032011
_cell_length_b 9.26032011
_cell_length_c 5.68882602
_cell_angle_alpha 82.87290882000002
_cell_angle_beta 82.87290882000002
_cell_angle_gamma 53.16993631
_s... |
InsertBetweenAtomsAction | 014dc5cd-b038-4500-b5c4-1d492a08bc9a | mp-1209106 | Insert a B atom in the line between atoms at indices 1 and 13, and the inserted atom must be 1.13 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Sb8Cl2O12
_chemical_formula_sum "Sb8 Cl2 O12"
_cell_length_a 9.8282001
_cell_length_b 9.8282001
_cell_length_c 10.9813657
_cell_angle_alpha 69.18075124000002
_cell_angle_beta 69.18075124000002
_cell_angle_gamma 24.235533709999995
_... | data_image0
_chemical_formula_structural Sb8Cl2O12B
_chemical_formula_sum "Sb8 Cl2 O12 B1"
_cell_length_a 9.8282001
_cell_length_b 9.8282001
_cell_length_c 10.9813657
_cell_angle_alpha 69.18075124000002
_cell_angle_beta 69.18075124000002
_cell_angle_gamma 24.23553370999999... |
InsertBetweenAtomsAction | 0c7dce35-1a73-4fba-afc7-06cfe6dfb6a0 | mp-1518830 | Insert a Na atom in the line between atoms at indices 15 and 34, and the inserted atom must be 1.58 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural K4Ba4Tb4Bi4O24
_chemical_formula_sum "K4 Ba4 Tb4 Bi4 O24"
_cell_length_a 8.74178874
_cell_length_b 8.70938544
_cell_length_c 8.75197493
_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 K4Ba4Tb4Bi4O24Na
_chemical_formula_sum "K4 Ba4 Tb4 Bi4 O24 Na1"
_cell_length_a 8.74178874
_cell_length_b 8.70938544
_cell_length_c 8.75197493
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | cdb98a9d-e34a-4555-8b80-f7bbd70343c0 | mp-1047828 | Insert a Re atom in the line between atoms at indices 14 and 4, and the inserted atom must be 3.30 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Mg2Mn8O18
_chemical_formula_sum "Mg2 Mn8 O18"
_cell_length_a 8.490018
_cell_length_b 8.490018
_cell_length_c 4.787582
_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 Mg2Mn8O18Re
_chemical_formula_sum "Mg2 Mn8 O18 Re1"
_cell_length_a 8.490018
_cell_length_b 8.490018
_cell_length_c 4.787582
_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 | 30b22d00-3fdb-4e11-bc88-8ee6c08227ff | mp-1205734 | Insert a Xe atom in the line between atoms at indices 7 and 0, and the inserted atom must be 3.10 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Y2Re4Si2C2
_chemical_formula_sum "Y2 Re4 Si2 C2"
_cell_length_a 5.80737617
_cell_length_b 5.807376170000001
_cell_length_c 7.317291
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.13848847999995
_space_group_name... | data_image0
_chemical_formula_structural Y2Re4Si2C2Xe
_chemical_formula_sum "Y2 Re4 Si2 C2 Xe1"
_cell_length_a 5.80737617
_cell_length_b 5.807376170000001
_cell_length_c 7.317291
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.13848847999995
_space_grou... |
InsertBetweenAtomsAction | 02efb12c-8eb1-45d3-8a07-28fd69ccbb82 | mp-559790 | Insert a At atom in the line between atoms at indices 20 and 27, and the inserted atom must be 3.69 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural K4Nb6Cl14O10
_chemical_formula_sum "K4 Nb6 Cl14 O10"
_cell_length_a 9.65668465
_cell_length_b 9.65668465
_cell_length_c 11.31733892
_cell_angle_alpha 69.91254741
_cell_angle_beta 69.91254741
_cell_angle_gamma 55.54566693999999
_spa... | data_image0
_chemical_formula_structural K4Nb6Cl14O10At
_chemical_formula_sum "K4 Nb6 Cl14 O10 At1"
_cell_length_a 9.65668465
_cell_length_b 9.65668465
_cell_length_c 11.31733892
_cell_angle_alpha 69.91254741
_cell_angle_beta 69.91254741
_cell_angle_gamma 55.54566693999999... |
InsertBetweenAtomsAction | 06fad3d4-aa60-495b-8d52-f2e335e56b47 | mp-2209216 | Insert a Sn atom in the line between atoms at indices 15 and 13, and the inserted atom must be 0.77 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li16Zn4Ge6
_chemical_formula_sum "Li16 Zn4 Ge6"
_cell_length_a 9.14862888
_cell_length_b 9.14862888
_cell_length_c 9.14862899
_cell_angle_alpha 48.211775040000006
_cell_angle_beta 48.211775040000006
_cell_angle_gamma 48.21177448
_s... | data_image0
_chemical_formula_structural Li16Zn4Ge6Sn
_chemical_formula_sum "Li16 Zn4 Ge6 Sn1"
_cell_length_a 9.14862888
_cell_length_b 9.14862888
_cell_length_c 9.14862899
_cell_angle_alpha 48.211775040000006
_cell_angle_beta 48.211775040000006
_cell_angle_gamma 48.211774... |
InsertBetweenAtomsAction | 24279244-b827-4307-829a-1152c9632d00 | mp-1221055 | Insert a Rf atom in the line between atoms at indices 42 and 18, and the inserted atom must be 8.84 angstrom from atom at 42 in the cif file. | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31Rf
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31 Rf1"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 11... |
InsertBetweenAtomsAction | 87b93cd7-c710-4474-ae51-8d863527b006 | mp-850962 | Insert a Nb atom in the line between atoms at indices 47 and 69, and the inserted atom must be 1.75 angstrom from atom at 47 in the cif file. | data_image0
_chemical_formula_structural Li6Fe12Si12O48
_chemical_formula_sum "Li6 Fe12 Si12 O48"
_cell_length_a 10.90735927
_cell_length_b 10.90735927
_cell_length_c 11.848258
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_group_... | data_image0
_chemical_formula_structural Li6Fe12Si12O48Nb
_chemical_formula_sum "Li6 Fe12 Si12 O48 Nb1"
_cell_length_a 10.90735927
_cell_length_b 10.90735927
_cell_length_c 11.848258
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999553999999
_space_... |
InsertBetweenAtomsAction | 3023b01d-2c25-49fd-947e-7b59d55c39ba | mp-1202398 | Insert a Kr atom in the line between atoms at indices 17 and 33, and the inserted atom must be 2.09 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Ge4C16N4Cl12
_chemical_formula_sum "Ge4 C16 N4 Cl12"
_cell_length_a 8.123458
_cell_length_b 8.500134
_cell_length_c 12.085114
_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 Ge4C16N4Cl12Kr
_chemical_formula_sum "Ge4 C16 N4 Cl12 Kr1"
_cell_length_a 8.123458
_cell_length_b 8.500134
_cell_length_c 12.085114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 4e45bdd6-e988-49c4-bfcd-842a556281d1 | mp-1246294 | Insert a Ta atom in the line between atoms at indices 12 and 4, and the inserted atom must be 0.60 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Dy2Mg2Ti2S8
_chemical_formula_sum "Dy2 Mg2 Ti2 S8"
_cell_length_a 7.75151795
_cell_length_b 7.607206660000001
_cell_length_c 7.60030167
_cell_angle_alpha 58.66867511000001
_cell_angle_beta 59.36751187
_cell_angle_gamma 59.34563601
... | data_image0
_chemical_formula_structural Dy2Mg2Ti2S8Ta
_chemical_formula_sum "Dy2 Mg2 Ti2 S8 Ta1"
_cell_length_a 7.75151795
_cell_length_b 7.607206660000001
_cell_length_c 7.60030167
_cell_angle_alpha 58.66867511000001
_cell_angle_beta 59.36751187
_cell_angle_gamma 59.3456... |
InsertBetweenAtomsAction | 280f6dbb-8000-448a-8ee2-659794bfc1c1 | mp-554002 | Insert a Au atom in the line between atoms at indices 9 and 13, and the inserted atom must be 2.37 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Al2H6O6
_chemical_formula_sum "Al2 H6 O6"
_cell_length_a 4.959562
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Al2H6O6Au
_chemical_formula_sum "Al2 H6 O6 Au1"
_cell_length_a 4.959562
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_space_group_nam... |
InsertBetweenAtomsAction | 73e659c2-c125-4f71-bae0-bb1f9b11b4b5 | mp-765804 | Insert a Nb atom in the line between atoms at indices 0 and 6, and the inserted atom must be 1.02 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li6VF8
_chemical_formula_sum "Li6 V1 F8"
_cell_length_a 5.93882439
_cell_length_b 5.93882439
_cell_length_c 5.93882439
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Li6VF8Nb
_chemical_formula_sum "Li6 V1 F8 Nb1"
_cell_length_a 5.93882439
_cell_length_b 5.93882439
_cell_length_c 5.93882439
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
InsertBetweenAtomsAction | dc0e2e39-0fa7-4d26-a715-ef4717758215 | mp-1250606 | Insert a Sc atom in the line between atoms at indices 0 and 39, and the inserted atom must be 0.36 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ca4Al2H20Cl2O16
_chemical_formula_sum "Ca4 Al2 H20 Cl2 O16"
_cell_length_a 10.74289779
_cell_length_b 8.85810288
_cell_length_c 8.85810288
_cell_angle_alpha 41.84762657000001
_cell_angle_beta 100.38471685999998
_cell_angle_gamma 100... | data_image0
_chemical_formula_structural Ca4Al2H20Cl2O16Sc
_chemical_formula_sum "Ca4 Al2 H20 Cl2 O16 Sc1"
_cell_length_a 10.74289779
_cell_length_b 8.85810288
_cell_length_c 8.85810288
_cell_angle_alpha 41.84762657000001
_cell_angle_beta 100.38471685999998
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 517dbc5d-ecd4-40ba-a0ac-64ecb6e6c0d8 | mp-2216235 | Insert a Eu atom in the line between atoms at indices 27 and 40, and the inserted atom must be 9.28 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural MgBi4P8O28
_chemical_formula_sum "Mg1 Bi4 P8 O28"
_cell_length_a 9.23606738
_cell_length_b 5.248148989999999
_cell_length_c 13.60261934
_cell_angle_alpha 89.69533841
_cell_angle_beta 103.8476226
_cell_angle_gamma 90.14299218999999
... | data_image0
_chemical_formula_structural MgBi4P8O28Eu
_chemical_formula_sum "Mg1 Bi4 P8 O28 Eu1"
_cell_length_a 9.23606738
_cell_length_b 5.248148989999999
_cell_length_c 13.60261934
_cell_angle_alpha 89.69533841
_cell_angle_beta 103.8476226
_cell_angle_gamma 90.1429921899... |
InsertBetweenAtomsAction | 2da85081-5703-4a62-ab48-fa3bfe783f76 | mp-554749 | Insert a Tm atom in the line between atoms at indices 65 and 63, and the inserted atom must be 1.13 angstrom from atom at 65 in the cif file. | data_image0
_chemical_formula_structural P18Ir6O54
_chemical_formula_sum "P18 Ir6 O54"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_group_na... | data_image0
_chemical_formula_structural P18Ir6O54Tm
_chemical_formula_sum "P18 Ir6 O54 Tm1"
_cell_length_a 9.33263976
_cell_length_b 10.51496354
_cell_length_c 11.6246022
_cell_angle_alpha 113.40638887
_cell_angle_beta 109.84187317
_cell_angle_gamma 97.87824592
_space_gr... |
InsertBetweenAtomsAction | 63e4e687-5fab-4aba-badc-41d8fd29ab4e | mp-1040209 | Insert a Mc atom in the line between atoms at indices 51 and 28, and the inserted atom must be 4.75 angstrom from atom at 51 in the cif file. | data_image0
_chemical_formula_structural KMg30GaO32
_chemical_formula_sum "K1 Mg30 Ga1 O32"
_cell_length_a 8.606815
_cell_length_b 8.606815
_cell_length_c 8.552012
_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 KMg30GaO32Mc
_chemical_formula_sum "K1 Mg30 Ga1 O32 Mc1"
_cell_length_a 8.606815
_cell_length_b 8.606815
_cell_length_c 8.552012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 914dd9d3-788d-47b6-b19a-eca84f405e5d | mp-19408 | Insert a Nb atom in the line between atoms at indices 16 and 10, and the inserted atom must be 4.54 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Li4V8O20
_chemical_formula_sum "Li4 V8 O20"
_cell_length_a 3.642142
_cell_length_b 9.89108
_cell_length_c 11.118627
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Li4V8O20Nb
_chemical_formula_sum "Li4 V8 O20 Nb1"
_cell_length_a 3.642142
_cell_length_b 9.89108
_cell_length_c 11.118627
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
InsertBetweenAtomsAction | 9160251b-f7eb-461c-8738-37b2ebb5522b | mp-9750 | Insert a Ne atom in the line between atoms at indices 1 and 3, and the inserted atom must be 3.21 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Sb2P2O10
_chemical_formula_sum "Sb2 P2 O10"
_cell_length_a 5.26815699
_cell_length_b 5.268157899999999
_cell_length_c 7.05433983
_cell_angle_alpha 106.36092716
_cell_angle_beta 106.36092178999999
_cell_angle_gamma 99.94077481000001
... | data_image0
_chemical_formula_structural Sb2P2O10Ne
_chemical_formula_sum "Sb2 P2 O10 Ne1"
_cell_length_a 5.26815699
_cell_length_b 5.268157899999999
_cell_length_c 7.05433983
_cell_angle_alpha 106.36092716
_cell_angle_beta 106.36092178999999
_cell_angle_gamma 99.940774810... |
InsertBetweenAtomsAction | a1a1490c-1585-4f86-bc7a-9b086bab348f | mp-1028096 | Insert a Ds atom in the line between atoms at indices 11 and 7, and the inserted atom must be 0.80 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Mg14MnSi
_chemical_formula_sum "Mg14 Mn1 Si1"
_cell_length_a 6.20733672
_cell_length_b 6.20733624
_cell_length_c 10.20989807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000254
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg14MnSiDs
_chemical_formula_sum "Mg14 Mn1 Si1 Ds1"
_cell_length_a 6.20733672
_cell_length_b 6.20733624
_cell_length_c 10.20989807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000254
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | b2f5f3a6-79e5-42fa-9d9a-233f1965bc49 | mp-680113 | Insert a No atom in the line between atoms at indices 27 and 2, and the inserted atom must be 5.57 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Cd11I22
_chemical_formula_sum "Cd11 I22"
_cell_length_a 4.34388855
_cell_length_b 4.34388855
_cell_length_c 81.037434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000844999998
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd11I22No
_chemical_formula_sum "Cd11 I22 No1"
_cell_length_a 4.34388855
_cell_length_b 4.34388855
_cell_length_c 81.037434
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000844999998
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | cf18bc0f-5533-449b-baa0-94e9a4e5abd0 | mp-729907 | Insert a Pb atom in the line between atoms at indices 4 and 45, and the inserted atom must be 1.71 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural NiH48C16S8N2O14
_chemical_formula_sum "Ni1 H48 C16 S8 N2 O14"
_cell_length_a 9.869812
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_angle_beta 109.69344817
_cell_angle_gamma ... | data_image0
_chemical_formula_structural NiH48C16S8N2O14Pb
_chemical_formula_sum "Ni1 H48 C16 S8 N2 O14 Pb1"
_cell_length_a 9.869812
_cell_length_b 10.48013754
_cell_length_c 11.416248020000001
_cell_angle_alpha 116.00684819999996
_cell_angle_beta 109.69344817
_cell_angle_gam... |
InsertBetweenAtomsAction | 0ae7c9ef-26d5-4177-9a3e-d6291bdc34cd | mp-622785 | Insert a Ds atom in the line between atoms at indices 21 and 47, and the inserted atom must be 2.98 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Fe16S16N16O16
_chemical_formula_sum "Fe16 S16 N16 O16"
_cell_length_a 10.435039
_cell_length_b 11.217004
_cell_length_c 15.292553349999999
_cell_angle_alpha 58.19865374999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Fe16S16N16O16Ds
_chemical_formula_sum "Fe16 S16 N16 O16 Ds1"
_cell_length_a 10.435039
_cell_length_b 11.217004
_cell_length_c 15.292553349999999
_cell_angle_alpha 58.19865374999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spac... |
InsertBetweenAtomsAction | 41e753ea-b725-4296-8459-426869fc609c | mp-1207874 | Insert a Os atom in the line between atoms at indices 16 and 27, and the inserted atom must be 0.91 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Y6Si7Ni16
_chemical_formula_sum "Y6 Si7 Ni16"
_cell_length_a 8.3055221
_cell_length_b 8.3055221
_cell_length_c 8.3055221
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... | data_image0
_chemical_formula_structural Y6Si7Ni16Os
_chemical_formula_sum "Y6 Si7 Ni16 Os1"
_cell_length_a 8.3055221
_cell_length_b 8.3055221
_cell_length_c 8.3055221
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
InsertBetweenAtomsAction | 405e3b07-85b4-42e9-8cc8-fe63713980a2 | mp-11609 | Insert a Pt atom in the line between atoms at indices 5 and 0, and the inserted atom must be 4.29 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4Pt
_chemical_formula_sum "Sb2 Mo4 S4 Pt1"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | b502f348-d92a-4f7e-9b20-c60810f78af2 | mp-861612 | Insert a Ga atom in the line between atoms at indices 9 and 17, and the inserted atom must be 4.32 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Cr2Fe2P4O16
_chemical_formula_sum "Cr2 Fe2 P4 O16"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cr2Fe2P4O16Ga
_chemical_formula_sum "Cr2 Fe2 P4 O16 Ga1"
_cell_length_a 5.848363
_cell_length_b 4.837312
_cell_length_c 9.9654035
_cell_angle_alpha 88.98505063
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 0ab86ac2-1889-4235-b601-a5416302b81c | mp-661715 | Insert a Md atom in the line between atoms at indices 13 and 17, and the inserted atom must be 2.84 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Ti2S2Cl12O2
_chemical_formula_sum "Ti2 S2 Cl12 O2"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_group_... | data_image0
_chemical_formula_structural Ti2S2Cl12O2Md
_chemical_formula_sum "Ti2 S2 Cl12 O2 Md1"
_cell_length_a 6.632096
_cell_length_b 8.1887806
_cell_length_c 11.22515027
_cell_angle_alpha 108.50382951
_cell_angle_beta 91.38155874
_cell_angle_gamma 113.71642866
_space_... |
InsertBetweenAtomsAction | 6afdd506-af8b-464a-ac96-cd4e9ae66fc6 | mp-28730 | Insert a Lv atom in the line between atoms at indices 36 and 35, and the inserted atom must be 10.31 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural In28Cl36
_chemical_formula_sum "In28 Cl36"
_cell_length_a 12.2317628
_cell_length_b 12.2317628
_cell_length_c 12.2317628
_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 In28Cl36Lv
_chemical_formula_sum "In28 Cl36 Lv1"
_cell_length_a 12.2317628
_cell_length_b 12.2317628
_cell_length_c 12.2317628
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 059a4f09-3f7c-49c3-a013-09f746eca958 | mp-1245687 | Insert a Ca atom in the line between atoms at indices 29 and 34, and the inserted atom must be 4.21 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Ta16Te12N8
_chemical_formula_sum "Ta16 Te12 N8"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_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 Ta16Te12N8Ca
_chemical_formula_sum "Ta16 Te12 N8 Ca1"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 970ed988-9e88-4f50-8d53-41bf0218dfa4 | mp-1033461 | Insert a Am atom in the line between atoms at indices 6 and 3, and the inserted atom must be 2.98 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural BaMg6CrO8
_chemical_formula_sum "Ba1 Mg6 Cr1 O8"
_cell_length_a 8.75022402
_cell_length_b 4.70931995
_cell_length_c 4.70931995
_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 BaMg6CrO8Am
_chemical_formula_sum "Ba1 Mg6 Cr1 O8 Am1"
_cell_length_a 8.75022402
_cell_length_b 4.70931995
_cell_length_c 4.70931995
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 984d8b96-f8f4-47c3-917b-a0cf0fd92ca8 | mp-1223543 | Insert a Ne atom in the line between atoms at indices 38 and 9, and the inserted atom must be 5.12 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural K4H12Se8O24
_chemical_formula_sum "K4 H12 Se8 O24"
_cell_length_a 6.438519
_cell_length_b 6.476977
_cell_length_c 16.205754
_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 K4H12Se8O24Ne
_chemical_formula_sum "K4 H12 Se8 O24 Ne1"
_cell_length_a 6.438519
_cell_length_b 6.476977
_cell_length_c 16.205754
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
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