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 | ac6f2d5f-892a-4362-8388-4eda74db3dae | mp-558681 | Insert a As atom in the line between atoms at indices 27 and 20, and the inserted atom must be 2.87 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_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 P8Cl8O8F16As
_chemical_formula_sum "P8 Cl8 O8 F16 As1"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 1f9e27f4-9662-4347-a5ca-c3f537bb99ab | mp-1214888 | Insert a Sg atom in the line between atoms at indices 25 and 2, and the inserted atom must be 3.47 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... | data_image0
_chemical_formula_structural AlZn2SbH12O12Sg
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12 Sg1"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_grou... |
InsertBetweenAtomsAction | 6e4d1dc5-f21a-49ee-9e87-4894c017cf43 | mp-757167 | Insert a In atom in the line between atoms at indices 41 and 45, and the inserted atom must be 4.59 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural Li12Si6Ni6O24
_chemical_formula_sum "Li12 Si6 Ni6 O24"
_cell_length_a 5.01778106
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle_gamma 89.993... | data_image0
_chemical_formula_structural Li12Si6Ni6O24In
_chemical_formula_sum "Li12 Si6 Ni6 O24 In1"
_cell_length_a 5.01778106
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 1dfad64b-01a8-4f2e-b876-89e745924559 | mp-1037899 | Insert a Ta atom in the line between atoms at indices 9 and 1, and the inserted atom must be 3.62 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural CaMg30NbO32
_chemical_formula_sum "Ca1 Mg30 Nb1 O32"
_cell_length_a 8.5899102
_cell_length_b 8.59776736
_cell_length_c 8.59776736
_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 CaMg30NbO32Ta
_chemical_formula_sum "Ca1 Mg30 Nb1 O32 Ta1"
_cell_length_a 8.5899102
_cell_length_b 8.59776736
_cell_length_c 8.59776736
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 0e76fc01-1b1c-49c5-9b8d-e862ba3f5112 | mp-1041312 | Insert a La atom in the line between atoms at indices 9 and 4, and the inserted atom must be 3.40 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural BaMn4O8
_chemical_formula_sum "Ba1 Mn4 O8"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaMn4O8La
_chemical_formula_sum "Ba1 Mn4 O8 La1"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | e9e93869-6194-4c4b-80dc-f5fd63100966 | mp-1027815 | Insert a Dy atom in the line between atoms at indices 11 and 7, and the inserted atom must be 2.15 angstrom from atom at 11 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 KMg14CoDy
_chemical_formula_sum "K1 Mg14 Co1 Dy1"
_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 | 234e796a-057f-4544-adb8-dac679d4ce1f | mp-1188970 | Insert a Te atom in the line between atoms at indices 2 and 10, and the inserted atom must be 1.69 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Cs2CdFeC6N6
_chemical_formula_sum "Cs2 Cd1 Fe1 C6 N6"
_cell_length_a 7.63005128
_cell_length_b 7.630051280000001
_cell_length_c 7.630051280000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Cs2CdFeC6N6Te
_chemical_formula_sum "Cs2 Cd1 Fe1 C6 N6 Te1"
_cell_length_a 7.63005128
_cell_length_b 7.630051280000001
_cell_length_c 7.630051280000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_... |
InsertBetweenAtomsAction | 5ea870d5-3c03-4edc-8189-cefe988193e8 | mp-1216279 | Insert a Os atom in the line between atoms at indices 9 and 17, and the inserted atom must be 1.55 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Y6Ga17Pt5
_chemical_formula_sum "Y6 Ga17 Pt5"
_cell_length_a 8.11900182
_cell_length_b 8.11900182
_cell_length_c 15.63976875
_cell_angle_alpha 77.19919537
_cell_angle_beta 77.19919537
_cell_angle_gamma 31.01343326
_space_group_name... | data_image0
_chemical_formula_structural Y6Ga17Pt5Os
_chemical_formula_sum "Y6 Ga17 Pt5 Os1"
_cell_length_a 8.11900182
_cell_length_b 8.11900182
_cell_length_c 15.63976875
_cell_angle_alpha 77.19919537
_cell_angle_beta 77.19919537
_cell_angle_gamma 31.01343326
_space_grou... |
InsertBetweenAtomsAction | 32e0ca4f-acb5-49f5-8a73-8d51958a3c90 | mp-1247128 | Insert a Fr atom in the line between atoms at indices 9 and 3, and the inserted atom must be 0.54 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural SmMg2Cr3S8
_chemical_formula_sum "Sm1 Mg2 Cr3 S8"
_cell_length_a 7.47872266
_cell_length_b 7.49320347
_cell_length_c 7.493654620000001
_cell_angle_alpha 58.93402922
_cell_angle_beta 58.83723436
_cell_angle_gamma 58.83750572999999
_... | data_image0
_chemical_formula_structural SmMg2Cr3S8Fr
_chemical_formula_sum "Sm1 Mg2 Cr3 S8 Fr1"
_cell_length_a 7.47872266
_cell_length_b 7.49320347
_cell_length_c 7.493654620000001
_cell_angle_alpha 58.93402922
_cell_angle_beta 58.83723436
_cell_angle_gamma 58.83750572999... |
InsertBetweenAtomsAction | 43c5f180-1661-42cb-a348-a44c344cfb2b | mp-1349418 | Insert a Mn atom in the line between atoms at indices 8 and 18, and the inserted atom must be 1.11 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Mg4Mo12O28
_chemical_formula_sum "Mg4 Mo12 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_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 Mg4Mo12O28Mn
_chemical_formula_sum "Mg4 Mo12 O28 Mn1"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 79350f1e-0a17-49fe-9f0c-faf7509e7de4 | mp-1222315 | Insert a Og atom in the line between atoms at indices 1 and 4, and the inserted atom must be 3.05 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural LiLaTi2O6
_chemical_formula_sum "Li1 La1 Ti2 O6"
_cell_length_a 5.50131621
_cell_length_b 5.50131621
_cell_length_c 5.50131621
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural LiLaTi2O6Og
_chemical_formula_sum "Li1 La1 Ti2 O6 Og1"
_cell_length_a 5.50131621
_cell_length_b 5.50131621
_cell_length_c 5.50131621
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
InsertBetweenAtomsAction | 2597ebfc-ad0a-443f-9e39-9d3963ca38f6 | mp-556015 | Insert a Bh atom in the line between atoms at indices 5 and 4, and the inserted atom must be 2.58 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Dy18Sb10O10
_chemical_formula_sum "Dy18 Sb10 O10"
_cell_length_a 9.875127
_cell_length_b 9.875127
_cell_length_c 8.87761
_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 Dy18Sb10O10Bh
_chemical_formula_sum "Dy18 Sb10 O10 Bh1"
_cell_length_a 9.875127
_cell_length_b 9.875127
_cell_length_c 8.87761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | a605b176-983b-48bd-a196-3ef6db588612 | mp-730460 | Insert a Kr atom in the line between atoms at indices 39 and 6, and the inserted atom must be 3.30 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Na10H6C8O24
_chemical_formula_sum "Na10 H6 C8 O24"
_cell_length_a 3.40453221
_cell_length_b 9.99076164
_cell_length_c 15.456632970000001
_cell_angle_alpha 107.73262794999998
_cell_angle_beta 95.45983126000002
_cell_angle_gamma 94.88... | data_image0
_chemical_formula_structural Na10H6C8O24Kr
_chemical_formula_sum "Na10 H6 C8 O24 Kr1"
_cell_length_a 3.40453221
_cell_length_b 9.99076164
_cell_length_c 15.456632970000001
_cell_angle_alpha 107.73262794999998
_cell_angle_beta 95.45983126000002
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 7ebb7eab-f770-4288-acd7-4b9435df50db | mp-19484 | Insert a Ds atom in the line between atoms at indices 40 and 9, and the inserted atom must be 0.60 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_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 Ba4Ca4V8O28Ds
_chemical_formula_sum "Ba4 Ca4 V8 O28 Ds1"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | fa0726e4-e29c-4ded-a177-f26ab2213c16 | mp-1376216 | Insert a P atom in the line between atoms at indices 18 and 1, and the inserted atom must be 1.85 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Mg4V8O16P
_chemical_formula_sum "Mg4 V8 O16 P1"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 | f65f1f8e-bfd5-40af-8d4e-d20941996820 | mp-1045114 | Insert a Bh atom in the line between atoms at indices 13 and 8, and the inserted atom must be 3.69 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_g... | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16Bh
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16 Bh1"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_s... |
InsertBetweenAtomsAction | 3c64d743-7155-4afd-8d69-0ac591353fef | mp-758643 | Insert a Rg atom in the line between atoms at indices 31 and 21, and the inserted atom must be 1.60 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural V4C8O24
_chemical_formula_sum "V4 C8 O24"
_cell_length_a 7.134126
_cell_length_b 7.605943
_cell_length_c 9.237958
_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_I... | data_image0
_chemical_formula_structural V4C8O24Rg
_chemical_formula_sum "V4 C8 O24 Rg1"
_cell_length_a 7.134126
_cell_length_b 7.605943
_cell_length_c 9.237958
_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... |
InsertBetweenAtomsAction | 11bd834a-3eef-4bdd-bb25-a9954ac4ce28 | mp-6606 | Insert a Hg atom in the line between atoms at indices 5 and 4, and the inserted atom must be 3.84 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Sr2Y2Si8N14
_chemical_formula_sum "Sr2 Y2 Si8 N14"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_group_na... | data_image0
_chemical_formula_structural Sr2Y2Si8N14Hg
_chemical_formula_sum "Sr2 Y2 Si8 N14 Hg1"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_gr... |
InsertBetweenAtomsAction | d9f120d7-3741-4b02-99e3-e8e418806a4b | mp-1245698 | Insert a Sn atom in the line between atoms at indices 4 and 13, and the inserted atom must be 1.01 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Zn4Cr4N8
_chemical_formula_sum "Zn4 Cr4 N8"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 5.232644
_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 Zn4Cr4N8Sn
_chemical_formula_sum "Zn4 Cr4 N8 Sn1"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 5.232644
_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 | 48341f0e-25ff-4b36-8b8f-e41550dbaa16 | mp-625941 | Insert a Fm atom in the line between atoms at indices 2 and 11, and the inserted atom must be 0.87 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural TeH6O6
_chemical_formula_sum "Te1 H6 O6"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... | data_image0
_chemical_formula_structural TeH6O6Fm
_chemical_formula_sum "Te1 H6 O6 Fm1"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599... |
InsertBetweenAtomsAction | b54e7235-9308-4a1d-9382-304037374310 | mp-777836 | Insert a Sb atom in the line between atoms at indices 43 and 52, and the inserted atom must be 2.49 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural Li14Co13O28
_chemical_formula_sum "Li14 Co13 O28"
_cell_length_a 7.499182
_cell_length_b 8.05935355
_cell_length_c 8.55269923
_cell_angle_alpha 102.77987539999998
_cell_angle_beta 104.52860817999999
_cell_angle_gamma 105.43692013
_... | data_image0
_chemical_formula_structural Li14Co13O28Sb
_chemical_formula_sum "Li14 Co13 O28 Sb1"
_cell_length_a 7.499182
_cell_length_b 8.05935355
_cell_length_c 8.55269923
_cell_angle_alpha 102.77987539999998
_cell_angle_beta 104.52860817999999
_cell_angle_gamma 105.43692... |
InsertBetweenAtomsAction | de6f7287-f788-4ea2-bf1f-ff1997c5b418 | mp-570405 | Insert a Na atom in the line between atoms at indices 30 and 52, and the inserted atom must be 3.35 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Ti4Hg24P16Cl28
_chemical_formula_sum "Ti4 Hg24 P16 Cl28"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_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 Ti4Hg24P16Cl28Na
_chemical_formula_sum "Ti4 Hg24 P16 Cl28 Na1"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | e168775c-2406-4999-9e2d-eb45eeba3e05 | mp-1111469 | Insert a Se atom in the line between atoms at indices 0 and 1, and the inserted atom must be 2.69 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Rb2AgAuCl6
_chemical_formula_sum "Rb2 Ag1 Au1 Cl6"
_cell_length_a 7.30836578
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Rb2AgAuCl6Se
_chemical_formula_sum "Rb2 Ag1 Au1 Cl6 Se1"
_cell_length_a 7.30836578
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
InsertBetweenAtomsAction | 24650e09-25b8-41f7-aa56-8985a18781f6 | mp-1202046 | Insert a Na atom in the line between atoms at indices 31 and 6, and the inserted atom must be 5.05 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Sr8P4I4O16
_chemical_formula_sum "Sr8 P4 I4 O16"
_cell_length_a 9.019828
_cell_length_b 8.540954
_cell_length_c 9.22496142
_cell_angle_alpha 67.48799209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sr8P4I4O16Na
_chemical_formula_sum "Sr8 P4 I4 O16 Na1"
_cell_length_a 9.019828
_cell_length_b 8.540954
_cell_length_c 9.22496142
_cell_angle_alpha 67.48799209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 333f7661-5f90-4dae-82fe-3961936d6c63 | mp-1203429 | Insert a Au atom in the line between atoms at indices 9 and 18, and the inserted atom must be 2.54 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Tm8B24Os4
_chemical_formula_sum "Tm8 B24 Os4"
_cell_length_a 3.61183316
_cell_length_b 9.05426635
_cell_length_c 11.41713141
_cell_angle_alpha 90.00000214
_cell_angle_beta 90.00000165
_cell_angle_gamma 89.99999971
_space_group_name... | data_image0
_chemical_formula_structural Tm8B24Os4Au
_chemical_formula_sum "Tm8 B24 Os4 Au1"
_cell_length_a 3.61183316
_cell_length_b 9.05426635
_cell_length_c 11.41713141
_cell_angle_alpha 90.00000214
_cell_angle_beta 90.00000165
_cell_angle_gamma 89.99999971
_space_grou... |
InsertBetweenAtomsAction | 211ed0fc-44f3-4fd6-9fbc-69bacf94f761 | mp-1074916 | Insert a Rb atom in the line between atoms at indices 0 and 6, and the inserted atom must be 4.50 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Mg14Si8
_chemical_formula_sum "Mg14 Si8"
_cell_length_a 4.510152
_cell_length_b 6.18780927
_cell_length_c 15.49498043
_cell_angle_alpha 93.37384975000002
_cell_angle_beta 91.72385019000001
_cell_angle_gamma 90.04907515
_space_group... | data_image0
_chemical_formula_structural Mg14Si8Rb
_chemical_formula_sum "Mg14 Si8 Rb1"
_cell_length_a 4.510152
_cell_length_b 6.18780927
_cell_length_c 15.49498043
_cell_angle_alpha 93.37384975000002
_cell_angle_beta 91.72385019000001
_cell_angle_gamma 90.04907515
_space... |
InsertBetweenAtomsAction | 780d2ac8-bac7-476e-82f6-6cfb7cf175b3 | mp-1233723 | Insert a Tb atom in the line between atoms at indices 31 and 27, and the inserted atom must be 4.02 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural MgAlBi12O20
_chemical_formula_sum "Mg1 Al1 Bi12 O20"
_cell_length_a 8.99253013
_cell_length_b 8.98975872
_cell_length_c 8.98900456
_cell_angle_alpha 108.47524051
_cell_angle_beta 108.55081522000002
_cell_angle_gamma 108.60741344
_s... | data_image0
_chemical_formula_structural MgAlBi12O20Tb
_chemical_formula_sum "Mg1 Al1 Bi12 O20 Tb1"
_cell_length_a 8.99253013
_cell_length_b 8.98975872
_cell_length_c 8.98900456
_cell_angle_alpha 108.47524051
_cell_angle_beta 108.55081522000002
_cell_angle_gamma 108.607413... |
InsertBetweenAtomsAction | d2096727-1de4-4eda-bda1-dbb445e60b81 | mp-703316 | Insert a Bh atom in the line between atoms at indices 23 and 39, and the inserted atom must be 5.27 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural La4Mg8H28
_chemical_formula_sum "La4 Mg8 H28"
_cell_length_a 6.33773359
_cell_length_b 6.33773359
_cell_length_c 9.5362298
_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 La4Mg8H28Bh
_chemical_formula_sum "La4 Mg8 H28 Bh1"
_cell_length_a 6.33773359
_cell_length_b 6.33773359
_cell_length_c 9.5362298
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | b8d70135-0412-4e46-8ef2-571adc428671 | mp-1202826 | Insert a Db atom in the line between atoms at indices 9 and 24, and the inserted atom must be 2.91 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Gd8U4S20
_chemical_formula_sum "Gd8 U4 S20"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_space_g... | data_image0
_chemical_formula_structural Gd8U4S20Db
_chemical_formula_sum "Gd8 U4 S20 Db1"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_s... |
InsertBetweenAtomsAction | 22705134-a6b5-4852-86bb-775d25b51ccf | mp-1210721 | Insert a Kr atom in the line between atoms at indices 16 and 3, and the inserted atom must be 5.63 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Nd4Cr8O8
_chemical_formula_sum "Nd4 Cr8 O8"
_cell_length_a 8.0100726
_cell_length_b 8.010072599999999
_cell_length_c 8.0100726
_cell_angle_alpha 112.69276483000002
_cell_angle_beta 112.69276483
_cell_angle_gamma 103.20412211
_space... | data_image0
_chemical_formula_structural Nd4Cr8O8Kr
_chemical_formula_sum "Nd4 Cr8 O8 Kr1"
_cell_length_a 8.0100726
_cell_length_b 8.010072599999999
_cell_length_c 8.0100726
_cell_angle_alpha 112.69276483000002
_cell_angle_beta 112.69276483
_cell_angle_gamma 103.20412211
... |
InsertBetweenAtomsAction | b1836927-482a-464a-8f42-f7c0927c61cf | mp-866810 | Insert a Th atom in the line between atoms at indices 12 and 9, and the inserted atom must be 2.85 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ca4Sn2S8
_chemical_formula_sum "Ca4 Sn2 S8"
_cell_length_a 6.18460896
_cell_length_b 6.18460896
_cell_length_c 9.736881
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.59572336999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca4Sn2S8Th
_chemical_formula_sum "Ca4 Sn2 S8 Th1"
_cell_length_a 6.18460896
_cell_length_b 6.18460896
_cell_length_c 9.736881
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.59572336999999
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | fa1854f9-ac46-4555-a8c0-430a43a94130 | mp-1104734 | Insert a Nb atom in the line between atoms at indices 0 and 10, and the inserted atom must be 1.77 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Te2Br12
_chemical_formula_sum "Te2 Br12"
_cell_length_a 7.428041
_cell_length_b 7.428041
_cell_length_c 11.0806
_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_... | data_image0
_chemical_formula_structural Te2Br12Nb
_chemical_formula_sum "Te2 Br12 Nb1"
_cell_length_a 7.428041
_cell_length_b 7.428041
_cell_length_c 11.0806
_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... |
InsertBetweenAtomsAction | bd44c6e0-66c3-496f-a616-4b369fb3066c | mp-1234724 | Insert a Ds atom in the line between atoms at indices 17 and 28, and the inserted atom must be 4.99 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural MgCo4Te8O20
_chemical_formula_sum "Mg1 Co4 Te8 O20"
_cell_length_a 7.21797646
_cell_length_b 10.99906875
_cell_length_c 6.31252205
_cell_angle_alpha 93.50586638
_cell_angle_beta 89.91877175
_cell_angle_gamma 88.66718852
_space_grou... | data_image0
_chemical_formula_structural MgCo4Te8O20Ds
_chemical_formula_sum "Mg1 Co4 Te8 O20 Ds1"
_cell_length_a 7.21797646
_cell_length_b 10.99906875
_cell_length_c 6.31252205
_cell_angle_alpha 93.50586638
_cell_angle_beta 89.91877175
_cell_angle_gamma 88.66718852
_spac... |
InsertBetweenAtomsAction | aa7a9442-a903-4d0a-b00f-96c0d4ea899f | mp-1101228 | Insert a P atom in the line between atoms at indices 17 and 7, and the inserted atom must be 4.72 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural V4F18
_chemical_formula_sum "V4 F18"
_cell_length_a 5.15948158
_cell_length_b 5.15948158
_cell_length_c 14.418455
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999463999998
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural V4F18P
_chemical_formula_sum "V4 F18 P1"
_cell_length_a 5.15948158
_cell_length_b 5.15948158
_cell_length_c 14.418455
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999463999998
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 64bcd906-86db-4aa5-a702-9c0cec21b571 | mp-1104537 | Insert a Mc atom in the line between atoms at indices 12 and 5, and the inserted atom must be 1.71 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural NdAl8Cr4
_chemical_formula_sum "Nd1 Al8 Cr4"
_cell_length_a 5.060121
_cell_length_b 6.84892539
_cell_length_c 6.84892539
_cell_angle_alpha 82.15673342
_cell_angle_beta 68.32076968
_cell_angle_gamma 68.32076968
_space_group_name_H-M... | data_image0
_chemical_formula_structural NdAl8Cr4Mc
_chemical_formula_sum "Nd1 Al8 Cr4 Mc1"
_cell_length_a 5.060121
_cell_length_b 6.84892539
_cell_length_c 6.84892539
_cell_angle_alpha 82.15673342
_cell_angle_beta 68.32076968
_cell_angle_gamma 68.32076968
_space_group_na... |
InsertBetweenAtomsAction | 96e8ec08-f750-46f7-b54f-b9c48853047c | mp-545706 | Insert a Re atom in the line between atoms at indices 4 and 8, and the inserted atom must be 1.12 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ca3Cu2Br2O4
_chemical_formula_sum "Ca3 Cu2 Br2 O4"
_cell_length_a 12.26960226
_cell_length_b 12.26960226
_cell_length_c 12.26960226
_cell_angle_alpha 161.80740200000002
_cell_angle_beta 161.80740200000002
_cell_angle_gamma 25.838674... | data_image0
_chemical_formula_structural Ca3Cu2Br2O4Re
_chemical_formula_sum "Ca3 Cu2 Br2 O4 Re1"
_cell_length_a 12.26960226
_cell_length_b 12.26960226
_cell_length_c 12.26960226
_cell_angle_alpha 161.80740200000002
_cell_angle_beta 161.80740200000002
_cell_angle_gamma 25.... |
InsertBetweenAtomsAction | 1021f075-b191-4a3f-81e5-4b20809c8e8d | mp-1191832 | Insert a Al atom in the line between atoms at indices 2 and 1, and the inserted atom must be 2.19 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 Na2Mo8O12Al
_chemical_formula_sum "Na2 Mo8 O12 Al1"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 | 3141d1e3-8cdc-426d-b49b-7648bf3008ff | mp-754658 | Insert a Cr atom in the line between atoms at indices 14 and 8, and the inserted atom must be 0.81 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Te4O12
_chemical_formula_sum "Te4 O12"
_cell_length_a 5.12838914
_cell_length_b 4.80121244
_cell_length_c 8.3421979
_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 Te4O12Cr
_chemical_formula_sum "Te4 O12 Cr1"
_cell_length_a 5.12838914
_cell_length_b 4.80121244
_cell_length_c 8.3421979
_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 | 4b3ecb8e-ce72-4c1d-97f8-02eadd06d8e6 | mp-17822 | Insert a Tb atom in the line between atoms at indices 29 and 3, and the inserted atom must be 4.43 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... | data_image0
_chemical_formula_structural Dy8Mo4O24Tb
_chemical_formula_sum "Dy8 Mo4 O24 Tb1"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space... |
InsertBetweenAtomsAction | 4af008b4-8348-4e37-91e1-c4c8190b132d | mp-1026735 | Insert a Fr atom in the line between atoms at indices 9 and 1, and the inserted atom must be 0.43 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural CeMg14Sb
_chemical_formula_sum "Ce1 Mg14 Sb1"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 10.55270559
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural CeMg14SbFr
_chemical_formula_sum "Ce1 Mg14 Sb1 Fr1"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 10.55270559
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_name_... |
InsertBetweenAtomsAction | 7e783e60-d567-4b7b-8aa2-c27f29a0ce6f | mp-558603 | Insert a O atom in the line between atoms at indices 5 and 8, and the inserted atom must be 6.79 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural K4Si8O18
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... | data_image0
_chemical_formula_structural K4Si8O19
_chemical_formula_sum "K4 Si8 O19"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... |
InsertBetweenAtomsAction | 3c20bd5f-367c-4b51-9ccd-d42d0111c166 | mp-754012 | Insert a He atom in the line between atoms at indices 10 and 4, and the inserted atom must be 1.89 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Mn2C4O12
_chemical_formula_sum "Mn2 C4 O12"
_cell_length_a 4.66888862
_cell_length_b 11.27689333
_cell_length_c 4.668973390000001
_cell_angle_alpha 78.05049791
_cell_angle_beta 120.0022389
_cell_angle_gamma 90.00444884
_space_group... | data_image0
_chemical_formula_structural Mn2C4O12He
_chemical_formula_sum "Mn2 C4 O12 He1"
_cell_length_a 4.66888862
_cell_length_b 11.27689333
_cell_length_c 4.668973390000001
_cell_angle_alpha 78.05049791
_cell_angle_beta 120.0022389
_cell_angle_gamma 90.00444884
_space... |
InsertBetweenAtomsAction | 5f4d80ac-cd02-445f-b4fe-7a0a4de494d6 | mp-1026930 | Insert a Nh atom in the line between atoms at indices 7 and 1, and the inserted atom must be 9.27 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Te2MoW3Se2S4
_chemical_formula_sum "Te2 Mo1 W3 Se2 S4"
_cell_length_a 3.3083593
_cell_length_b 3.3083593000000002
_cell_length_c 37.684738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998606000001
_space_gro... | data_image0
_chemical_formula_structural Te2MoW3Se2S4Nh
_chemical_formula_sum "Te2 Mo1 W3 Se2 S4 Nh1"
_cell_length_a 3.3083593
_cell_length_b 3.3083593000000002
_cell_length_c 37.684738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998606000001
_spa... |
InsertBetweenAtomsAction | 1576207a-08bc-4a4f-a1bc-0d82f74558ad | mp-1041539 | Insert a Cf atom in the line between atoms at indices 5 and 11, and the inserted atom must be 2.06 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ti4Zn2O8
_chemical_formula_sum "Ti4 Zn2 O8"
_cell_length_a 6.1031153
_cell_length_b 6.103115300000001
_cell_length_c 6.1031153
_cell_angle_alpha 121.13934974
_cell_angle_beta 119.7363984
_cell_angle_gamma 89.24758957
_space_group_n... | data_image0
_chemical_formula_structural Ti4Zn2O8Cf
_chemical_formula_sum "Ti4 Zn2 O8 Cf1"
_cell_length_a 6.1031153
_cell_length_b 6.103115300000001
_cell_length_c 6.1031153
_cell_angle_alpha 121.13934974
_cell_angle_beta 119.7363984
_cell_angle_gamma 89.24758957
_space_g... |
InsertBetweenAtomsAction | 28215db2-d736-443c-8311-96a7b0bbed33 | mp-543011 | Insert a Fl atom in the line between atoms at indices 8 and 7, and the inserted atom must be 9.83 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Zn7S7
_chemical_formula_sum "Zn7 S7"
_cell_length_a 22.15738029
_cell_length_b 22.15738029
_cell_length_c 22.15738081
_cell_angle_alpha 9.99203003000004
_cell_angle_beta 9.992030030000002
_cell_angle_gamma 9.992031460000021
_space_... | data_image0
_chemical_formula_structural Zn7S7Fl
_chemical_formula_sum "Zn7 S7 Fl1"
_cell_length_a 22.15738029
_cell_length_b 22.15738029
_cell_length_c 22.15738081
_cell_angle_alpha 9.99203003000004
_cell_angle_beta 9.992030030000002
_cell_angle_gamma 9.992031460000021
_... |
InsertBetweenAtomsAction | 8fbac51d-96f8-4372-8aa1-81323a4ef886 | mp-1029915 | Insert a Ge atom in the line between atoms at indices 18 and 2, and the inserted atom must be 1.28 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Ca8Sn4N8
_chemical_formula_sum "Ca8 Sn4 N8"
_cell_length_a 6.19494953
_cell_length_b 6.19494953
_cell_length_c 12.130428
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.08566149
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ca8Sn4N8Ge
_chemical_formula_sum "Ca8 Sn4 N8 Ge1"
_cell_length_a 6.19494953
_cell_length_b 6.19494953
_cell_length_c 12.130428
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.08566149
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 851f7e0f-d0d1-4d56-9c50-bd9be2f906c7 | mp-760977 | Insert a Es atom in the line between atoms at indices 12 and 0, and the inserted atom must be 1.28 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 4.68898674
_cell_length_b 4.68906755
_cell_length_c 9.283474999999997
_cell_angle_alpha 90.00154264
_cell_angle_beta 89.99872225
_cell_angle_gamma 89.21634516
_space_group_... | data_image0
_chemical_formula_structural Ni6O2F10Es
_chemical_formula_sum "Ni6 O2 F10 Es1"
_cell_length_a 4.68898674
_cell_length_b 4.68906755
_cell_length_c 9.283474999999997
_cell_angle_alpha 90.00154264
_cell_angle_beta 89.99872225
_cell_angle_gamma 89.21634516
_space_... |
InsertBetweenAtomsAction | bf591360-0d64-4960-9356-b63607544da9 | mp-1209044 | Insert a Rg atom in the line between atoms at indices 13 and 16, and the inserted atom must be 1.18 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Sc20Sb12
_chemical_formula_sum "Sc20 Sb12"
_cell_length_a 7.61616863
_cell_length_b 8.76414466
_cell_length_c 11.17943473
_cell_angle_alpha 90.0
_cell_angle_beta 90.00107002
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sc20Sb12Rg
_chemical_formula_sum "Sc20 Sb12 Rg1"
_cell_length_a 7.61616863
_cell_length_b 8.76414466
_cell_length_c 11.17943473
_cell_angle_alpha 90.0
_cell_angle_beta 90.00107002
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 8a4a60ce-57aa-48b7-b792-58fbafe025d5 | mp-675770 | Insert a P atom in the line between atoms at indices 14 and 0, and the inserted atom must be 2.61 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Nd3U2O10
_chemical_formula_sum "Nd3 U2 O10"
_cell_length_a 6.5796035
_cell_length_b 6.5796035
_cell_length_c 8.478072710000001
_cell_angle_alpha 51.801004170000006
_cell_angle_beta 51.801004170000006
_cell_angle_gamma 49.08860705999... | data_image0
_chemical_formula_structural Nd3U2O10P
_chemical_formula_sum "Nd3 U2 O10 P1"
_cell_length_a 6.5796035
_cell_length_b 6.5796035
_cell_length_c 8.478072710000001
_cell_angle_alpha 51.801004170000006
_cell_angle_beta 51.801004170000006
_cell_angle_gamma 49.0886070... |
InsertBetweenAtomsAction | 1f83a71c-5bb1-4239-b955-2a704fec6ec6 | mp-1147737 | Insert a Be atom in the line between atoms at indices 13 and 9, and the inserted atom must be 2.55 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... | data_image0
_chemical_formula_structural Li4ZnP2S8Be
_chemical_formula_sum "Li4 Zn1 P2 S8 Be1"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_spa... |
InsertBetweenAtomsAction | ff1c628d-cedb-4b79-b13e-e998f72cf371 | mp-693620 | Insert a Br atom in the line between atoms at indices 17 and 80, and the inserted atom must be 1.24 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural K2Ca4Be4Al2Si24O60
_chemical_formula_sum "K2 Ca4 Be4 Al2 Si24 O60"
_cell_length_a 10.47966448
_cell_length_b 10.47966448
_cell_length_c 14.094663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96705842
_space_gr... | data_image0
_chemical_formula_structural K2Ca4Be4Al2Si24O60Br
_chemical_formula_sum "K2 Ca4 Be4 Al2 Si24 O60 Br1"
_cell_length_a 10.47966448
_cell_length_b 10.47966448
_cell_length_c 14.094663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96705842
_sp... |
InsertBetweenAtomsAction | 87358ce7-24b4-41aa-adfd-c9092a21c376 | mp-1573889 | Insert a Sn atom in the line between atoms at indices 11 and 21, and the inserted atom must be 6.51 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Na8Fe4O12
_chemical_formula_sum "Na8 Fe4 O12"
_cell_length_a 5.39118514
_cell_length_b 10.9576286
_cell_length_c 5.39117953
_cell_angle_alpha 94.87793644999999
_cell_angle_beta 60.00086546000001
_cell_angle_gamma 85.12197187999999
... | data_image0
_chemical_formula_structural Na8Fe4O12Sn
_chemical_formula_sum "Na8 Fe4 O12 Sn1"
_cell_length_a 5.39118514
_cell_length_b 10.9576286
_cell_length_c 5.39117953
_cell_angle_alpha 94.87793644999999
_cell_angle_beta 60.00086546000001
_cell_angle_gamma 85.1219718799... |
InsertBetweenAtomsAction | 6ae2e26d-1aac-4b15-8f63-e2c3beb56c16 | mp-1203061 | Insert a In atom in the line between atoms at indices 36 and 4, and the inserted atom must be 1.54 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Tc8F32
_chemical_formula_sum "Tc8 F32"
_cell_length_a 5.3816679
_cell_length_b 9.33728238
_cell_length_c 11.21256405
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural Tc8F32In
_chemical_formula_sum "Tc8 F32 In1"
_cell_length_a 5.3816679
_cell_length_b 9.33728238
_cell_length_c 11.21256405
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
InsertBetweenAtomsAction | 809de6b2-85a7-4ee1-991f-f1a1c69ecb01 | mp-2231186 | Insert a Mo atom in the line between atoms at indices 2 and 6, and the inserted atom must be 2.53 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Rb2MgMo2P2Cl2O10
_chemical_formula_sum "Rb2 Mg1 Mo2 P2 Cl2 O10"
_cell_length_a 6.67572734
_cell_length_b 6.67572734
_cell_length_c 7.605368190000001
_cell_angle_alpha 97.32842016
_cell_angle_beta 82.67157984
_cell_angle_gamma 87.974... | data_image0
_chemical_formula_structural Rb2MgMo2P2Cl2O10Mo
_chemical_formula_sum "Rb2 Mg1 Mo3 P2 Cl2 O10"
_cell_length_a 6.67572734
_cell_length_b 6.67572734
_cell_length_c 7.605368190000001
_cell_angle_alpha 97.32842016
_cell_angle_beta 82.67157984
_cell_angle_gamma 87.9... |
InsertBetweenAtomsAction | a5029292-fc2d-449e-be5b-2adce4226b35 | mp-761710 | Insert a Zn atom in the line between atoms at indices 10 and 11, and the inserted atom must be 1.41 angstrom from atom at 10 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 Li2Fe2Co2O8Zn
_chemical_formula_sum "Li2 Fe2 Co2 O8 Zn1"
_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 | 355f67fc-e6b3-4bf0-a0f7-0fd04affa134 | mp-1746 | Insert a Pt atom in the line between atoms at indices 5 and 10, and the inserted atom must be 0.62 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mg4F8
_chemical_formula_sum "Mg4 F8"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_num... | data_image0
_chemical_formula_structural Mg4F8Pt
_chemical_formula_sum "Mg4 F8 Pt1"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... |
InsertBetweenAtomsAction | b5343a36-6100-4207-baa2-f539e8e46726 | mp-1228452 | Insert a Mc atom in the line between atoms at indices 6 and 28, and the inserted atom must be 0.22 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18Mc
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18 Mc1"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space... |
InsertBetweenAtomsAction | 97fec717-b69f-439a-aef9-7a632bbed170 | mp-28802 | Insert a Si atom in the line between atoms at indices 7 and 3, and the inserted atom must be 0.95 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Sr4Zn3F14
_chemical_formula_sum "Sr4 Zn3 F14"
_cell_length_a 6.75415152
_cell_length_b 6.75415767
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma 119.99806076000002
_space_grou... | data_image0
_chemical_formula_structural Sr4Zn3F14Si
_chemical_formula_sum "Sr4 Zn3 F14 Si1"
_cell_length_a 6.75415152
_cell_length_b 6.75415767
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma 119.99806076000002
_spac... |
InsertBetweenAtomsAction | 3072f314-8bf1-4862-addf-ca384ecb739e | mp-754293 | Insert a Ag atom in the line between atoms at indices 14 and 5, and the inserted atom must be 0.83 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Co6O4F8
_chemical_formula_sum "Co6 O4 F8"
_cell_length_a 4.582993
_cell_length_b 5.659017
_cell_length_c 7.73275339
_cell_angle_alpha 87.86569851
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Co6O4F8Ag
_chemical_formula_sum "Co6 O4 F8 Ag1"
_cell_length_a 4.582993
_cell_length_b 5.659017
_cell_length_c 7.73275339
_cell_angle_alpha 87.86569851
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 0c0b6e09-4a6b-4e40-9cac-874af5a74102 | mp-752419 | Insert a Re atom in the line between atoms at indices 13 and 0, and the inserted atom must be 1.94 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Sr4Ca4I16
_chemical_formula_sum "Sr4 Ca4 I16"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sr4Ca4I16Re
_chemical_formula_sum "Sr4 Ca4 I16 Re1"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | cd364f96-bd74-402b-9536-4e14b0b40450 | mp-28251 | Insert a Ta atom in the line between atoms at indices 22 and 8, and the inserted atom must be 2.42 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Ta4Zn6O16
_chemical_formula_sum "Ta4 Zn6 O16"
_cell_length_a 6.11858135
_cell_length_b 6.11857964
_cell_length_c 9.515213199999998
_cell_angle_alpha 71.39814522
_cell_angle_beta 71.39813469
_cell_angle_gamma 86.94086499
_space_grou... | data_image0
_chemical_formula_structural Ta4Zn6O16Ta
_chemical_formula_sum "Ta5 Zn6 O16"
_cell_length_a 6.11858135
_cell_length_b 6.11857964
_cell_length_c 9.515213199999998
_cell_angle_alpha 71.39814522
_cell_angle_beta 71.39813469
_cell_angle_gamma 86.94086499
_space_gr... |
InsertBetweenAtomsAction | 209120e9-2f09-4b8e-89ac-95e3d3b81475 | mp-1045008 | Insert a Bk atom in the line between atoms at indices 10 and 7, and the inserted atom must be 2.46 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ba2AlW3O7
_chemical_formula_sum "Ba2 Al1 W3 O7"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 Ba2AlW3O7Bk
_chemical_formula_sum "Ba2 Al1 W3 O7 Bk1"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 | b5c1d865-8cad-4c8e-a460-681606bec7e6 | mp-1213522 | Insert a Be atom in the line between atoms at indices 19 and 41, and the inserted atom must be 8.04 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68
_chemical_formula_sum "Cs4 Rb4 Mo12 P12 O68"
_cell_length_a 9.711585
_cell_length_b 10.998928
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68Be
_chemical_formula_sum "Cs4 Rb4 Mo12 P12 O68 Be1"
_cell_length_a 9.711585
_cell_length_b 10.998928
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
InsertBetweenAtomsAction | 5ca83c27-8aea-4116-9d6b-8c81db632d72 | mp-1040411 | Insert a Ts atom in the line between atoms at indices 45 and 10, and the inserted atom must be 1.69 angstrom from atom at 45 in the cif file. | data_image0
_chemical_formula_structural CsHfMg30O31
_chemical_formula_sum "Cs1 Hf1 Mg30 O31"
_cell_length_a 8.66402699
_cell_length_b 8.77212617
_cell_length_c 8.770686989999998
_cell_angle_alpha 89.9996359
_cell_angle_beta 89.99991935999999
_cell_angle_gamma 90.00112454
... | data_image0
_chemical_formula_structural CsHfMg30O31Ts
_chemical_formula_sum "Cs1 Hf1 Mg30 O31 Ts1"
_cell_length_a 8.66402699
_cell_length_b 8.77212617
_cell_length_c 8.770686989999998
_cell_angle_alpha 89.9996359
_cell_angle_beta 89.99991935999999
_cell_angle_gamma 90.001... |
InsertBetweenAtomsAction | 718fe41e-df5b-4fc4-82d5-9e8e5da2178c | mp-1201281 | Insert a Ca atom in the line between atoms at indices 38 and 31, and the inserted atom must be 2.45 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Cs4Np4Mo4O28Ca
_chemical_formula_sum "Cs4 Np4 Mo4 O28 Ca1"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 5d7df1b4-59be-4eec-8924-9ef6e50a3505 | mp-754915 | Insert a Ag atom in the line between atoms at indices 6 and 3, and the inserted atom must be 2.45 angstrom from atom at 6 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 Na2Fe2O6Ag
_chemical_formula_sum "Na2 Fe2 O6 Ag1"
_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 | c733efc5-1d17-4fbc-bc61-06ca80c60c97 | mp-1193985 | Insert a Hs atom in the line between atoms at indices 15 and 3, and the inserted atom must be 3.06 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ta2Co21B6Hs
_chemical_formula_sum "Ta2 Co21 B6 Hs1"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
InsertBetweenAtomsAction | 2b750229-f858-4217-b1c0-baba928ab84e | mp-1042619 | Insert a Bi atom in the line between atoms at indices 1 and 16, and the inserted atom must be 1.15 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural MgCu3Sn4O12
_chemical_formula_sum "Mg1 Cu3 Sn4 O12"
_cell_length_a 6.68046281
_cell_length_b 6.68046281
_cell_length_c 6.68046281
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... | data_image0
_chemical_formula_structural MgCu3Sn4O12Bi
_chemical_formula_sum "Mg1 Cu3 Sn4 O12 Bi1"
_cell_length_a 6.68046281
_cell_length_b 6.68046281
_cell_length_c 6.68046281
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_sp... |
InsertBetweenAtomsAction | fd5ebda4-c93d-4dc5-a6f4-c94ae456b6bd | mp-1226835 | Insert a Rg atom in the line between atoms at indices 3 and 11, and the inserted atom must be 1.41 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ce4Al6Ru2
_chemical_formula_sum "Ce4 Al6 Ru2"
_cell_length_a 5.57111515
_cell_length_b 5.57111515
_cell_length_c 8.774832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998989000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ce4Al6Ru2Rg
_chemical_formula_sum "Ce4 Al6 Ru2 Rg1"
_cell_length_a 5.57111515
_cell_length_b 5.57111515
_cell_length_c 8.774832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998989000001
_space_group_name_H-M... |
InsertBetweenAtomsAction | d47db999-1952-4b9d-838d-1c7f156d42c9 | mp-7152 | Insert a Pm atom in the line between atoms at indices 8 and 0, and the inserted atom must be 3.16 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6
_chemical_formula_sum "Cs2 Zr2 Cu2 Se6"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6Pm
_chemical_formula_sum "Cs2 Zr2 Cu2 Se6 Pm1"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M... |
InsertBetweenAtomsAction | 3ecf73a3-ee67-4825-b867-da9aa11401b1 | mp-768946 | Insert a C atom in the line between atoms at indices 9 and 13, and the inserted atom must be 3.95 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li8Cr6Co2O16
_chemical_formula_sum "Li8 Cr6 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_gro... | data_image0
_chemical_formula_structural Li8Cr6Co2O16C
_chemical_formula_sum "Li8 Cr6 Co2 O16 C1"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space... |
InsertBetweenAtomsAction | 0548906d-f26d-4d76-a148-6cb1688f676a | mp-1180605 | Insert a Zn atom in the line between atoms at indices 7 and 9, and the inserted atom must be 2.97 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Na2Al2S4O38
_chemical_formula_sum "Na2 Al2 S4 O38"
_cell_length_a 11.55504909
_cell_length_b 11.55504909
_cell_length_c 8.29750683
_cell_angle_alpha 87.88790446000002
_cell_angle_beta 87.88790446000002
_cell_angle_gamma 44.456240189... | data_image0
_chemical_formula_structural Na2Al2S4O38Zn
_chemical_formula_sum "Na2 Al2 S4 O38 Zn1"
_cell_length_a 11.55504909
_cell_length_b 11.55504909
_cell_length_c 8.29750683
_cell_angle_alpha 87.88790446000002
_cell_angle_beta 87.88790446000002
_cell_angle_gamma 44.456... |
InsertBetweenAtomsAction | ed480d30-134a-4650-963d-40210cce125a | mp-754936 | Insert a Cr atom in the line between atoms at indices 8 and 0, and the inserted atom must be 1.06 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Dy2Al2O6
_chemical_formula_sum "Dy2 Al2 O6"
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_space_group_name_H-... | data_image0
_chemical_formula_structural Dy2Al2O6Cr
_chemical_formula_sum "Dy2 Al2 O6 Cr1"
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_space_group_n... |
InsertBetweenAtomsAction | 5386d56e-724d-4aca-bc9b-9ea0d0671bde | mp-1200529 | Insert a Md atom in the line between atoms at indices 10 and 27, and the inserted atom must be 2.79 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Cu4As4Pb4O20
_chemical_formula_sum "Cu4 As4 Pb4 O20"
_cell_length_a 6.049413
_cell_length_b 8.473073
_cell_length_c 8.958571
_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 Cu4As4Pb4O20Md
_chemical_formula_sum "Cu4 As4 Pb4 O20 Md1"
_cell_length_a 6.049413
_cell_length_b 8.473073
_cell_length_c 8.958571
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | baf30da8-350c-40b2-90d0-11df344bf566 | mp-542449 | Insert a Hs atom in the line between atoms at indices 4 and 12, and the inserted atom must be 4.06 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Sc5Cl8
_chemical_formula_sum "Sc5 Cl8"
_cell_length_a 3.56970842
_cell_length_b 9.51391888
_cell_length_c 9.733746090000002
_cell_angle_alpha 88.02303824
_cell_angle_beta 79.45927861
_cell_angle_gamma 79.14940743
_space_group_name_... | data_image0
_chemical_formula_structural Sc5Cl8Hs
_chemical_formula_sum "Sc5 Cl8 Hs1"
_cell_length_a 3.56970842
_cell_length_b 9.51391888
_cell_length_c 9.733746090000002
_cell_angle_alpha 88.02303824
_cell_angle_beta 79.45927861
_cell_angle_gamma 79.14940743
_space_group... |
InsertBetweenAtomsAction | 5efb20fd-2305-408e-bada-98fe0302c168 | mp-22106 | Insert a C atom in the line between atoms at indices 12 and 15, and the inserted atom must be 3.11 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Nd4Ni4O12
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_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 Nd4Ni4O12C
_chemical_formula_sum "Nd4 Ni4 O12 C1"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_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 | a86c1b43-2936-4e49-93fb-2ffaf34ee984 | mp-759390 | Insert a Nh atom in the line between atoms at indices 57 and 5, and the inserted atom must be 5.78 angstrom from atom at 57 in the cif file. | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.449902
_cell_length_b 8.813636
_cell_length_c 12.85301105
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Bi8P12O48Nh
_chemical_formula_sum "Li12 Bi8 P12 O48 Nh1"
_cell_length_a 9.449902
_cell_length_b 8.813636
_cell_length_c 12.85301105
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 0e3c5189-a320-4119-a1de-43688ff9adad | mp-780531 | Insert a S atom in the line between atoms at indices 1 and 7, and the inserted atom must be 3.83 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Na12Mn12O32
_chemical_formula_sum "Na12 Mn12 O32"
_cell_length_a 8.769133
_cell_length_b 8.769133
_cell_length_c 8.769133
_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 Na12Mn12O32S
_chemical_formula_sum "Na12 Mn12 O32 S1"
_cell_length_a 8.769133
_cell_length_b 8.769133
_cell_length_c 8.769133
_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 | edf6b93c-4e35-4716-aec6-7af29320854a | mp-1225344 | Insert a Tc atom in the line between atoms at indices 17 and 16, and the inserted atom must be 4.43 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Dy4Mn2Sb2O14
_chemical_formula_sum "Dy4 Mn2 Sb2 O14"
_cell_length_a 7.32090987
_cell_length_b 7.320909870000001
_cell_length_c 7.3209098699999995
_cell_angle_alpha 121.66856854000002
_cell_angle_beta 118.61004259
_cell_angle_gamma 8... | data_image0
_chemical_formula_structural Dy4Mn2Sb2O14Tc
_chemical_formula_sum "Dy4 Mn2 Sb2 O14 Tc1"
_cell_length_a 7.32090987
_cell_length_b 7.320909870000001
_cell_length_c 7.3209098699999995
_cell_angle_alpha 121.66856854000002
_cell_angle_beta 118.61004259
_cell_angle_gamm... |
InsertBetweenAtomsAction | 6b5e75a6-cdd9-4412-97f1-2e2b9c5c95c5 | mp-1522797 | Insert a Ti atom in the line between atoms at indices 2 and 4, and the inserted atom must be 4.24 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural BaTiNbGaO6
_chemical_formula_sum "Ba1 Ti1 Nb1 Ga1 O6"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... | data_image0
_chemical_formula_structural BaTiNbGaO6Ti
_chemical_formula_sum "Ba1 Ti2 Nb1 Ga1 O6"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.000000... |
InsertBetweenAtomsAction | 50f76c61-076e-45ab-a793-a6b7cd4de09e | mp-2426125 | Insert a Li atom in the line between atoms at indices 3 and 24, and the inserted atom must be 4.83 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Mg18Sn10
_chemical_formula_sum "Mg18 Sn10"
_cell_length_a 8.88839894
_cell_length_b 8.888398940000002
_cell_length_c 8.88839933
_cell_angle_alpha 96.87517038
_cell_angle_beta 96.87517036999999
_cell_angle_gamma 96.87516981
_space_g... | data_image0
_chemical_formula_structural Mg18Sn10Li
_chemical_formula_sum "Mg18 Sn10 Li1"
_cell_length_a 8.88839894
_cell_length_b 8.888398940000002
_cell_length_c 8.88839933
_cell_angle_alpha 96.87517038
_cell_angle_beta 96.87517036999999
_cell_angle_gamma 96.87516981
_s... |
InsertBetweenAtomsAction | 0aa6d26f-64ee-48f2-a01a-b55083523e9b | mp-3073 | Insert a Fe atom in the line between atoms at indices 33 and 10, and the inserted atom must be 1.77 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Sm4Te8O22
_chemical_formula_sum "Sm4 Te8 O22"
_cell_length_a 6.78496314
_cell_length_b 6.78496314
_cell_length_c 16.25884552
_cell_angle_alpha 75.59757158
_cell_angle_beta 75.59757158
_cell_angle_gamma 45.011500870000006
_space_gro... | data_image0
_chemical_formula_structural Sm4Te8O22Fe
_chemical_formula_sum "Sm4 Te8 O22 Fe1"
_cell_length_a 6.78496314
_cell_length_b 6.78496314
_cell_length_c 16.25884552
_cell_angle_alpha 75.59757158
_cell_angle_beta 75.59757158
_cell_angle_gamma 45.011500870000006
_spa... |
InsertBetweenAtomsAction | 4a0621db-ad9d-48e5-8746-6e21d1b3b319 | mp-1043368 | Insert a Cu atom in the line between atoms at indices 11 and 22, and the inserted atom must be 3.54 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural V4Zn4Ge8O24
_chemical_formula_sum "V4 Zn4 Ge8 O24"
_cell_length_a 9.385584
_cell_length_b 5.531833
_cell_length_c 9.84020205
_cell_angle_alpha 77.2231305
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural V4Zn4Ge8O24Cu
_chemical_formula_sum "V4 Zn4 Ge8 O24 Cu1"
_cell_length_a 9.385584
_cell_length_b 5.531833
_cell_length_c 9.84020205
_cell_angle_alpha 77.2231305
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 6d3e5e8d-7f1a-4f6a-8847-4f9f8d3df3b7 | mp-698134 | Insert a N atom in the line between atoms at indices 21 and 33, and the inserted atom must be 4.26 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural K4Na4Sb4H12O6F20
_chemical_formula_sum "K4 Na4 Sb4 H12 O6 F20"
_cell_length_a 17.902519
_cell_length_b 6.153828
_cell_length_c 6.1553536
_cell_angle_alpha 89.39108713999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural K4Na4Sb4H12O6F20N
_chemical_formula_sum "K4 Na4 Sb4 H12 O6 F20 N1"
_cell_length_a 17.902519
_cell_length_b 6.153828
_cell_length_c 6.1553536
_cell_angle_alpha 89.39108713999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
InsertBetweenAtomsAction | 231785ba-a174-4ea7-a9e9-f0c38d1ffbda | mp-1516503 | Insert a Rb atom in the line between atoms at indices 0 and 5, and the inserted atom must be 1.53 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural KHfNbInO6
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KHfNbInO6Rb
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6 Rb1"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
InsertBetweenAtomsAction | 68f88661-7a8e-4655-8b39-cba3d22218cc | mp-1105549 | Insert a Ar atom in the line between atoms at indices 17 and 0, and the inserted atom must be 2.00 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Ba4Hf4S12
_chemical_formula_sum "Ba4 Hf4 S12"
_cell_length_a 7.01916792
_cell_length_b 7.04466639
_cell_length_c 9.97598706
_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 Ba4Hf4S12Ar
_chemical_formula_sum "Ba4 Hf4 S12 Ar1"
_cell_length_a 7.01916792
_cell_length_b 7.04466639
_cell_length_c 9.97598706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | dc93a7dd-2e02-4e14-ac05-01aa84f12242 | mp-1193899 | Insert a Sn atom in the line between atoms at indices 21 and 14, and the inserted atom must be 3.18 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Ta8Fe8Si14
_chemical_formula_sum "Ta8 Fe8 Si14"
_cell_length_a 9.22762901
_cell_length_b 9.22762901
_cell_length_c 9.22762901
_cell_angle_alpha 94.22080954
_cell_angle_beta 94.22080954
_cell_angle_gamma 148.51744114999997
_space_gr... | data_image0
_chemical_formula_structural Ta8Fe8Si14Sn
_chemical_formula_sum "Ta8 Fe8 Si14 Sn1"
_cell_length_a 9.22762901
_cell_length_b 9.22762901
_cell_length_c 9.22762901
_cell_angle_alpha 94.22080954
_cell_angle_beta 94.22080954
_cell_angle_gamma 148.51744114999997
_sp... |
InsertBetweenAtomsAction | 07366f5d-9462-4713-a37a-6f6ecef8cbef | mp-1216402 | Insert a Pu atom in the line between atoms at indices 14 and 42, and the inserted atom must be 10.87 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Y2U4B24Rh24
_chemical_formula_sum "Y2 U4 B24 Rh24"
_cell_length_a 5.335617
_cell_length_b 5.335617
_cell_length_c 22.517084
_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 Y2U4B24Rh24Pu
_chemical_formula_sum "Y2 U4 B24 Rh24 Pu1"
_cell_length_a 5.335617
_cell_length_b 5.335617
_cell_length_c 22.517084
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | ded95694-10d9-4cc2-8c96-666b3bed002d | mp-555792 | Insert a Re atom in the line between atoms at indices 16 and 8, and the inserted atom must be 2.33 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Na2Os4O12
_chemical_formula_sum "Na2 Os4 O12"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Na2Os4O12Re
_chemical_formula_sum "Na2 Os4 O12 Re1"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
InsertBetweenAtomsAction | bf7f86ff-1366-4110-b3eb-be3cc5dc2267 | mp-613620 | Insert a Bk atom in the line between atoms at indices 23 and 16, and the inserted atom must be 3.22 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Rh16O24
_chemical_formula_sum "Rh16 O24"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rh16O24Bk
_chemical_formula_sum "Rh16 O24 Bk1"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name... |
InsertBetweenAtomsAction | 713e07cb-03b6-4ce3-af0b-8d2478e359d3 | mp-1195683 | Insert a Np atom in the line between atoms at indices 46 and 37, and the inserted atom must be 1.49 angstrom from atom at 46 in the cif file. | data_image0
_chemical_formula_structural Na10Lu2H8C8O28
_chemical_formula_sum "Na10 Lu2 H8 C8 O28"
_cell_length_a 7.645634
_cell_length_b 7.645634
_cell_length_c 11.670033
_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 Na10Lu2H8C8O28Np
_chemical_formula_sum "Na10 Lu2 H8 C8 O28 Np1"
_cell_length_a 7.645634
_cell_length_b 7.645634
_cell_length_c 11.670033
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 49d5b588-046d-4d87-9ad5-db97d29196b4 | mp-753883 | Insert a Cn atom in the line between atoms at indices 11 and 10, and the inserted atom must be 3.14 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural La4Bi2O9
_chemical_formula_sum "La4 Bi2 O9"
_cell_length_a 5.848957
_cell_length_b 5.85465833
_cell_length_c 9.236225210000002
_cell_angle_alpha 107.93200039
_cell_angle_beta 93.52215625
_cell_angle_gamma 91.30189329999999
_space_g... | data_image0
_chemical_formula_structural La4Bi2O9Cn
_chemical_formula_sum "La4 Bi2 O9 Cn1"
_cell_length_a 5.848957
_cell_length_b 5.85465833
_cell_length_c 9.236225210000002
_cell_angle_alpha 107.93200039
_cell_angle_beta 93.52215625
_cell_angle_gamma 91.30189329999999
_s... |
InsertBetweenAtomsAction | 43bcc62a-075b-40ac-961c-35c1ced8bb08 | mp-1031226 | Insert a Sn atom in the line between atoms at indices 1 and 5, and the inserted atom must be 2.57 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_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 RbMg6TiO8Sn
_chemical_formula_sum "Rb1 Mg6 Ti1 O8 Sn1"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 42aed6f4-6e9d-43f2-a012-7c09a89ad2a6 | mp-1238897 | Insert a Bk atom in the line between atoms at indices 22 and 15, and the inserted atom must be 4.01 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16Bk
_chemical_formula_sum "Ti4 Cr4 Ag4 S16 Bk1"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
... |
InsertBetweenAtomsAction | b1973c94-fab0-4b5b-a434-1b80e3406e7a | mp-1182886 | Insert a Os atom in the line between atoms at indices 1 and 11, and the inserted atom must be 3.33 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Al8O24
_chemical_formula_sum "Al8 O24"
_cell_length_a 5.430238
_cell_length_b 8.937896
_cell_length_c 12.15981255
_cell_angle_alpha 49.744131579999994
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al8O24Os
_chemical_formula_sum "Al8 O24 Os1"
_cell_length_a 5.430238
_cell_length_b 8.937896
_cell_length_c 12.15981255
_cell_angle_alpha 49.744131579999994
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | e6054dec-4ea2-4bbb-b10b-83745b4b1ecb | mp-780571 | Insert a K atom in the line between atoms at indices 3 and 2, and the inserted atom must be 0.64 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li6Mn8B8O24
_chemical_formula_sum "Li6 Mn8 B8 O24"
_cell_length_a 6.192752
_cell_length_b 9.07713544
_cell_length_c 9.67224295
_cell_angle_alpha 78.03873525
_cell_angle_beta 80.14275177
_cell_angle_gamma 72.81904888000001
_space_gr... | data_image0
_chemical_formula_structural Li6Mn8B8O24K
_chemical_formula_sum "Li6 Mn8 B8 O24 K1"
_cell_length_a 6.192752
_cell_length_b 9.07713544
_cell_length_c 9.67224295
_cell_angle_alpha 78.03873525
_cell_angle_beta 80.14275177
_cell_angle_gamma 72.81904888000001
_spac... |
InsertBetweenAtomsAction | 6e9fef62-74d8-445f-8789-b7534eaf5e85 | mp-1210244 | Insert a He atom in the line between atoms at indices 16 and 51, and the inserted atom must be 6.10 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Pr46Mg8Pt14
_chemical_formula_sum "Pr46 Mg8 Pt14"
_cell_length_a 10.22769297
_cell_length_b 10.227692969999998
_cell_length_c 23.10771016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000229
_space_group_name... | data_image0
_chemical_formula_structural Pr46Mg8Pt14He
_chemical_formula_sum "Pr46 Mg8 Pt14 He1"
_cell_length_a 10.22769297
_cell_length_b 10.227692969999998
_cell_length_c 23.10771016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000229
_space_grou... |
InsertBetweenAtomsAction | 2f1f9fa7-c21d-47a7-94d3-5e48dd5cf05e | mp-1094113 | Insert a Rh atom in the line between atoms at indices 4 and 10, and the inserted atom must be 2.88 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Na4V8P8O36
_chemical_formula_sum "Na4 V8 P8 O36"
_cell_length_a 6.453138
_cell_length_b 7.676809
_cell_length_c 14.065464
_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 Na4V8P8O36Rh
_chemical_formula_sum "Na4 V8 P8 O36 Rh1"
_cell_length_a 6.453138
_cell_length_b 7.676809
_cell_length_c 14.065464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 47d94ddd-e364-4887-a2e6-ee9901d48dfc | mp-1192032 | Insert a C atom in the line between atoms at indices 4 and 16, and the inserted atom must be 3.18 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural NaSr3Be3B3O9F4
_chemical_formula_sum "Na1 Sr3 Be3 B3 O9 F4"
_cell_length_a 6.76163682
_cell_length_b 6.761636819999999
_cell_length_c 6.76163698
_cell_angle_alpha 103.68584915
_cell_angle_beta 103.68584915
_cell_angle_gamma 103.6858... | data_image0
_chemical_formula_structural NaSr3Be3B3O9F4C
_chemical_formula_sum "Na1 Sr3 Be3 B3 O9 F4 C1"
_cell_length_a 6.76163682
_cell_length_b 6.761636819999999
_cell_length_c 6.76163698
_cell_angle_alpha 103.68584915
_cell_angle_beta 103.68584915
_cell_angle_gamma 103.... |
InsertBetweenAtomsAction | 2f8e1dc2-f43d-41ed-af7e-d9cac757b574 | mp-2232164 | Insert a Sm atom in the line between atoms at indices 11 and 2, and the inserted atom must be 2.41 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural MgMn4Ni2O8
_chemical_formula_sum "Mg1 Mn4 Ni2 O8"
_cell_length_a 6.19030256
_cell_length_b 6.19030258
_cell_length_c 6.5341021
_cell_angle_alpha 58.14515097000001
_cell_angle_beta 58.14514497
_cell_angle_gamma 59.50659378000001
_sp... | data_image0
_chemical_formula_structural MgMn4Ni2O8Sm
_chemical_formula_sum "Mg1 Mn4 Ni2 O8 Sm1"
_cell_length_a 6.19030256
_cell_length_b 6.19030258
_cell_length_c 6.5341021
_cell_angle_alpha 58.14515097000001
_cell_angle_beta 58.14514497
_cell_angle_gamma 59.5065937800000... |
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