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 | 8109df08-4f41-496e-b1b1-e8736e8a8470 | mp-1202393 | Insert a Xe atom in the line between atoms at indices 8 and 12, and the inserted atom must be 5.60 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural U2Al8B6O28
_chemical_formula_sum "U2 Al8 B6 O28"
_cell_length_a 5.650549
_cell_length_b 9.654149
_cell_length_c 10.684810300000002
_cell_angle_alpha 67.18471549000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural U2Al8B6O28Xe
_chemical_formula_sum "U2 Al8 B6 O28 Xe1"
_cell_length_a 5.650549
_cell_length_b 9.654149
_cell_length_c 10.684810300000002
_cell_angle_alpha 67.18471549000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
InsertBetweenAtomsAction | 949b8a40-c33b-4cb3-933a-ab0011f90e46 | mp-1174755 | Insert a Pm atom in the line between atoms at indices 10 and 19, and the inserted atom must be 2.31 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... | data_image0
_chemical_formula_structural Li8Mn2Co4O14Pm
_chemical_formula_sum "Li8 Mn2 Co4 O14 Pm1"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
... |
InsertBetweenAtomsAction | c742f065-a107-43c4-926f-fac04ea8ce83 | mp-1520190 | Insert a Nb atom in the line between atoms at indices 2 and 1, and the inserted atom must be 8.95 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural BaCeInSbO6
_chemical_formula_sum "Ba1 Ce1 In1 Sb1 O6"
_cell_length_a 6.0540516
_cell_length_b 6.0540516
_cell_length_c 6.0540516
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural BaCeInSbO6Nb
_chemical_formula_sum "Ba1 Ce1 In1 Sb1 O6 Nb1"
_cell_length_a 6.0540516
_cell_length_b 6.0540516
_cell_length_c 6.0540516
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
InsertBetweenAtomsAction | f0166cbf-d00b-4bd9-8e55-33f9f63bfd60 | mp-630329 | Insert a Tm atom in the line between atoms at indices 12 and 24, and the inserted atom must be 2.72 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Pb8Se8O24
_chemical_formula_sum "Pb8 Se8 O24"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pb8Se8O24Tm
_chemical_formula_sum "Pb8 Se8 O24 Tm1"
_cell_length_a 8.07301543
_cell_length_b 8.84856559
_cell_length_c 9.189320979999998
_cell_angle_alpha 76.60234519
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | c1a44336-12eb-41da-9144-e0fdbbb99a77 | mp-1100732 | Insert a As atom in the line between atoms at indices 1 and 26, and the inserted atom must be 6.20 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li9Mn2Co5O16As
_chemical_formula_sum "Li9 Mn2 Co5 O16 As1"
_cell_length_a 2.900659
_cell_length_b 5.162968
_cell_length_c 19.52455185
_cell_angle_alpha 84.59949490000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | f4d6b813-c1ee-4844-ac89-28d4df0b64bf | mp-645694 | Insert a C atom in the line between atoms at indices 32 and 20, and the inserted atom must be 7.83 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Ce12Lu4Se24
_chemical_formula_sum "Ce12 Lu4 Se24"
_cell_length_a 4.100907
_cell_length_b 14.521528
_cell_length_c 17.57191
_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 Ce12Lu4Se24C
_chemical_formula_sum "Ce12 Lu4 Se24 C1"
_cell_length_a 4.100907
_cell_length_b 14.521528
_cell_length_c 17.57191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | ba23407e-3627-474d-9b55-4447579674f6 | mp-554397 | Insert a B atom in the line between atoms at indices 19 and 1, and the inserted atom must be 1.34 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Si8O16
_chemical_formula_sum "Si8 O16"
_cell_length_a 4.719159
_cell_length_b 7.122919
_cell_length_c 9.774747
_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_n... | data_image0
_chemical_formula_structural Si8O16B
_chemical_formula_sum "Si8 O16 B1"
_cell_length_a 4.719159
_cell_length_b 7.122919
_cell_length_c 9.774747
_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 | 72cd580b-ded5-46f7-8c9c-100d4d49df00 | mp-2228450 | Insert a C atom in the line between atoms at indices 10 and 8, and the inserted atom must be 0.81 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... | data_image0
_chemical_formula_structural MgMn3Cd2O8C
_chemical_formula_sum "Mg1 Mn3 Cd2 O8 C1"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.524358900000... |
InsertBetweenAtomsAction | 2f495719-4215-4b6a-95c0-93b8d8905122 | mp-736701 | Insert a Ag atom in the line between atoms at indices 1 and 57, and the inserted atom must be 17.09 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural P16Pt4I4O40
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural P16Pt4I4O40Ag
_chemical_formula_sum "P16 Pt4 I4 O40 Ag1"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | 9b230eae-add3-48a1-bc1d-271d86c5820d | mp-560156 | Insert a W atom in the line between atoms at indices 12 and 1, and the inserted atom must be 4.06 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Sr4Tl4V4O16
_chemical_formula_sum "Sr4 Tl4 V4 O16"
_cell_length_a 5.955183
_cell_length_b 7.66787
_cell_length_c 10.189353
_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 Sr4Tl4V4O16W
_chemical_formula_sum "Sr4 Tl4 V4 O16 W1"
_cell_length_a 5.955183
_cell_length_b 7.66787
_cell_length_c 10.189353
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | b0cae8ae-95ef-4609-a656-e35b6503f9e9 | mp-1223453 | Insert a Re atom in the line between atoms at indices 7 and 9, and the inserted atom must be 1.29 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural La2Ga5Au3
_chemical_formula_sum "La2 Ga5 Au3"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_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 La2Ga5Au3Re
_chemical_formula_sum "La2 Ga5 Au3 Re1"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_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 | 40fd5807-0897-4982-bc7e-ae1759c693b4 | mp-13602 | Insert a No atom in the line between atoms at indices 21 and 4, and the inserted atom must be 2.71 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Cd12As8O32
_chemical_formula_sum "Cd12 As8 O32"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cd12As8O32No
_chemical_formula_sum "Cd12 As8 O32 No1"
_cell_length_a 12.07996432
_cell_length_b 6.65751238
_cell_length_c 9.28880579
_cell_angle_alpha 81.67061731000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | 9ab5be8c-67a0-4afe-94ff-0a6c7eb91e30 | mp-1212542 | Insert a Gd atom in the line between atoms at indices 10 and 37, and the inserted atom must be 2.65 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural H18C6I2N12O2
_chemical_formula_sum "H18 C6 I2 N12 O2"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 11.644986569999999
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_cell_angle_gamma 109.12017428
_spa... | data_image0
_chemical_formula_structural H18C6I2N12O2Gd
_chemical_formula_sum "H18 C6 I2 N12 O2 Gd1"
_cell_length_a 6.169982
_cell_length_b 7.133423
_cell_length_c 11.644986569999999
_cell_angle_alpha 104.05347566
_cell_angle_beta 94.59936622
_cell_angle_gamma 109.12017428... |
InsertBetweenAtomsAction | 034cbbfe-9240-40f8-9e49-98f3fef5cb28 | mp-755195 | Insert a Es atom in the line between atoms at indices 4 and 9, and the inserted atom must be 2.65 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Fe6O10F2
_chemical_formula_sum "Fe6 O10 F2"
_cell_length_a 5.54976087
_cell_length_b 5.549760870000001
_cell_length_c 7.303701070000001
_cell_angle_alpha 70.88119254000001
_cell_angle_beta 70.88119254000001
_cell_angle_gamma 70.7014... | data_image0
_chemical_formula_structural Fe6O10F2Es
_chemical_formula_sum "Fe6 O10 F2 Es1"
_cell_length_a 5.54976087
_cell_length_b 5.549760870000001
_cell_length_c 7.303701070000001
_cell_angle_alpha 70.88119254000001
_cell_angle_beta 70.88119254000001
_cell_angle_gamma 7... |
InsertBetweenAtomsAction | c3bd24ad-b59a-4242-9607-c85e13afa70a | mp-770517 | Insert a Cf atom in the line between atoms at indices 1 and 24, and the inserted atom must be 4.41 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li36Al4Ni8O32
_chemical_formula_sum "Li36 Al4 Ni8 O32"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_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 Li36Al4Ni8O32Cf
_chemical_formula_sum "Li36 Al4 Ni8 O32 Cf1"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 78b0ee06-16a1-41cf-b4dc-6a0e4ff19dfe | mp-12491 | Insert a Db atom in the line between atoms at indices 3 and 11, and the inserted atom must be 3.27 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Cs2La2Cd2Te6
_chemical_formula_sum "Cs2 La2 Cd2 Te6"
_cell_length_a 8.83665743
_cell_length_b 8.83665743
_cell_length_c 12.28456919
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.08221441
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Cs2La2Cd2Te6Db
_chemical_formula_sum "Cs2 La2 Cd2 Te6 Db1"
_cell_length_a 8.83665743
_cell_length_b 8.83665743
_cell_length_c 12.28456919
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.08221441
_space_group_name... |
InsertBetweenAtomsAction | bc64d488-b0db-4eeb-a5fa-7f631fa5f45e | mp-1517360 | Insert a H atom in the line between atoms at indices 5 and 14, and the inserted atom must be 1.45 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural BaDyTi4O12
_chemical_formula_sum "Ba1 Dy1 Ti4 O12"
_cell_length_a 5.53194107
_cell_length_b 5.53194107
_cell_length_c 7.7862193
_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 BaDyTi4O12H
_chemical_formula_sum "Ba1 Dy1 Ti4 O12 H1"
_cell_length_a 5.53194107
_cell_length_b 5.53194107
_cell_length_c 7.7862193
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 18c65ff7-54f6-4221-b695-e4b1e32b0022 | mp-1213576 | Insert a Ru atom in the line between atoms at indices 15 and 45, and the inserted atom must be 0.91 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... | data_image0
_chemical_formula_structural Cu16Ni2Sb6S26N12Ru
_chemical_formula_sum "Cu16 Ni2 Sb6 S26 N12 Ru1"
_cell_length_a 12.53861968
_cell_length_b 12.538619680000002
_cell_length_c 12.53861968
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_an... |
InsertBetweenAtomsAction | dc662e31-4842-4e64-869f-aac21f9b164f | mp-556027 | Insert a Cu atom in the line between atoms at indices 7 and 13, and the inserted atom must be 8.28 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Si6O12
_chemical_formula_sum "Si6 O12"
_cell_length_a 9.59877805
_cell_length_b 9.59877805
_cell_length_c 9.59877768
_cell_angle_alpha 117.33407439
_cell_angle_beta 117.33407439
_cell_angle_gamma 117.33406562
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Si6O12Cu
_chemical_formula_sum "Si6 O12 Cu1"
_cell_length_a 9.59877805
_cell_length_b 9.59877805
_cell_length_c 9.59877768
_cell_angle_alpha 117.33407439
_cell_angle_beta 117.33407439
_cell_angle_gamma 117.33406562
_space_group_nam... |
InsertBetweenAtomsAction | 54e259c9-8f30-4fd8-a78b-37eee3443554 | mp-16415 | Insert a Mo atom in the line between atoms at indices 6 and 13, and the inserted atom must be 3.84 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural La4Pd4O12
_chemical_formula_sum "La4 Pd4 O12"
_cell_length_a 5.6198672
_cell_length_b 5.91080386
_cell_length_c 7.823997519999999
_cell_angle_alpha 90.00083176
_cell_angle_beta 90.00225172999998
_cell_angle_gamma 89.99945815000001
... | data_image0
_chemical_formula_structural La4Pd4O12Mo
_chemical_formula_sum "La4 Pd4 O12 Mo1"
_cell_length_a 5.6198672
_cell_length_b 5.91080386
_cell_length_c 7.823997519999999
_cell_angle_alpha 90.00083176
_cell_angle_beta 90.00225172999998
_cell_angle_gamma 89.9994581500... |
InsertBetweenAtomsAction | 21a1032a-9238-4edd-a109-8dc388ba458c | mp-776235 | Insert a Cu atom in the line between atoms at indices 3 and 13, and the inserted atom must be 2.67 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Zr8N8O4
_chemical_formula_sum "Zr8 N8 O4"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_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 Zr8N8O4Cu
_chemical_formula_sum "Zr8 N8 O4 Cu1"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_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 | ae0e918a-539d-4271-a487-1494df6d2351 | mp-1111700 | Insert a Tb atom in the line between atoms at indices 3 and 8, and the inserted atom must be 6.00 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Na3TlBr6
_chemical_formula_sum "Na3 Tl1 Br6"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Na3TlBr6Tb
_chemical_formula_sum "Na3 Tl1 Br6 Tb1"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
InsertBetweenAtomsAction | 7ee804f6-bb8b-410c-8ad8-12b3019d6036 | mp-758121 | Insert a Eu atom in the line between atoms at indices 12 and 11, and the inserted atom must be 7.33 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Fe4C6O18
_chemical_formula_sum "Fe4 C6 O18"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... | data_image0
_chemical_formula_structural Fe4C6O18Eu
_chemical_formula_sum "Fe4 C6 O18 Eu1"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_grou... |
InsertBetweenAtomsAction | bb88bb20-7e17-4706-91c6-5587d2a1a17a | mp-1111403 | Insert a Pt atom in the line between atoms at indices 8 and 3, and the inserted atom must be 1.52 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Rb2BiAuF6
_chemical_formula_sum "Rb2 Bi1 Au1 F6"
_cell_length_a 6.71700672
_cell_length_b 6.71700672
_cell_length_c 6.71700672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Rb2BiAuF6Pt
_chemical_formula_sum "Rb2 Bi1 Au1 F6 Pt1"
_cell_length_a 6.71700672
_cell_length_b 6.71700672
_cell_length_c 6.71700672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
InsertBetweenAtomsAction | 1cd04988-ec7c-4897-9e72-0fb41e9d6a91 | mp-558751 | Insert a Ge atom in the line between atoms at indices 44 and 34, and the inserted atom must be 2.14 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural Ca8Bi16O32
_chemical_formula_sum "Ca8 Bi16 O32"
_cell_length_a 10.19674131
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma 68.83986534
_space... | data_image0
_chemical_formula_structural Ca8Bi16O32Ge
_chemical_formula_sum "Ca8 Bi16 O32 Ge1"
_cell_length_a 10.19674131
_cell_length_b 10.19674131
_cell_length_c 12.414665430000001
_cell_angle_alpha 61.70359441
_cell_angle_beta 61.70359441
_cell_angle_gamma 68.83986534
... |
InsertBetweenAtomsAction | 4495aff5-197e-4fc8-9ab9-728ff0a2878b | mp-1191760 | Insert a Fr atom in the line between atoms at indices 24 and 17, and the inserted atom must be 5.15 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Na5V2P3O15
_chemical_formula_sum "Na5 V2 P3 O15"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
_space_gro... | data_image0
_chemical_formula_structural Na5V2P3O15Fr
_chemical_formula_sum "Na5 V2 P3 O15 Fr1"
_cell_length_a 5.22719757
_cell_length_b 6.361366
_cell_length_c 10.65333373
_cell_angle_alpha 72.62873264
_cell_angle_beta 89.65477152999999
_cell_angle_gamma 88.84362522
_spa... |
InsertBetweenAtomsAction | 389a5ddc-5aa6-4e9a-a351-c801fc018222 | mp-777849 | Insert a I atom in the line between atoms at indices 14 and 18, and the inserted atom must be 0.81 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Nb3P6WO24
_chemical_formula_sum "Nb3 P6 W1 O24"
_cell_length_a 9.07141994
_cell_length_b 9.07141994
_cell_length_c 9.07141925
_cell_angle_alpha 58.51358548
_cell_angle_beta 58.51358548
_cell_angle_gamma 58.51358863
_space_group_nam... | data_image0
_chemical_formula_structural Nb3P6WO24I
_chemical_formula_sum "Nb3 P6 W1 O24 I1"
_cell_length_a 9.07141994
_cell_length_b 9.07141994
_cell_length_c 9.07141925
_cell_angle_alpha 58.51358548
_cell_angle_beta 58.51358548
_cell_angle_gamma 58.51358863
_space_group... |
InsertBetweenAtomsAction | 6f904ff4-2a1d-41a5-81df-1d158f1ba685 | mp-9107 | Insert a Cn atom in the line between atoms at indices 5 and 7, and the inserted atom must be 1.96 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Na2Zr2Cu2S6
_chemical_formula_sum "Na2 Zr2 Cu2 S6"
_cell_length_a 6.81193218
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_space_group_na... | data_image0
_chemical_formula_structural Na2Zr2Cu2S6Cn
_chemical_formula_sum "Na2 Zr2 Cu2 S6 Cn1"
_cell_length_a 6.81193218
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_space_gr... |
InsertBetweenAtomsAction | 00af955b-07b2-40a9-8ad1-d96c533779d7 | mp-770952 | Insert a Ds atom in the line between atoms at indices 6 and 16, and the inserted atom must be 1.76 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li4Co3NiP4O16
_chemical_formula_sum "Li4 Co3 Ni1 P4 O16"
_cell_length_a 5.965139
_cell_length_b 4.745757
_cell_length_c 10.23215505
_cell_angle_alpha 89.96373711
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Co3NiP4O16Ds
_chemical_formula_sum "Li4 Co3 Ni1 P4 O16 Ds1"
_cell_length_a 5.965139
_cell_length_b 4.745757
_cell_length_c 10.23215505
_cell_angle_alpha 89.96373711
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | fbff7041-3ecd-4ba6-be81-f0daaa5c49d2 | mp-1198961 | Insert a Ra atom in the line between atoms at indices 41 and 11, and the inserted atom must be 1.36 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural Tl4Co4Br24N24
_chemical_formula_sum "Tl4 Co4 Br24 N24"
_cell_length_a 10.8315
_cell_length_b 10.8315
_cell_length_c 10.8315
_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 Tl4Co4Br24N24Ra
_chemical_formula_sum "Tl4 Co4 Br24 N24 Ra1"
_cell_length_a 10.8315
_cell_length_b 10.8315
_cell_length_c 10.8315
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | a0f0f5f9-1631-4229-ad40-3cc5e5c44957 | mp-1111648 | Insert a Md atom in the line between atoms at indices 8 and 1, and the inserted atom must be 4.47 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural K2NaDyCl6
_chemical_formula_sum "K2 Na1 Dy1 Cl6"
_cell_length_a 7.58312909
_cell_length_b 7.58312909
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural K2NaDyCl6Md
_chemical_formula_sum "K2 Na1 Dy1 Cl6 Md1"
_cell_length_a 7.58312909
_cell_length_b 7.58312909
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
InsertBetweenAtomsAction | 2d1cc4f6-aeb7-4fac-9bfc-6548bb4431f9 | mp-1519755 | Insert a Ac atom in the line between atoms at indices 2 and 8, and the inserted atom must be 0.40 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural SrSmEuVO6
_chemical_formula_sum "Sr1 Sm1 Eu1 V1 O6"
_cell_length_a 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 5.848314359999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural SrSmEuVO6Ac
_chemical_formula_sum "Sr1 Sm1 Eu1 V1 O6 Ac1"
_cell_length_a 5.84831436
_cell_length_b 5.848314359999999
_cell_length_c 5.848314359999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_... |
InsertBetweenAtomsAction | 68f9e277-9000-45cc-ba67-5ca682e8c985 | mp-1212166 | Insert a Fm atom in the line between atoms at indices 16 and 15, and the inserted atom must be 1.25 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Li2Eu2W4O16
_chemical_formula_sum "Li2 Eu2 W4 O16"
_cell_length_a 5.930097
_cell_length_b 5.150122
_cell_length_c 11.0886678
_cell_angle_alpha 67.27377906999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Eu2W4O16Fm
_chemical_formula_sum "Li2 Eu2 W4 O16 Fm1"
_cell_length_a 5.930097
_cell_length_b 5.150122
_cell_length_c 11.0886678
_cell_angle_alpha 67.27377906999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 1a463b41-99d1-468c-bb23-6d9575efe12e | mp-554508 | Insert a P atom in the line between atoms at indices 1 and 17, and the inserted atom must be 8.87 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural K4Y4P8O28
_chemical_formula_sum "K4 Y4 P8 O28"
_cell_length_a 7.55283602
_cell_length_b 8.59399284
_cell_length_c 10.95318287
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 107.53414731
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Y4P8O28P
_chemical_formula_sum "K4 Y4 P9 O28"
_cell_length_a 7.55283602
_cell_length_b 8.59399284
_cell_length_c 10.95318287
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 107.53414731
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | cf3850f1-fc97-427b-932b-be7ffa2107ac | mp-1234735 | Insert a Og atom in the line between atoms at indices 28 and 34, and the inserted atom must be 6.02 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural MgMn8Si10O30
_chemical_formula_sum "Mg1 Mn8 Si10 O30"
_cell_length_a 6.80069302
_cell_length_b 7.519325049999999
_cell_length_c 12.11559097
_cell_angle_alpha 106.48415729
_cell_angle_beta 94.21232844999999
_cell_angle_gamma 94.78790... | data_image0
_chemical_formula_structural MgMn8Si10O30Og
_chemical_formula_sum "Mg1 Mn8 Si10 O30 Og1"
_cell_length_a 6.80069302
_cell_length_b 7.519325049999999
_cell_length_c 12.11559097
_cell_angle_alpha 106.48415729
_cell_angle_beta 94.21232844999999
_cell_angle_gamma 94... |
InsertBetweenAtomsAction | e0b5ebd4-5998-4308-8e85-dbc31ee0813c | mp-1176984 | Insert a Gd atom in the line between atoms at indices 41 and 22, and the inserted atom must be 0.62 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2181397... | data_image0
_chemical_formula_structural Li12Mn2V6P12O48Gd
_chemical_formula_sum "Li12 Mn2 V6 P12 O48 Gd1"
_cell_length_a 8.496473
_cell_length_b 8.63314101
_cell_length_c 14.98279131
_cell_angle_alpha 92.30470291
_cell_angle_beta 103.94145626000001
_cell_angle_gamma 118.2... |
InsertBetweenAtomsAction | 41123068-a981-4e59-8e34-98034948dd59 | mp-2229854 | Insert a Os atom in the line between atoms at indices 7 and 15, and the inserted atom must be 7.13 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural MgPb4W2O10
_chemical_formula_sum "Mg1 Pb4 W2 O10"
_cell_length_a 5.87975561
_cell_length_b 7.77356628
_cell_length_c 10.18141938
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.78309567999999
_cell_angle_gamma 89.99999797
_spac... | data_image0
_chemical_formula_structural MgPb4W2O10Os
_chemical_formula_sum "Mg1 Pb4 W2 O10 Os1"
_cell_length_a 5.87975561
_cell_length_b 7.77356628
_cell_length_c 10.18141938
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.78309567999999
_cell_angle_gamma 89.99999797
... |
InsertBetweenAtomsAction | d4e72e97-3f76-4150-8be8-594cff16b71c | mp-1102093 | Insert a As atom in the line between atoms at indices 1 and 2, and the inserted atom must be 2.47 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Eu4I8
_chemical_formula_sum "Eu4 I8"
_cell_length_a 4.88592076
_cell_length_b 8.42455016
_cell_length_c 12.371407
_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 Eu4I8As
_chemical_formula_sum "Eu4 I8 As1"
_cell_length_a 4.88592076
_cell_length_b 8.42455016
_cell_length_c 12.371407
_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 | 591405fc-c740-45e8-b5bc-4018c6fc6502 | mp-1517276 | Insert a Ba atom in the line between atoms at indices 6 and 3, and the inserted atom must be 0.98 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural KPrYSbO6
_chemical_formula_sum "K1 Pr1 Y1 Sb1 O6"
_cell_length_a 5.91217212
_cell_length_b 5.91217212
_cell_length_c 5.91217212
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural KPrYSbO6Ba
_chemical_formula_sum "K1 Pr1 Y1 Sb1 O6 Ba1"
_cell_length_a 5.91217212
_cell_length_b 5.91217212
_cell_length_c 5.91217212
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
InsertBetweenAtomsAction | 090ee408-6dcb-4e73-bd9a-3b3190eedaba | mp-1095216 | Insert a Sr atom in the line between atoms at indices 6 and 11, and the inserted atom must be 3.45 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural Nd2As2O8Sr
_chemical_formula_sum "Nd2 As2 O8 Sr1"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928... |
InsertBetweenAtomsAction | fea41404-e1d7-42ac-826f-88f970457e0f | mp-695305 | Insert a Po atom in the line between atoms at indices 22 and 53, and the inserted atom must be 7.23 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Na8C8S8O24F24
_chemical_formula_sum "Na8 C8 S8 O24 F24"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 110.72370447
_spa... | data_image0
_chemical_formula_structural Na8C8S8O24F24Po
_chemical_formula_sum "Na8 C8 S8 O24 F24 Po1"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 110.72370447... |
InsertBetweenAtomsAction | 494cda70-9938-4f66-b656-6bac6d563ec8 | mp-850204 | Insert a Ba atom in the line between atoms at indices 1 and 5, and the inserted atom must be 2.84 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li5Co2O2F5
_chemical_formula_sum "Li5 Co2 O2 F5"
_cell_length_a 14.62900426
_cell_length_b 14.629004259999999
_cell_length_c 14.629004259999999
_cell_angle_alpha 168.43291069000003
_cell_angle_beta 168.43291069
_cell_angle_gamma 16.... | data_image0
_chemical_formula_structural Li5Co2O2F5Ba
_chemical_formula_sum "Li5 Co2 O2 F5 Ba1"
_cell_length_a 14.62900426
_cell_length_b 14.629004259999999
_cell_length_c 14.629004259999999
_cell_angle_alpha 168.43291069000003
_cell_angle_beta 168.43291069
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 4976f9fb-4f98-4937-a002-5487dffdef85 | mp-998613 | Insert a Al atom in the line between atoms at indices 7 and 8, and the inserted atom must be 0.42 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural K2Ge2Cl6
_chemical_formula_sum "K2 Ge2 Cl6"
_cell_length_a 7.53183696
_cell_length_b 7.53183688
_cell_length_c 7.53183649
_cell_angle_alpha 61.68388527
_cell_angle_beta 61.68387771
_cell_angle_gamma 61.68388726
_space_group_name_H-... | data_image0
_chemical_formula_structural K2Ge2Cl6Al
_chemical_formula_sum "K2 Ge2 Cl6 Al1"
_cell_length_a 7.53183696
_cell_length_b 7.53183688
_cell_length_c 7.53183649
_cell_angle_alpha 61.68388527
_cell_angle_beta 61.68387771
_cell_angle_gamma 61.68388726
_space_group_n... |
InsertBetweenAtomsAction | da1914ba-02a9-4924-8d00-dbbc06fbe7ca | mp-1039951 | Insert a In atom in the line between atoms at indices 10 and 1, and the inserted atom must be 5.09 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural RbCeMg30O32
_chemical_formula_sum "Rb1 Ce1 Mg30 O32"
_cell_length_a 8.696206
_cell_length_b 8.696206
_cell_length_c 8.784495
_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 RbCeMg30O32In
_chemical_formula_sum "Rb1 Ce1 Mg30 O32 In1"
_cell_length_a 8.696206
_cell_length_b 8.696206
_cell_length_c 8.784495
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | ddbb8923-acaf-4a96-a066-8dce4f177193 | mp-1192809 | Insert a Hs atom in the line between atoms at indices 7 and 4, and the inserted atom must be 2.40 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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 Ag4N12O12Hs
_chemical_formula_sum "Ag4 N12 O12 Hs1"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_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 | 6e1d749d-2a74-4aaf-94ff-905b2b2856a3 | mp-757738 | Insert a W atom in the line between atoms at indices 35 and 0, and the inserted atom must be 0.64 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Fe19Co5O32
_chemical_formula_sum "Fe19 Co5 O32"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89.91677... | data_image0
_chemical_formula_structural Fe19Co5O32W
_chemical_formula_sum "Fe19 Co5 O32 W1"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89.9... |
InsertBetweenAtomsAction | cad1ce85-bfeb-4b20-8400-7614b09ff266 | mp-726253 | Insert a C atom in the line between atoms at indices 8 and 5, and the inserted atom must be 3.75 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural RbLi3S2O9
_chemical_formula_sum "Rb1 Li3 S2 O9"
_cell_length_a 5.101571
_cell_length_b 5.4161261099999995
_cell_length_c 8.52957509
_cell_angle_alpha 105.94489701
_cell_angle_beta 89.59822111
_cell_angle_gamma 91.66368745
_space_gr... | data_image0
_chemical_formula_structural RbLi3S2O9C
_chemical_formula_sum "Rb1 Li3 S2 O9 C1"
_cell_length_a 5.101571
_cell_length_b 5.4161261099999995
_cell_length_c 8.52957509
_cell_angle_alpha 105.94489701
_cell_angle_beta 89.59822111
_cell_angle_gamma 91.66368745
_spac... |
InsertBetweenAtomsAction | 20600ed2-1be4-40c8-969b-c61e23cb2d49 | mp-684504 | Insert a Ba atom in the line between atoms at indices 53 and 52, and the inserted atom must be 3.53 angstrom from atom at 53 in the cif file. | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.233426
_cell_length_b 9.224183
_cell_length_c 16.03576682
_cell_angle_alpha 56.32682854
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Bi8P12O48Ba
_chemical_formula_sum "Li12 Bi8 P12 O48 Ba1"
_cell_length_a 9.233426
_cell_length_b 9.224183
_cell_length_c 16.03576682
_cell_angle_alpha 56.32682854
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 16212aeb-10cc-429c-a2f5-9fe7d0d7479b | mp-1034797 | Insert a Ne atom in the line between atoms at indices 22 and 3, and the inserted atom must be 3.05 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 RbNaMg14O15Ne
_chemical_formula_sum "Rb1 Na1 Mg14 O15 Ne1"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 91882a61-f196-40f4-b871-bd55007416c6 | mp-1229194 | Insert a Yb atom in the line between atoms at indices 30 and 31, and the inserted atom must be 1.06 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Ag2Au2I8O24
_chemical_formula_sum "Ag2 Au2 I8 O24"
_cell_length_a 5.843613
_cell_length_b 8.120017
_cell_length_c 13.08254631
_cell_angle_alpha 72.73543432
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ag2Au2I8O24Yb
_chemical_formula_sum "Ag2 Au2 I8 O24 Yb1"
_cell_length_a 5.843613
_cell_length_b 8.120017
_cell_length_c 13.08254631
_cell_angle_alpha 72.73543432
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 06861dab-338f-4a15-befc-38c7efb5b4f7 | mp-1209759 | Insert a Si atom in the line between atoms at indices 2 and 11, and the inserted atom must be 5.32 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Pr3Sb4Pt7
_chemical_formula_sum "Pr3 Sb4 Pt7"
_cell_length_a 4.475606
_cell_length_b 8.64494157
_cell_length_c 8.67361651
_cell_angle_alpha 70.36912792
_cell_angle_beta 75.04850978
_cell_angle_gamma 74.997753
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pr3Sb4Pt7Si
_chemical_formula_sum "Pr3 Sb4 Pt7 Si1"
_cell_length_a 4.475606
_cell_length_b 8.64494157
_cell_length_c 8.67361651
_cell_angle_alpha 70.36912792
_cell_angle_beta 75.04850978
_cell_angle_gamma 74.997753
_space_group_nam... |
InsertBetweenAtomsAction | 7f875016-96cb-42e0-91a9-f3657bd7a2a0 | mp-1209918 | Insert a Cs atom in the line between atoms at indices 13 and 7, and the inserted atom must be 0.48 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural NaYPd6O8
_chemical_formula_sum "Na1 Y1 Pd6 O8"
_cell_length_a 5.831788
_cell_length_b 5.831788
_cell_length_c 5.831788
_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 NaYPd6O8Cs
_chemical_formula_sum "Na1 Y1 Pd6 O8 Cs1"
_cell_length_a 5.831788
_cell_length_b 5.831788
_cell_length_c 5.831788
_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 | f17f9932-80de-454d-a807-ce9855853535 | mp-753161 | Insert a Rn atom in the line between atoms at indices 3 and 20, and the inserted atom must be 0.85 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li8V4O8F8
_chemical_formula_sum "Li8 V4 O8 F8"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_space_g... | data_image0
_chemical_formula_structural Li8V4O8F8Rn
_chemical_formula_sum "Li8 V4 O8 F8 Rn1"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_s... |
InsertBetweenAtomsAction | 79f64a38-2b8d-4dc9-a923-fdeae08068ee | mp-1246029 | Insert a Te atom in the line between atoms at indices 14 and 16, and the inserted atom must be 5.78 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Ca6Cr4N8
_chemical_formula_sum "Ca6 Cr4 N8"
_cell_length_a 6.79220659
_cell_length_b 8.28451684
_cell_length_c 5.40157864
_cell_angle_alpha 90.00000163
_cell_angle_beta 92.17687209
_cell_angle_gamma 127.57899077
_space_group_name_H... | data_image0
_chemical_formula_structural Ca6Cr4N8Te
_chemical_formula_sum "Ca6 Cr4 N8 Te1"
_cell_length_a 6.79220659
_cell_length_b 8.28451684
_cell_length_c 5.40157864
_cell_angle_alpha 90.00000163
_cell_angle_beta 92.17687209
_cell_angle_gamma 127.57899077
_space_group_... |
InsertBetweenAtomsAction | 978033f2-cfc7-4097-946b-6a33d442ee66 | mp-562239 | Insert a Be atom in the line between atoms at indices 16 and 28, and the inserted atom must be 1.74 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural V8P8Pb4O40
_chemical_formula_sum "V8 P8 Pb4 O40"
_cell_length_a 8.787201
_cell_length_b 5.283439
_cell_length_c 17.0558891
_cell_angle_alpha 88.9433945
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural V8P8Pb4O40Be
_chemical_formula_sum "V8 P8 Pb4 O40 Be1"
_cell_length_a 8.787201
_cell_length_b 5.283439
_cell_length_c 17.0558891
_cell_angle_alpha 88.9433945
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | b50cc690-71ba-4809-bcbf-a226457338dd | mp-1174751 | Insert a Hs atom in the line between atoms at indices 25 and 20, and the inserted atom must be 2.02 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.029203
_cell_length_b 7.79574031
_cell_length_c 11.14985522
_cell_angle_alpha 79.56287174
_cell_angle_beta 83.40665545000002
_cell_angle_gamma 83.34820798
_space... | data_image0
_chemical_formula_structural Li8Mn2Co4O14Hs
_chemical_formula_sum "Li8 Mn2 Co4 O14 Hs1"
_cell_length_a 3.029203
_cell_length_b 7.79574031
_cell_length_c 11.14985522
_cell_angle_alpha 79.56287174
_cell_angle_beta 83.40665545000002
_cell_angle_gamma 83.34820798
... |
InsertBetweenAtomsAction | 548ee314-317b-45f6-9ddd-7ccc761691b9 | mp-1194859 | Insert a Ar atom in the line between atoms at indices 42 and 20, and the inserted atom must be 1.66 angstrom from atom at 42 in the cif file. | data_image0
_chemical_formula_structural Al4V4Te8O32
_chemical_formula_sum "Al4 V4 Te8 O32"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Al4V4Te8O32Ar
_chemical_formula_sum "Al4 V4 Te8 O32 Ar1"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 8154bfa4-b58d-4563-9d85-5d443c1421d2 | mp-24598 | Insert a Rh atom in the line between atoms at indices 46 and 19, and the inserted atom must be 4.91 angstrom from atom at 46 in the cif file. | data_image0
_chemical_formula_structural Ba4V4P8H16O40
_chemical_formula_sum "Ba4 V4 P8 H16 O40"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ba4V4P8H16O40Rh
_chemical_formula_sum "Ba4 V4 P8 H16 O40 Rh1"
_cell_length_a 6.493716
_cell_length_b 10.985219
_cell_length_c 11.56911505
_cell_angle_alpha 77.90288841
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | 165273fc-da7b-445c-a3e5-825db69b4f16 | mp-1197379 | Insert a Sn atom in the line between atoms at indices 28 and 31, and the inserted atom must be 5.01 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Y2N6O28
_chemical_formula_sum "Y2 N6 O28"
_cell_length_a 6.444069
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_space_group_name_H... | data_image0
_chemical_formula_structural Y2N6O28Sn
_chemical_formula_sum "Y2 N6 O28 Sn1"
_cell_length_a 6.444069
_cell_length_b 9.2270496
_cell_length_c 10.00954149
_cell_angle_alpha 64.65344233
_cell_angle_beta 84.6101484
_cell_angle_gamma 78.37398314999999
_space_group_... |
InsertBetweenAtomsAction | 05129491-1c87-4330-aaca-87b2f01c70f2 | mp-1044845 | Insert a Be atom in the line between atoms at indices 21 and 17, and the inserted atom must be 2.64 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Ba6Al3Fe6F33
_chemical_formula_sum "Ba6 Al3 Fe6 F33"
_cell_length_a 7.44947064
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_space_group_name_H... | data_image0
_chemical_formula_structural Ba6Al3Fe6F33Be
_chemical_formula_sum "Ba6 Al3 Fe6 F33 Be1"
_cell_length_a 7.44947064
_cell_length_b 7.44947064
_cell_length_c 14.536701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000565999999
_space_group_... |
InsertBetweenAtomsAction | b65d850c-38ad-46df-8b93-5aaa6d6a2b40 | mp-1209559 | Insert a Sm atom in the line between atoms at indices 1 and 61, and the inserted atom must be 2.50 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Sc2Zn20B16Rh36
_chemical_formula_sum "Sc2 Zn20 B16 Rh36"
_cell_length_a 17.978856
_cell_length_b 17.978856
_cell_length_c 2.894875
_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 Sc2Zn20B16Rh36Sm
_chemical_formula_sum "Sc2 Zn20 B16 Rh36 Sm1"
_cell_length_a 17.978856
_cell_length_b 17.978856
_cell_length_c 2.894875
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | c3d8f750-95a3-45a5-abb8-e5f1d994e44c | mp-1208371 | Insert a Be atom in the line between atoms at indices 0 and 6, and the inserted atom must be 1.04 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Tl4N8Cl20O4
_chemical_formula_sum "Tl4 N8 Cl20 O4"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_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 Tl4N8Cl20O4Be
_chemical_formula_sum "Tl4 N8 Cl20 O4 Be1"
_cell_length_a 7.728223
_cell_length_b 10.918634
_cell_length_c 16.707943
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 7c91e65e-594b-41a4-880e-76159d10eda7 | mp-779533 | Insert a Md atom in the line between atoms at indices 3 and 26, and the inserted atom must be 5.54 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ba12Br8O8
_chemical_formula_sum "Ba12 Br8 O8"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_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 Ba12Br8O8Md
_chemical_formula_sum "Ba12 Br8 O8 Md1"
_cell_length_a 6.367137
_cell_length_b 7.584598
_cell_length_c 19.738796
_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 | f7f7958d-bee1-4368-9178-4a6a21c35396 | mp-1202068 | Insert a K atom in the line between atoms at indices 3 and 28, and the inserted atom must be 0.93 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1580721... | data_image0
_chemical_formula_structural Pd2C8S8I4N16K
_chemical_formula_sum "Pd2 C8 S8 I4 N16 K1"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.158... |
InsertBetweenAtomsAction | e3318569-e53a-41e6-9992-ff744997af32 | mp-1211531 | Insert a Ru atom in the line between atoms at indices 8 and 5, and the inserted atom must be 1.63 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li3TaF6
_chemical_formula_sum "Li3 Ta1 F6"
_cell_length_a 5.84410831
_cell_length_b 6.311450130000001
_cell_length_c 7.63450276
_cell_angle_alpha 82.69135836000001
_cell_angle_beta 139.93362222000002
_cell_angle_gamma 118.40085885
... | data_image0
_chemical_formula_structural Li3TaF6Ru
_chemical_formula_sum "Li3 Ta1 F6 Ru1"
_cell_length_a 5.84410831
_cell_length_b 6.311450130000001
_cell_length_c 7.63450276
_cell_angle_alpha 82.69135836000001
_cell_angle_beta 139.93362222000002
_cell_angle_gamma 118.4008... |
InsertBetweenAtomsAction | 82a27fb0-35bb-4e4c-a1c9-852330082366 | mp-570105 | Insert a No atom in the line between atoms at indices 23 and 1, and the inserted atom must be 0.61 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural K4Pt2C8I4N8
_chemical_formula_sum "K4 Pt2 C8 I4 N8"
_cell_length_a 9.506457
_cell_length_b 7.41999
_cell_length_c 9.06048503
_cell_angle_alpha 72.44232065
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural K4Pt2C8I4N8No
_chemical_formula_sum "K4 Pt2 C8 I4 N8 No1"
_cell_length_a 9.506457
_cell_length_b 7.41999
_cell_length_c 9.06048503
_cell_angle_alpha 72.44232065
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 5de4b98b-54c1-4298-ac3e-db2df594649c | mp-1213837 | Insert a Nb atom in the line between atoms at indices 4 and 2, and the inserted atom must be 2.84 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ce2Hf2F14
_chemical_formula_sum "Ce2 Hf2 F14"
_cell_length_a 5.82544217
_cell_length_b 6.23507996
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ce2Hf2F14Nb
_chemical_formula_sum "Ce2 Hf2 F14 Nb1"
_cell_length_a 5.82544217
_cell_length_b 6.23507996
_cell_length_c 8.43986948
_cell_angle_alpha 102.12410435
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | f07fc39c-f126-4e1e-ada6-13626dd92513 | mp-1046426 | Insert a Ca atom in the line between atoms at indices 23 and 21, and the inserted atom must be 1.00 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Sr2V2Zn2P4O16
_chemical_formula_sum "Sr2 V2 Zn2 P4 O16"
_cell_length_a 5.53321927
_cell_length_b 7.043239259999999
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr2V2Zn2P4O16Ca
_chemical_formula_sum "Sr2 V2 Zn2 P4 O16 Ca1"
_cell_length_a 5.53321927
_cell_length_b 7.043239259999999
_cell_length_c 9.522283399999997
_cell_angle_alpha 110.93407687000001
_cell_angle_beta 101.57921933
_cell_angle_ga... |
InsertBetweenAtomsAction | 96916cca-95d9-4190-afab-3e4e34b8660a | mp-1208448 | Insert a As atom in the line between atoms at indices 8 and 10, and the inserted atom must be 3.84 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Tb4Ga12Ag
_chemical_formula_sum "Tb4 Ga12 Ag1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_space_g... | data_image0
_chemical_formula_structural Tb4Ga12AgAs
_chemical_formula_sum "Tb4 Ga12 Ag1 As1"
_cell_length_a 7.47914003
_cell_length_b 7.47914121
_cell_length_c 7.47914121
_cell_angle_alpha 109.47123338999998
_cell_angle_beta 109.47121744
_cell_angle_gamma 109.47121744
_s... |
InsertBetweenAtomsAction | 47de1e9f-8158-40c6-a643-fa13fa810181 | mp-758121 | Insert a Nh atom in the line between atoms at indices 20 and 6, and the inserted atom must be 3.45 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Fe4C6O18
_chemical_formula_sum "Fe4 C6 O18"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_group_name... | data_image0
_chemical_formula_structural Fe4C6O18Nh
_chemical_formula_sum "Fe4 C6 O18 Nh1"
_cell_length_a 7.63148901
_cell_length_b 7.63148901
_cell_length_c 7.63148831
_cell_angle_alpha 109.07792927
_cell_angle_beta 109.07792927
_cell_angle_gamma 109.07792998
_space_grou... |
InsertBetweenAtomsAction | e59af69c-4057-4427-afbc-d3c71d76f14d | mp-1211422 | Insert a Cn atom in the line between atoms at indices 5 and 8, and the inserted atom must be 2.37 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural K2Pt2Br6N2
_chemical_formula_sum "K2 Pt2 Br6 N2"
_cell_length_a 9.58838848
_cell_length_b 9.58838848
_cell_length_c 9.787549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 152.24681613
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural K2Pt2Br6N2Cn
_chemical_formula_sum "K2 Pt2 Br6 N2 Cn1"
_cell_length_a 9.58838848
_cell_length_b 9.58838848
_cell_length_c 9.787549
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 152.24681613
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 1fdac0f3-bd32-4ec0-a29f-3fb8f0ab698e | mp-532443 | Insert a Tc atom in the line between atoms at indices 9 and 2, and the inserted atom must be 0.86 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li10V10Cl32
_chemical_formula_sum "Li10 V10 Cl32"
_cell_length_a 12.74943518
_cell_length_b 12.74943518
_cell_length_c 7.362862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.54370111000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li10V10Cl32Tc
_chemical_formula_sum "Li10 V10 Cl32 Tc1"
_cell_length_a 12.74943518
_cell_length_b 12.74943518
_cell_length_c 7.362862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.54370111000001
_space_group_na... |
InsertBetweenAtomsAction | 35b1a177-0a88-4636-a664-5b607065eec4 | mp-1195795 | Insert a Bh atom in the line between atoms at indices 2 and 21, and the inserted atom must be 2.09 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural La4Y11S22
_chemical_formula_sum "La4 Y11 S22"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_space_g... | data_image0
_chemical_formula_structural La4Y11S22Bh
_chemical_formula_sum "La4 Y11 S22 Bh1"
_cell_length_a 19.85295513
_cell_length_b 19.85295513
_cell_length_c 11.44709179
_cell_angle_alpha 88.44478713
_cell_angle_beta 88.44478713
_cell_angle_gamma 11.543549940000046
_s... |
InsertBetweenAtomsAction | 88237172-ddb2-4fe0-b422-ffbdf63379e0 | mp-1245465 | Insert a Fe atom in the line between atoms at indices 21 and 14, and the inserted atom must be 1.47 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Rb12Mo2N8
_chemical_formula_sum "Rb12 Mo2 N8"
_cell_length_a 8.548138
_cell_length_b 8.548138
_cell_length_c 7.221961
_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 Rb12Mo2N8Fe
_chemical_formula_sum "Rb12 Mo2 N8 Fe1"
_cell_length_a 8.548138
_cell_length_b 8.548138
_cell_length_c 7.221961
_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 | 13078a89-e935-42fb-9b6f-302a4449d816 | mp-758815 | Insert a Am atom in the line between atoms at indices 21 and 42, and the inserted atom must be 5.55 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Li8Mn4P16O48
_chemical_formula_sum "Li8 Mn4 P16 O48"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Mn4P16O48Am
_chemical_formula_sum "Li8 Mn4 P16 O48 Am1"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | bf1ef363-2d10-460d-ba80-d7b6060f245e | mp-1200323 | Insert a Tm atom in the line between atoms at indices 50 and 52, and the inserted atom must be 2.27 angstrom from atom at 50 in the cif file. | data_image0
_chemical_formula_structural Na12Nb4As8O36
_chemical_formula_sum "Na12 Nb4 As8 O36"
_cell_length_a 8.46195509
_cell_length_b 9.67605056
_cell_length_c 10.606199740000001
_cell_angle_alpha 71.25715089999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... | data_image0
_chemical_formula_structural Na12Nb4As8O36Tm
_chemical_formula_sum "Na12 Nb4 As8 O36 Tm1"
_cell_length_a 8.46195509
_cell_length_b 9.67605056
_cell_length_c 10.606199740000001
_cell_angle_alpha 71.25715089999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_sp... |
InsertBetweenAtomsAction | 6e5f0bb6-cbfb-4685-a6de-a546b325bcb5 | mp-1185759 | Insert a Bk atom in the line between atoms at indices 6 and 18, and the inserted atom must be 3.83 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mg17Al11Tl
_chemical_formula_sum "Mg17 Al11 Tl1"
_cell_length_a 9.17786347
_cell_length_b 9.177863469999998
_cell_length_c 9.2046195
_cell_angle_alpha 70.5694587
_cell_angle_beta 70.5694587
_cell_angle_gamma 109.11134154
_space_gro... | data_image0
_chemical_formula_structural Mg17Al11TlBk
_chemical_formula_sum "Mg17 Al11 Tl1 Bk1"
_cell_length_a 9.17786347
_cell_length_b 9.177863469999998
_cell_length_c 9.2046195
_cell_angle_alpha 70.5694587
_cell_angle_beta 70.5694587
_cell_angle_gamma 109.11134154
_spa... |
InsertBetweenAtomsAction | d46aa824-ad4c-4737-ad35-22496906ae69 | mp-22417 | Insert a Cl atom in the line between atoms at indices 17 and 9, and the inserted atom must be 2.09 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 4.732146
_cell_length_b 5.926672
_cell_length_c 10.14381
_cell_angle_alpha 89.99885199
_cell_angle_beta 89.99866273999999
_cell_angle_gamma 90.00273053
_space_group_... | data_image0
_chemical_formula_structural Li4Ni4P4O16Cl
_chemical_formula_sum "Li4 Ni4 P4 O16 Cl1"
_cell_length_a 4.732146
_cell_length_b 5.926672
_cell_length_c 10.14381
_cell_angle_alpha 89.99885199
_cell_angle_beta 89.99866273999999
_cell_angle_gamma 90.00273053
_space_... |
InsertBetweenAtomsAction | c5c9b78d-2cca-4ac1-92c5-7ee8ea2906eb | mp-532718 | Insert a Rb atom in the line between atoms at indices 14 and 9, and the inserted atom must be 4.75 angstrom from atom at 14 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 Ca6Nd6Mn12O36Rb
_chemical_formula_sum "Ca6 Nd6 Mn12 O36 Rb1"
_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 ... |
InsertBetweenAtomsAction | 96add9c1-64a9-4455-8263-3576b44af0cc | mp-559593 | Insert a At atom in the line between atoms at indices 12 and 22, and the inserted atom must be 3.82 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6At
_chemical_formula_sum "P3 S9 N15 F6 At1"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470... |
InsertBetweenAtomsAction | 1f256d23-0209-4ed2-b0b9-bee1ff15fefe | mp-557667 | Insert a In atom in the line between atoms at indices 40 and 11, and the inserted atom must be 4.88 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 10.863788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_na... | data_image0
_chemical_formula_structural Ge9Pb15O33In
_chemical_formula_sum "Ge9 Pb15 O33 In1"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 10.863788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_gr... |
InsertBetweenAtomsAction | a024cad5-fd89-4028-8c9e-e23338c3952b | mp-27382 | Insert a Pa atom in the line between atoms at indices 38 and 7, and the inserted atom must be 3.07 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural U8Tl8F40
_chemical_formula_sum "U8 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural U8Tl8F40Pa
_chemical_formula_sum "U8 Tl8 F40 Pa1"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | f6b81d24-22f6-465a-b6d9-18be81716617 | mp-1045679 | Insert a Er atom in the line between atoms at indices 16 and 9, and the inserted atom must be 2.93 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Nb4Te2O16
_chemical_formula_sum "Nb4 Te2 O16"
_cell_length_a 10.48859282
_cell_length_b 10.48859282
_cell_length_c 5.25864415
_cell_angle_alpha 87.00891937999998
_cell_angle_beta 87.00891937999998
_cell_angle_gamma 34.35651596
_spa... | data_image0
_chemical_formula_structural Nb4Te2O16Er
_chemical_formula_sum "Nb4 Te2 O16 Er1"
_cell_length_a 10.48859282
_cell_length_b 10.48859282
_cell_length_c 5.25864415
_cell_angle_alpha 87.00891937999998
_cell_angle_beta 87.00891937999998
_cell_angle_gamma 34.35651596... |
InsertBetweenAtomsAction | abe286ae-6288-4278-bb0b-c90666fc7bd4 | mp-6215 | Insert a C atom in the line between atoms at indices 8 and 5, and the inserted atom must be 0.98 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ag2Hg2As2S6
_chemical_formula_sum "Ag2 Hg2 As2 S6"
_cell_length_a 6.59009171
_cell_length_b 6.59009171
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
_space_group... | data_image0
_chemical_formula_structural Ag2Hg2As2S6C
_chemical_formula_sum "Ag2 Hg2 As2 S6 C1"
_cell_length_a 6.59009171
_cell_length_b 6.59009171
_cell_length_c 7.85117914
_cell_angle_alpha 78.09616262
_cell_angle_beta 78.09616262
_cell_angle_gamma 118.91525133
_space_g... |
InsertBetweenAtomsAction | fc7bc6fb-fa5d-41d1-89d0-aec6a9cc5eb3 | mp-1177575 | Insert a Es atom in the line between atoms at indices 9 and 5, and the inserted atom must be 3.34 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li3NbFe4O8
_chemical_formula_sum "Li3 Nb1 Fe4 O8"
_cell_length_a 6.0872174
_cell_length_b 6.0872174
_cell_length_c 6.240621610000001
_cell_angle_alpha 59.60408362
_cell_angle_beta 59.60408362
_cell_angle_gamma 61.655735250000006
_s... | data_image0
_chemical_formula_structural Li3NbFe4O8Es
_chemical_formula_sum "Li3 Nb1 Fe4 O8 Es1"
_cell_length_a 6.0872174
_cell_length_b 6.0872174
_cell_length_c 6.240621610000001
_cell_angle_alpha 59.60408362
_cell_angle_beta 59.60408362
_cell_angle_gamma 61.6557352500000... |
InsertBetweenAtomsAction | e1d8c821-2ee2-4f28-871b-2bfeae75a6a0 | mp-757246 | Insert a Sr atom in the line between atoms at indices 14 and 19, and the inserted atom must be 2.00 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Li4Ti6V2O16
_chemical_formula_sum "Li4 Ti6 V2 O16"
_cell_length_a 5.98040853
_cell_length_b 6.07271908
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma 89.68097839
... | data_image0
_chemical_formula_structural Li4Ti6V2O16Sr
_chemical_formula_sum "Li4 Ti6 V2 O16 Sr1"
_cell_length_a 5.98040853
_cell_length_b 6.07271908
_cell_length_c 8.497984319999999
_cell_angle_alpha 88.70740442000002
_cell_angle_beta 90.00716979
_cell_angle_gamma 89.6809... |
InsertBetweenAtomsAction | 3f7e09eb-00e2-498e-9ec2-9503352d3adf | mp-1029918 | Insert a Mo atom in the line between atoms at indices 61 and 63, and the inserted atom must be 2.72 angstrom from atom at 61 in the cif file. | data_image0
_chemical_formula_structural Ba12V24N48
_chemical_formula_sum "Ba12 V24 N48"
_cell_length_a 10.936076
_cell_length_b 10.936076
_cell_length_c 10.936076
_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 Ba12V24N48Mo
_chemical_formula_sum "Ba12 V24 N48 Mo1"
_cell_length_a 10.936076
_cell_length_b 10.936076
_cell_length_c 10.936076
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | e30fdd38-5573-41bf-b779-c048f30eb01b | mp-19408 | Insert a H atom in the line between atoms at indices 13 and 6, and the inserted atom must be 5.44 angstrom from atom at 13 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 Li4V8O20H
_chemical_formula_sum "Li4 V8 O20 H1"
_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_g... |
InsertBetweenAtomsAction | 8e59c631-10f2-4098-9ebb-aa4366b6aad3 | mp-661715 | Insert a Mn atom in the line between atoms at indices 15 and 1, and the inserted atom must be 5.36 angstrom from atom at 15 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 Ti2S2Cl12O2Mn
_chemical_formula_sum "Ti2 S2 Cl12 O2 Mn1"
_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 | 187d92b2-df83-4bb4-a5a3-cd8750071423 | mp-1182382 | Insert a Se atom in the line between atoms at indices 15 and 3, and the inserted atom must be 0.89 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Ca2O20
_chemical_formula_sum "Ca2 O20"
_cell_length_a 5.608848
_cell_length_b 5.608848
_cell_length_c 8.40503
_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_nu... | data_image0
_chemical_formula_structural Ca2O20Se
_chemical_formula_sum "Ca2 O20 Se1"
_cell_length_a 5.608848
_cell_length_b 5.608848
_cell_length_c 8.40503
_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 | b9bd2bd0-265e-4517-8fb0-7fcbb7d92025 | mp-1228061 | Insert a Cr atom in the line between atoms at indices 7 and 6, and the inserted atom must be 0.49 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ba4Cu2IBrO4
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba4Cu2IBrO4Cr
_chemical_formula_sum "Ba4 Cu2 I1 Br1 O4 Cr1"
_cell_length_a 4.387598
_cell_length_b 7.597728
_cell_length_c 10.402026439999998
_cell_angle_alpha 75.8020847
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | 38f6c160-1796-4ef4-bb82-6865e321a3a7 | mp-24674 | Insert a Ni atom in the line between atoms at indices 25 and 26, and the inserted atom must be 2.19 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Be6P4H8O20
_chemical_formula_sum "Be6 P4 H8 O20"
_cell_length_a 8.40993268
_cell_length_b 8.40993268
_cell_length_c 9.64631995
_cell_angle_alpha 85.36159719
_cell_angle_beta 85.36159719
_cell_angle_gamma 31.91254212000001
_space_gr... | data_image0
_chemical_formula_structural Be6P4H8O20Ni
_chemical_formula_sum "Be6 P4 H8 O20 Ni1"
_cell_length_a 8.40993268
_cell_length_b 8.40993268
_cell_length_c 9.64631995
_cell_angle_alpha 85.36159719
_cell_angle_beta 85.36159719
_cell_angle_gamma 31.91254212000001
_sp... |
InsertBetweenAtomsAction | ee8d3556-fbbd-4d50-ab38-b32d6fdf4993 | mp-1213937 | Insert a Pu atom in the line between atoms at indices 25 and 36, and the inserted atom must be 1.81 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24
_chemical_formula_sum "Cr10 Cu2 Ge4 O24"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group_name_... | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24Pu
_chemical_formula_sum "Cr10 Cu2 Ge4 O24 Pu1"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group... |
InsertBetweenAtomsAction | 782cc6e8-9d39-45f2-bd50-f29746dd91fb | mp-1112637 | Insert a Bi atom in the line between atoms at indices 5 and 3, and the inserted atom must be 1.60 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Cs2TlCuF6
_chemical_formula_sum "Cs2 Tl1 Cu1 F6"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 6.35045246
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Cs2TlCuF6Bi
_chemical_formula_sum "Cs2 Tl1 Cu1 F6 Bi1"
_cell_length_a 6.35045246
_cell_length_b 6.3504524600000005
_cell_length_c 6.35045246
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 5... |
InsertBetweenAtomsAction | 2cecbc7c-7736-4057-8be8-66167278c7e9 | mp-1245065 | Insert a Mg atom in the line between atoms at indices 16 and 46, and the inserted atom must be 5.57 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Al40O60
_chemical_formula_sum "Al40 O60"
_cell_length_a 10.70168287
_cell_length_b 10.210161070000002
_cell_length_c 10.265134760000002
_cell_angle_alpha 94.11714713
_cell_angle_beta 87.6274472
_cell_angle_gamma 99.61043361999998
_... | data_image0
_chemical_formula_structural Al40O60Mg
_chemical_formula_sum "Al40 O60 Mg1"
_cell_length_a 10.70168287
_cell_length_b 10.210161070000002
_cell_length_c 10.265134760000002
_cell_angle_alpha 94.11714713
_cell_angle_beta 87.6274472
_cell_angle_gamma 99.61043361999... |
InsertBetweenAtomsAction | 6ab7c703-dcf2-4358-aba0-5b4292eed3eb | mp-769928 | Insert a Nd atom in the line between atoms at indices 2 and 5, and the inserted atom must be 1.81 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... | data_image0
_chemical_formula_structural Li4NbV3O8Nd
_chemical_formula_sum "Li4 Nb1 V3 O8 Nd1"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044... |
InsertBetweenAtomsAction | de6d3257-042f-4f1f-99f6-b9ca93df0383 | mp-26845 | Insert a Sc atom in the line between atoms at indices 27 and 24, and the inserted atom must be 1.25 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li6Mn4P6O24
_chemical_formula_sum "Li6 Mn4 P6 O24"
_cell_length_a 8.81995309
_cell_length_b 8.81995309
_cell_length_c 11.515695880000003
_cell_angle_alpha 45.84620983999999
_cell_angle_beta 45.84620983999999
_cell_angle_gamma 60.270... | data_image0
_chemical_formula_structural Li6Mn4P6O24Sc
_chemical_formula_sum "Li6 Mn4 P6 O24 Sc1"
_cell_length_a 8.81995309
_cell_length_b 8.81995309
_cell_length_c 11.515695880000003
_cell_angle_alpha 45.84620983999999
_cell_angle_beta 45.84620983999999
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 18b7bc97-5c33-4497-b66f-ab25e6b955f2 | mp-1208346 | Insert a Ga atom in the line between atoms at indices 1 and 22, and the inserted atom must be 0.68 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Tb4Fe4B16
_chemical_formula_sum "Tb4 Fe4 B16"
_cell_length_a 3.42877021
_cell_length_b 5.90351878
_cell_length_c 11.43350165
_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 Tb4Fe4B16Ga
_chemical_formula_sum "Tb4 Fe4 B16 Ga1"
_cell_length_a 3.42877021
_cell_length_b 5.90351878
_cell_length_c 11.43350165
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 13fba048-e0f8-40b0-b93b-01100be9511d | mp-1369271 | Insert a Gd atom in the line between atoms at indices 10 and 17, and the inserted atom must be 1.58 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ti2Zn4Sb2O12
_chemical_formula_sum "Ti2 Zn4 Sb2 O12"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ti2Zn4Sb2O12Gd
_chemical_formula_sum "Ti2 Zn4 Sb2 O12 Gd1"
_cell_length_a 7.86177
_cell_length_b 5.296439
_cell_length_c 5.34563952
_cell_angle_alpha 88.86624839
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 5f792891-a883-4587-9eb0-7be202082b86 | mp-2217604 | Insert a Pu atom in the line between atoms at indices 5 and 0, and the inserted atom must be 3.56 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural La2MgNi2O6
_chemical_formula_sum "La2 Mg1 Ni2 O6"
_cell_length_a 6.56906692
_cell_length_b 5.819623720000001
_cell_length_c 5.53164284
_cell_angle_alpha 68.87395837
_cell_angle_beta 65.37223024
_cell_angle_gamma 49.43208672000001
_... | data_image0
_chemical_formula_structural La2MgNi2O6Pu
_chemical_formula_sum "La2 Mg1 Ni2 O6 Pu1"
_cell_length_a 6.56906692
_cell_length_b 5.819623720000001
_cell_length_c 5.53164284
_cell_angle_alpha 68.87395837
_cell_angle_beta 65.37223024
_cell_angle_gamma 49.43208672000... |
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