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 | d7d95477-ba24-4760-a712-70993e7ef996 | mp-1223746 | Insert a Hg atom in the line between atoms at indices 16 and 18, and the inserted atom must be 1.36 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural InSb3Pb4O13
_chemical_formula_sum "In1 Sb3 Pb4 O13"
_cell_length_a 7.58615153
_cell_length_b 7.58615153
_cell_length_c 7.586150980000001
_cell_angle_alpha 60.338341190000016
_cell_angle_beta 60.338341190000016
_cell_angle_gamma 60.3... | data_image0
_chemical_formula_structural InSb3Pb4O13Hg
_chemical_formula_sum "In1 Sb3 Pb4 O13 Hg1"
_cell_length_a 7.58615153
_cell_length_b 7.58615153
_cell_length_c 7.586150980000001
_cell_angle_alpha 60.338341190000016
_cell_angle_beta 60.338341190000016
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 0d3da559-c56b-40a2-a304-340f84a3d70b | mp-1045731 | Insert a Fe atom in the line between atoms at indices 49 and 7, and the inserted atom must be 8.16 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56Fe
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56 Fe1"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_ga... |
InsertBetweenAtomsAction | cfa5de2b-5ea9-443d-92ae-a6958388a46f | mp-11726 | Insert a Os atom in the line between atoms at indices 4 and 22, and the inserted atom must be 0.76 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... | data_image0
_chemical_formula_structural La2Si8Ni18Os
_chemical_formula_sum "La2 Si8 Ni18 Os1"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_spac... |
InsertBetweenAtomsAction | 6eb814c4-8102-4f0d-8253-3ef5f206161a | mp-567505 | Insert a Ac atom in the line between atoms at indices 0 and 10, and the inserted atom must be 0.97 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Si8C8Ac
_chemical_formula_sum "Si8 C8 Ac1"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | f26f84f0-4358-429b-bca4-0c2e099243f5 | mp-557006 | Insert a Na atom in the line between atoms at indices 22 and 35, and the inserted atom must be 0.52 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Na8Sb4S4O16F12
_chemical_formula_sum "Na8 Sb4 S4 O16 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_name_... | data_image0
_chemical_formula_structural Na8Sb4S4O16F12Na
_chemical_formula_sum "Na9 Sb4 S4 O16 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_nam... |
InsertBetweenAtomsAction | a0c9d91f-3b7e-4318-81a9-573d7e65bb29 | mp-1246483 | Insert a Ca atom in the line between atoms at indices 13 and 6, and the inserted atom must be 5.17 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Li12Re2N8
_chemical_formula_sum "Li12 Re2 N8"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_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 Li12Re2N8Ca
_chemical_formula_sum "Li12 Re2 N8 Ca1"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_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 | 97019b01-13c5-4e69-9de2-8fccd345d5c8 | mp-1200471 | Insert a Rb atom in the line between atoms at indices 2 and 37, and the inserted atom must be 1.46 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural CsV3B2P4H8O22
_chemical_formula_sum "Cs1 V3 B2 P4 H8 O22"
_cell_length_a 10.54751473
_cell_length_b 10.54751473
_cell_length_c 5.1309377199999995
_cell_angle_alpha 80.72800578
_cell_angle_beta 80.72800578
_cell_angle_gamma 125.37907... | data_image0
_chemical_formula_structural CsV3B2P4H8O22Rb
_chemical_formula_sum "Cs1 V3 B2 P4 H8 O22 Rb1"
_cell_length_a 10.54751473
_cell_length_b 10.54751473
_cell_length_c 5.1309377199999995
_cell_angle_alpha 80.72800578
_cell_angle_beta 80.72800578
_cell_angle_gamma 125... |
InsertBetweenAtomsAction | 95c7ec12-2f37-4c60-8461-285d04ded944 | mp-504105 | Insert a Na atom in the line between atoms at indices 12 and 10, and the inserted atom must be 1.94 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li4P4W4O16
_chemical_formula_sum "Li4 P4 W4 O16"
_cell_length_a 4.689516
_cell_length_b 6.124034
_cell_length_c 11.217227
_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 Li4P4W4O16Na
_chemical_formula_sum "Li4 P4 W4 O16 Na1"
_cell_length_a 4.689516
_cell_length_b 6.124034
_cell_length_c 11.217227
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 14ca38c2-21d7-42b8-a415-6441864d8607 | mp-1239200 | Insert a Pd atom in the line between atoms at indices 5 and 19, and the inserted atom must be 1.72 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_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 Na8Cr16S32Pd
_chemical_formula_sum "Na8 Cr16 S32 Pd1"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 116609f6-ef80-40cd-bfc4-653d4fb47fc5 | mp-571622 | Insert a Lr atom in the line between atoms at indices 2 and 8, and the inserted atom must be 1.68 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Be12Pt
_chemical_formula_sum "Be12 Pt1"
_cell_length_a 5.53737645
_cell_length_b 5.53737645
_cell_length_c 5.537376450000001
_cell_angle_alpha 98.1544715
_cell_angle_beta 98.1544715
_cell_angle_gamma 135.75109005
_space_group_name_... | data_image0
_chemical_formula_structural Be12PtLr
_chemical_formula_sum "Be12 Pt1 Lr1"
_cell_length_a 5.53737645
_cell_length_b 5.53737645
_cell_length_c 5.537376450000001
_cell_angle_alpha 98.1544715
_cell_angle_beta 98.1544715
_cell_angle_gamma 135.75109005
_space_group... |
InsertBetweenAtomsAction | 309c74e0-9d3a-471a-acb9-7ed31d30aba0 | mp-690490 | Insert a Dy atom in the line between atoms at indices 15 and 4, and the inserted atom must be 0.85 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Ti4V4O16
_chemical_formula_sum "Ti4 V4 O16"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_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 Ti4V4O16Dy
_chemical_formula_sum "Ti4 V4 O16 Dy1"
_cell_length_a 3.003347
_cell_length_b 6.46329963
_cell_length_c 12.9995939
_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 | 0a2df888-ad02-47d4-8438-420b72eacde2 | mp-757606 | Insert a Mo atom in the line between atoms at indices 11 and 26, and the inserted atom must be 0.23 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li4Ni4P4O16
_chemical_formula_sum "Li4 Ni4 P4 O16"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96264312... | data_image0
_chemical_formula_structural Li4Ni4P4O16Mo
_chemical_formula_sum "Li4 Ni4 P4 O16 Mo1"
_cell_length_a 5.49464502
_cell_length_b 6.239611080000001
_cell_length_c 9.28187495
_cell_angle_alpha 105.10267002000002
_cell_angle_beta 80.98396444
_cell_angle_gamma 103.96... |
InsertBetweenAtomsAction | e05edf19-6ebe-43b3-97c1-1a3dbb8f7812 | mp-3188 | Insert a Yb atom in the line between atoms at indices 5 and 14, and the inserted atom must be 2.74 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Zn2Sb4O12
_chemical_formula_sum "Zn2 Sb4 O12"
_cell_length_a 4.6784296
_cell_length_b 4.6784296
_cell_length_c 9.30171104
_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 Zn2Sb4O12Yb
_chemical_formula_sum "Zn2 Sb4 O12 Yb1"
_cell_length_a 4.6784296
_cell_length_b 4.6784296
_cell_length_c 9.30171104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 9367ef06-a00f-4dc3-83b9-287336c114fe | mp-1096957 | Insert a P atom in the line between atoms at indices 20 and 65, and the inserted atom must be 4.34 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Cr24N48
_chemical_formula_sum "Cr24 N48"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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 Cr24N48P
_chemical_formula_sum "Cr24 N48 P1"
_cell_length_a 5.55733
_cell_length_b 9.009159
_cell_length_c 29.151278
_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... |
InsertBetweenAtomsAction | 1b25e118-c949-49bd-8362-fcef17f176b7 | mp-30533 | Insert a Kr atom in the line between atoms at indices 6 and 0, and the inserted atom must be 2.39 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural K2Pt4S6
_chemical_formula_sum "K2 Pt4 S6"
_cell_length_a 7.6089531
_cell_length_b 7.60895477
_cell_length_c 7.60895312
_cell_angle_alpha 55.51466393000001
_cell_angle_beta 55.51466044
_cell_angle_gamma 55.51466319
_space_group_name... | data_image0
_chemical_formula_structural K2Pt4S6Kr
_chemical_formula_sum "K2 Pt4 S6 Kr1"
_cell_length_a 7.6089531
_cell_length_b 7.60895477
_cell_length_c 7.60895312
_cell_angle_alpha 55.51466393000001
_cell_angle_beta 55.51466044
_cell_angle_gamma 55.51466319
_space_grou... |
InsertBetweenAtomsAction | 75d44116-e2d7-4d27-b219-9822090579c1 | mp-1229042 | Insert a Fr atom in the line between atoms at indices 2 and 0, and the inserted atom must be 1.86 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Al9Fe2Si4O24
_chemical_formula_sum "Al9 Fe2 Si4 O24"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_space_gro... | data_image0
_chemical_formula_structural Al9Fe2Si4O24Fr
_chemical_formula_sum "Al9 Fe2 Si4 O24 Fr1"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_spa... |
InsertBetweenAtomsAction | babc988d-9ede-4068-bbf1-2f4c5ac8ad65 | mp-1016342 | Insert a Ts atom in the line between atoms at indices 5 and 0, and the inserted atom must be 4.29 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Sr2Mg12Sb2
_chemical_formula_sum "Sr2 Mg12 Sb2"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_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 Sr2Mg12Sb2Ts
_chemical_formula_sum "Sr2 Mg12 Sb2 Ts1"
_cell_length_a 5.19019
_cell_length_b 6.954601
_cell_length_c 11.657676
_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 | 2b21c555-4487-41d3-972f-f48030b1d1b5 | mp-1213157 | Insert a Pu atom in the line between atoms at indices 7 and 5, and the inserted atom must be 2.22 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural CsScW2O8
_chemical_formula_sum "Cs1 Sc1 W2 O8"
_cell_length_a 5.9272544
_cell_length_b 5.9272544
_cell_length_c 8.105797
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural CsScW2O8Pu
_chemical_formula_sum "Cs1 Sc1 W2 O8 Pu1"
_cell_length_a 5.9272544
_cell_length_b 5.9272544
_cell_length_c 8.105797
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 2cb6776d-443b-4367-b69f-d46cb6a6fd0e | mp-1349418 | Insert a Xe atom in the line between atoms at indices 16 and 41, and the inserted atom must be 3.85 angstrom from atom at 16 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 Mg4Mo12O28Xe
_chemical_formula_sum "Mg4 Mo12 O28 Xe1"
_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 | d51fd45d-e85f-49c6-b259-eea32b399c06 | mp-19873 | Insert a Hg atom in the line between atoms at indices 6 and 8, and the inserted atom must be 0.61 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Dy4Si4Ru4
_chemical_formula_sum "Dy4 Si4 Ru4"
_cell_length_a 4.34407646
_cell_length_b 6.98785418
_cell_length_c 7.00979702
_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 Dy4Si4Ru4Hg
_chemical_formula_sum "Dy4 Si4 Ru4 Hg1"
_cell_length_a 4.34407646
_cell_length_b 6.98785418
_cell_length_c 7.00979702
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | facdcf52-088a-4750-9749-65a335c74772 | mp-1352636 | Insert a Lv atom in the line between atoms at indices 7 and 4, and the inserted atom must be 2.75 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Y4Cr12O36
_chemical_formula_sum "Y4 Cr12 O36"
_cell_length_a 5.574485
_cell_length_b 8.04990414
_cell_length_c 16.05674558
_cell_angle_alpha 90.17412906
_cell_angle_beta 90.07333635
_cell_angle_gamma 90.2540626
_space_group_name_H-... | data_image0
_chemical_formula_structural Y4Cr12O36Lv
_chemical_formula_sum "Y4 Cr12 O36 Lv1"
_cell_length_a 5.574485
_cell_length_b 8.04990414
_cell_length_c 16.05674558
_cell_angle_alpha 90.17412906
_cell_angle_beta 90.07333635
_cell_angle_gamma 90.2540626
_space_group_n... |
InsertBetweenAtomsAction | b9e1d44e-dfb6-4cc7-be3e-b1b21706ad9a | mp-1003545 | Insert a He atom in the line between atoms at indices 6 and 11, and the inserted atom must be 1.62 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural MgMn4O8
_chemical_formula_sum "Mg1 Mn4 O8"
_cell_length_a 5.279668
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
_space_gr... | data_image0
_chemical_formula_structural MgMn4O8He
_chemical_formula_sum "Mg1 Mn4 O8 He1"
_cell_length_a 5.279668
_cell_length_b 5.81958142
_cell_length_c 5.97625424
_cell_angle_alpha 117.59770881999998
_cell_angle_beta 89.56144663
_cell_angle_gamma 108.09900792999998
_sp... |
InsertBetweenAtomsAction | c806cfad-a372-4f98-aafc-ed5df6f56678 | mp-1245618 | Insert a As atom in the line between atoms at indices 1 and 6, and the inserted atom must be 1.94 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ge4Te2N4
_chemical_formula_sum "Ge4 Te2 N4"
_cell_length_a 6.99902437
_cell_length_b 5.90248045
_cell_length_c 5.3053502
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.93971298
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ge4Te2N4As
_chemical_formula_sum "Ge4 Te2 N4 As1"
_cell_length_a 6.99902437
_cell_length_b 5.90248045
_cell_length_c 5.3053502
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 114.93971298
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | c1142160-a8f9-4754-96a2-045c4771dee9 | mp-28092 | Insert a Sc atom in the line between atoms at indices 47 and 89, and the inserted atom must be 3.27 angstrom from atom at 47 in the cif file. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H52O2Sc
_chemical_formula_sum "B40 H52 O2 Sc1"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_grou... |
InsertBetweenAtomsAction | b3e488d2-b7c7-48db-84d8-fa5bbde8b048 | mp-6858 | Insert a Sr atom in the line between atoms at indices 16 and 10, and the inserted atom must be 3.49 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Rb2C2S2O6F6
_chemical_formula_sum "Rb2 C2 S2 O6 F6"
_cell_length_a 5.86024
_cell_length_b 5.285758
_cell_length_c 10.58239184
_cell_angle_alpha 76.40932463
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Rb2C2S2O6F6Sr
_chemical_formula_sum "Rb2 C2 S2 O6 F6 Sr1"
_cell_length_a 5.86024
_cell_length_b 5.285758
_cell_length_c 10.58239184
_cell_angle_alpha 76.40932463
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 046cd299-76b8-42de-b4b5-4dda4a5d7f43 | mp-561525 | Insert a H atom in the line between atoms at indices 9 and 30, and the inserted atom must be 0.78 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural K6Ga6B6O21
_chemical_formula_sum "K6 Ga6 B6 O21"
_cell_length_a 8.67961741
_cell_length_b 8.67961741
_cell_length_c 8.865656
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999549000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K6Ga6B6O21H
_chemical_formula_sum "K6 Ga6 B6 O21 H1"
_cell_length_a 8.67961741
_cell_length_b 8.67961741
_cell_length_c 8.865656
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999549000002
_space_group_name_H-... |
InsertBetweenAtomsAction | 77922624-377d-405d-bcd7-519e3312dfe7 | mp-1028157 | Insert a Tb 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 Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg14MnCuTb
_chemical_formula_sum "Mg14 Mn1 Cu1 Tb1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | bd72a5e5-24ae-42b5-a41c-0da1050eec3e | mp-27209 | Insert a Gd atom in the line between atoms at indices 33 and 14, and the inserted atom must be 6.40 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural K6Tl6F24
_chemical_formula_sum "K6 Tl6 F24"
_cell_length_a 8.07226259
_cell_length_b 8.07224347
_cell_length_c 10.17799314
_cell_angle_alpha 89.99942524000001
_cell_angle_beta 90.00111425
_cell_angle_gamma 119.99882286999998
_space... | data_image0
_chemical_formula_structural K6Tl6F24Gd
_chemical_formula_sum "K6 Tl6 F24 Gd1"
_cell_length_a 8.07226259
_cell_length_b 8.07224347
_cell_length_c 10.17799314
_cell_angle_alpha 89.99942524000001
_cell_angle_beta 90.00111425
_cell_angle_gamma 119.99882286999998
... |
InsertBetweenAtomsAction | 88240e0c-20d8-40a2-9185-ad31ba713e78 | mp-24674 | Insert a Tl atom in the line between atoms at indices 32 and 25, and the inserted atom must be 6.09 angstrom from atom at 32 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 Be6P4H8O20Tl
_chemical_formula_sum "Be6 P4 H8 O20 Tl1"
_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 | 275f4b9d-97ff-460c-afae-67b440844701 | mp-1216939 | Insert a Rb atom in the line between atoms at indices 38 and 3, and the inserted atom must be 0.47 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Ti8Te8O24F16
_chemical_formula_sum "Ti8 Te8 O24 F16"
_cell_length_a 7.522666
_cell_length_b 6.628403
_cell_length_c 18.074032869999996
_cell_angle_alpha 68.4806878
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ti8Te8O24F16Rb
_chemical_formula_sum "Ti8 Te8 O24 F16 Rb1"
_cell_length_a 7.522666
_cell_length_b 6.628403
_cell_length_c 18.074032869999996
_cell_angle_alpha 68.4806878
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | ee33acb1-c8eb-4cef-8bb2-019cae06c82c | mp-1196290 | Insert a C atom in the line between atoms at indices 3 and 36, and the inserted atom must be 3.10 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ge4P8O36
_chemical_formula_sum "Ge4 P8 O36"
_cell_length_a 4.876505
_cell_length_b 8.41757901
_cell_length_c 15.602034999999999
_cell_angle_alpha 99.61125826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ge4P8O36C
_chemical_formula_sum "Ge4 P8 O36 C1"
_cell_length_a 4.876505
_cell_length_b 8.41757901
_cell_length_c 15.602034999999999
_cell_angle_alpha 99.61125826
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | b6841e93-55c3-4181-9907-a177b97cd1a7 | mp-1233619 | Insert a C atom in the line between atoms at indices 14 and 15, and the inserted atom must be 2.29 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16"
_cell_length_a 5.56800446
_cell_length_b 7.7546931
_cell_length_c 10.101868360000001
_cell_angle_alpha 112.66910609
_cell_angle_beta 96.09810579
_cell_angle_gamma 91.71... | data_image0
_chemical_formula_structural Sr2MgZn2Sn2P4O16C
_chemical_formula_sum "Sr2 Mg1 Zn2 Sn2 P4 O16 C1"
_cell_length_a 5.56800446
_cell_length_b 7.7546931
_cell_length_c 10.101868360000001
_cell_angle_alpha 112.66910609
_cell_angle_beta 96.09810579
_cell_angle_gamma 9... |
InsertBetweenAtomsAction | 0e6214c5-5eca-4a19-b689-8031b3947cdf | mp-1210057 | Insert a Pt atom in the line between atoms at indices 2 and 21, and the inserted atom must be 1.85 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural P6Pb10Br2O24
_chemical_formula_sum "P6 Pb10 Br2 O24"
_cell_length_a 10.24810365
_cell_length_b 10.248103649999997
_cell_length_c 7.361383
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999774
_space_group_name... | data_image0
_chemical_formula_structural P6Pb10Br2O24Pt
_chemical_formula_sum "P6 Pb10 Br2 O24 Pt1"
_cell_length_a 10.24810365
_cell_length_b 10.248103649999997
_cell_length_c 7.361383
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999774
_space_grou... |
InsertBetweenAtomsAction | f4437c8b-5d02-4352-9343-fc2b0d43d4c7 | mp-1214717 | Insert a Sb atom in the line between atoms at indices 33 and 5, and the inserted atom must be 1.66 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30
_chemical_formula_sum "Ba6 Sr4 Re6 Cl2 O30"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 7.820346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999792
_space_group_name... | data_image0
_chemical_formula_structural Ba6Sr4Re6Cl2O30Sb
_chemical_formula_sum "Ba6 Sr4 Re6 Cl2 O30 Sb1"
_cell_length_a 10.90359366
_cell_length_b 10.90359366
_cell_length_c 7.820346
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999792
_space_grou... |
InsertBetweenAtomsAction | 08aa8461-3352-4a9f-a583-a4af96800afd | mp-18411 | Insert a Cu atom in the line between atoms at indices 21 and 4, and the inserted atom must be 2.36 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Na12Ge4Se12
_chemical_formula_sum "Na12 Ge4 Se12"
_cell_length_a 11.90035661
_cell_length_b 8.2376087
_cell_length_c 8.37020124
_cell_angle_alpha 60.720833670000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na12Ge4Se12Cu
_chemical_formula_sum "Na12 Ge4 Se12 Cu1"
_cell_length_a 11.90035661
_cell_length_b 8.2376087
_cell_length_c 8.37020124
_cell_angle_alpha 60.720833670000005
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | 5625ed46-3ae2-4567-bf2c-dc803db4d5c8 | mp-684504 | Insert a Sn atom in the line between atoms at indices 20 and 19, and the inserted atom must be 5.72 angstrom from atom at 20 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 Li12Bi8P12O48Sn
_chemical_formula_sum "Li12 Bi8 P12 O48 Sn1"
_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 | e2ed56e5-abd9-4deb-b67d-ba8142ebd3fc | mp-989647 | Insert a Rn atom in the line between atoms at indices 2 and 4, and the inserted atom must be 1.81 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_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 Y4Re4N12Rn
_chemical_formula_sum "Y4 Re4 N12 Rn1"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | e453b296-9817-407d-892a-34d21ed06e88 | mp-1219159 | Insert a Zn atom in the line between atoms at indices 5 and 10, and the inserted atom must be 2.49 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Sm6Ge3S14
_chemical_formula_sum "Sm6 Ge3 S14"
_cell_length_a 10.12390165
_cell_length_b 10.123891029999998
_cell_length_c 5.7705172099999995
_cell_angle_alpha 90.00000796
_cell_angle_beta 90.00005113
_cell_angle_gamma 119.9998358499... | data_image0
_chemical_formula_structural Sm6Ge3S14Zn
_chemical_formula_sum "Sm6 Ge3 S14 Zn1"
_cell_length_a 10.12390165
_cell_length_b 10.123891029999998
_cell_length_c 5.7705172099999995
_cell_angle_alpha 90.00000796
_cell_angle_beta 90.00005113
_cell_angle_gamma 119.9998... |
InsertBetweenAtomsAction | 09722e2e-b75e-40fd-9032-3fa5b413cca6 | mp-542176 | Insert a Eu atom in the line between atoms at indices 23 and 9, and the inserted atom must be 10.57 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Cu4H32C16O20
_chemical_formula_sum "Cu4 H32 C16 O20"
_cell_length_a 7.97846796
_cell_length_b 7.97846796
_cell_length_c 13.94462419
_cell_angle_alpha 68.02758242999998
_cell_angle_beta 68.02758242999998
_cell_angle_gamma 66.35535008... | data_image0
_chemical_formula_structural Cu4H32C16O20Eu
_chemical_formula_sum "Cu4 H32 C16 O20 Eu1"
_cell_length_a 7.97846796
_cell_length_b 7.97846796
_cell_length_c 13.94462419
_cell_angle_alpha 68.02758242999998
_cell_angle_beta 68.02758242999998
_cell_angle_gamma 66.35... |
InsertBetweenAtomsAction | 19eaacf2-ba6e-4449-b30f-eafb048cf065 | mp-759549 | Insert a Sn atom in the line between atoms at indices 7 and 20, and the inserted atom must be 3.89 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mn2P8O24
_chemical_formula_sum "Mn2 P8 O24"
_cell_length_a 8.773979
_cell_length_b 7.132297
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mn2P8O24Sn
_chemical_formula_sum "Mn2 P8 O24 Sn1"
_cell_length_a 8.773979
_cell_length_b 7.132297
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 1e23279a-d682-4338-9182-06c204bacfec | mp-7596 | Insert a Pr atom in the line between atoms at indices 9 and 3, and the inserted atom must be 1.15 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Nb4N4O4
_chemical_formula_sum "Nb4 N4 O4"
_cell_length_a 5.02537217
_cell_length_b 5.08412688
_cell_length_c 5.24459321
_cell_angle_alpha 90.0
_cell_angle_beta 99.61597434
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Nb4N4O4Pr
_chemical_formula_sum "Nb4 N4 O4 Pr1"
_cell_length_a 5.02537217
_cell_length_b 5.08412688
_cell_length_c 5.24459321
_cell_angle_alpha 90.0
_cell_angle_beta 99.61597434
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 8b7eb24d-a078-48c8-bd52-1c3565549058 | mp-1221993 | Insert a Re atom in the line between atoms at indices 4 and 6, and the inserted atom must be 2.73 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Mg2Zr2Si4O14
_chemical_formula_sum "Mg2 Zr2 Si4 O14"
_cell_length_a 6.62699437
_cell_length_b 6.62699437
_cell_length_c 6.62699437
_cell_angle_alpha 120.81728044000002
_cell_angle_beta 118.77618471
_cell_angle_gamma 90.3614645500000... | data_image0
_chemical_formula_structural Mg2Zr2Si4O14Re
_chemical_formula_sum "Mg2 Zr2 Si4 O14 Re1"
_cell_length_a 6.62699437
_cell_length_b 6.62699437
_cell_length_c 6.62699437
_cell_angle_alpha 120.81728044000002
_cell_angle_beta 118.77618471
_cell_angle_gamma 90.3614645... |
InsertBetweenAtomsAction | a4f97468-cf19-4379-aa33-a5f327d60289 | mp-26845 | Insert a Ne atom in the line between atoms at indices 10 and 25, and the inserted atom must be 1.56 angstrom from atom at 10 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 Li6Mn4P6O24Ne
_chemical_formula_sum "Li6 Mn4 P6 O24 Ne1"
_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 | 524acac0-9085-4903-a80b-2836aad30f23 | mp-1208346 | Insert a Rb atom in the line between atoms at indices 17 and 5, and the inserted atom must be 1.28 angstrom from atom at 17 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 Tb4Fe4B16Rb
_chemical_formula_sum "Tb4 Fe4 B16 Rb1"
_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 | 0030ef22-8c03-4c07-b325-9c024b980e9c | mp-800259 | Insert a Pa atom in the line between atoms at indices 1 and 7, and the inserted atom must be 0.64 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... | data_image0
_chemical_formula_structural Li5Cr3FeO8Pa
_chemical_formula_sum "Li5 Cr3 Fe1 O8 Pa1"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950... |
InsertBetweenAtomsAction | 636f19f8-6dbe-4edf-b25c-0e4567d5baae | mp-1211033 | Insert a Og atom in the line between atoms at indices 8 and 6, and the inserted atom must be 4.83 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Lu12In2Fe3
_chemical_formula_sum "Lu12 In2 Fe3"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_space_... | data_image0
_chemical_formula_structural Lu12In2Fe3Og
_chemical_formula_sum "Lu12 In2 Fe3 Og1"
_cell_length_a 8.15749244
_cell_length_b 8.15748797
_cell_length_c 8.15752811
_cell_angle_alpha 108.89905187
_cell_angle_beta 108.89905825
_cell_angle_gamma 110.62113047000001
_... |
InsertBetweenAtomsAction | 816366ed-a42f-40cd-9514-7e4700ba1192 | mp-704406 | Insert a Bk atom in the line between atoms at indices 46 and 44, and the inserted atom must be 2.90 angstrom from atom at 46 in the cif file. | data_image0
_chemical_formula_structural U9Mo18O72
_chemical_formula_sum "U9 Mo18 O72"
_cell_length_a 17.73976239
_cell_length_b 17.73976239
_cell_length_c 6.219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000145999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U9Mo18O72Bk
_chemical_formula_sum "U9 Mo18 O72 Bk1"
_cell_length_a 17.73976239
_cell_length_b 17.73976239
_cell_length_c 6.219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000145999998
_space_group_name_H-M_... |
InsertBetweenAtomsAction | c1c3b386-0f17-4a08-ad74-5ec0442671b0 | mp-1045114 | Insert a Md atom in the line between atoms at indices 23 and 10, and the inserted atom must be 2.83 angstrom from atom at 23 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 Al2V6Se4Cl2O16Md
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16 Md1"
_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 | 5fd5e37c-add9-4377-a71d-c309d20d4046 | mp-1111627 | Insert a Ir atom in the line between atoms at indices 9 and 8, and the inserted atom must be 2.58 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural K2NaPdF6
_chemical_formula_sum "K2 Na1 Pd1 F6"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2NaPdF6Ir
_chemical_formula_sum "K2 Na1 Pd1 F6 Ir1"
_cell_length_a 6.08531146
_cell_length_b 6.08531146
_cell_length_c 6.08531146
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... |
InsertBetweenAtomsAction | 59c6b681-38ce-42f0-864b-5ad81115513c | mp-1195295 | Insert a Ti atom in the line between atoms at indices 40 and 29, and the inserted atom must be 4.03 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Ca4Fe20O28
_chemical_formula_sum "Ca4 Fe20 O28"
_cell_length_a 5.39499771
_cell_length_b 6.16721836
_cell_length_c 18.023941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.70444981
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca4Fe20O28Ti
_chemical_formula_sum "Ca4 Fe20 O28 Ti1"
_cell_length_a 5.39499771
_cell_length_b 6.16721836
_cell_length_c 18.023941
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.70444981
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 615d06b1-b8cf-471a-a743-b3ca00bb269c | mp-1196284 | Insert a Cf atom in the line between atoms at indices 48 and 17, and the inserted atom must be 7.26 angstrom from atom at 48 in the cif file. | data_image0
_chemical_formula_structural U6Al38Ni10
_chemical_formula_sum "U6 Al38 Ni10"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U6Al38Ni10Cf
_chemical_formula_sum "U6 Al38 Ni10 Cf1"
_cell_length_a 8.18645193
_cell_length_b 8.18645193
_cell_length_c 26.861989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.21855284
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | a5a1e250-c9e3-45b3-a542-92226a0dc081 | mp-28263 | Insert a Rb atom in the line between atoms at indices 8 and 1, and the inserted atom must be 2.36 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural K4H12O8
_chemical_formula_sum "K4 H12 O8"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural K4H12O8Rb
_chemical_formula_sum "K4 H12 O8 Rb1"
_cell_length_a 5.69184007
_cell_length_b 5.7809945
_cell_length_c 7.87531014
_cell_angle_alpha 70.21423391
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | ab93d806-92a8-47a4-8cb1-1ef281599371 | mp-1224446 | Insert a Nh atom in the line between atoms at indices 5 and 2, and the inserted atom must be 2.60 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural Hf3TaFe8Nh
_chemical_formula_sum "Hf3 Ta1 Fe8 Nh1"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space... |
InsertBetweenAtomsAction | 195a33e3-6b0c-4d35-88c8-c6d872ba3a8d | mp-766284 | Insert a Mc atom in the line between atoms at indices 54 and 25, and the inserted atom must be 5.58 angstrom from atom at 54 in the cif file. | data_image0
_chemical_formula_structural Sr16Ru12O48
_chemical_formula_sum "Sr16 Ru12 O48"
_cell_length_a 5.576479
_cell_length_b 9.793504
_cell_length_c 18.332635
_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 Sr16Ru12O48Mc
_chemical_formula_sum "Sr16 Ru12 O48 Mc1"
_cell_length_a 5.576479
_cell_length_b 9.793504
_cell_length_c 18.332635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 5cf2ad2c-6803-45c9-a051-b46440aa0114 | mp-1205906 | Insert a Re atom in the line between atoms at indices 7 and 16, and the inserted atom must be 2.55 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural K2Mn2I2O12
_chemical_formula_sum "K2 Mn2 I2 O12"
_cell_length_a 5.12804591
_cell_length_b 5.12804591
_cell_length_c 12.256575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K2Mn2I2O12Re
_chemical_formula_sum "K2 Mn2 I2 O12 Re1"
_cell_length_a 5.12804591
_cell_length_b 5.12804591
_cell_length_c 12.256575
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_name... |
InsertBetweenAtomsAction | 7d3553ab-4e7e-4dab-8987-6553e7e14441 | mp-1043615 | Insert a Co atom in the line between atoms at indices 32 and 16, and the inserted atom must be 1.17 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Mn6Zn2P8O28
_chemical_formula_sum "Mn6 Zn2 P8 O28"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 9.902182270000003
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn6Zn2P8O28Co
_chemical_formula_sum "Mn6 Zn2 P8 O28 Co1"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 9.902182270000003
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | e94a8bd3-6b9d-4563-bda9-bb7fa269789c | mp-1233729 | Insert a Sg atom in the line between atoms at indices 13 and 8, and the inserted atom must be 0.66 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural MgZn4Co6O16
_chemical_formula_sum "Mg1 Zn4 Co6 O16"
_cell_length_a 5.77630383
_cell_length_b 5.89151648
_cell_length_c 9.98240859
_cell_angle_alpha 87.77596076
_cell_angle_beta 91.08734965
_cell_angle_gamma 119.54466654
_space_grou... | data_image0
_chemical_formula_structural MgZn4Co6O16Sg
_chemical_formula_sum "Mg1 Zn4 Co6 O16 Sg1"
_cell_length_a 5.77630383
_cell_length_b 5.89151648
_cell_length_c 9.98240859
_cell_angle_alpha 87.77596076
_cell_angle_beta 91.08734965
_cell_angle_gamma 119.54466654
_spac... |
InsertBetweenAtomsAction | 6735939f-a639-41f9-8abf-585c9cda4b26 | mp-26956 | Insert a At atom in the line between atoms at indices 22 and 52, and the inserted atom must be 2.07 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural V4P16O48At
_chemical_formula_sum "V4 P16 O48 At1"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
InsertBetweenAtomsAction | 41707ccb-a2fe-4774-9453-27a521fc1812 | mp-627591 | Insert a Rn atom in the line between atoms at indices 15 and 19, and the inserted atom must be 1.24 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_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 Fe8Si4S16Rn
_chemical_formula_sum "Fe8 Si4 S16 Rn1"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_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 | bb258152-0090-466a-8b4b-8f64d0c0eca3 | mp-1190970 | Insert a Rf atom in the line between atoms at indices 0 and 20, and the inserted atom must be 5.96 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Dy6Re2B14
_chemical_formula_sum "Dy6 Re2 B14"
_cell_length_a 8.09792605
_cell_length_b 8.09792605
_cell_length_c 9.363645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 154.74998492
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Dy6Re2B14Rf
_chemical_formula_sum "Dy6 Re2 B14 Rf1"
_cell_length_a 8.09792605
_cell_length_b 8.09792605
_cell_length_c 9.363645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 154.74998492
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 864165b6-200a-491f-9e07-d789cadd5912 | mp-2196 | Insert a Md atom in the line between atoms at indices 7 and 12, and the inserted atom must be 5.36 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ba6Sb12
_chemical_formula_sum "Ba6 Sb12"
_cell_length_a 4.4286625
_cell_length_b 11.92156711
_cell_length_c 12.693525489999999
_cell_angle_alpha 101.41346017
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6Sb12Md
_chemical_formula_sum "Ba6 Sb12 Md1"
_cell_length_a 4.4286625
_cell_length_b 11.92156711
_cell_length_c 12.693525489999999
_cell_angle_alpha 101.41346017
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 1ccb3807-294f-4e1e-90b9-fff18e64ae0a | mp-1247503 | Insert a Nh atom in the line between atoms at indices 4 and 5, and the inserted atom must be 2.00 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Mn4Cu2N4
_chemical_formula_sum "Mn4 Cu2 N4"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_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 Mn4Cu2N4Nh
_chemical_formula_sum "Mn4 Cu2 N4 Nh1"
_cell_length_a 2.852414
_cell_length_b 2.850546
_cell_length_c 12.150266
_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 | 40b5323f-9694-4ea3-9808-8572034781ab | mp-759335 | Insert a Cl atom in the line between atoms at indices 57 and 33, and the inserted atom must be 2.36 angstrom from atom at 57 in the cif file. | data_image0
_chemical_formula_structural Li10V6P16O58
_chemical_formula_sum "Li10 V6 P16 O58"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space_group... | data_image0
_chemical_formula_structural Li10V6P16O58Cl
_chemical_formula_sum "Li10 V6 P16 O58 Cl1"
_cell_length_a 9.790742
_cell_length_b 9.80038608
_cell_length_c 14.10371707
_cell_angle_alpha 89.55844878
_cell_angle_beta 89.37286967
_cell_angle_gamma 60.21795085
_space... |
InsertBetweenAtomsAction | 019d766f-4ba2-4682-9777-45a4368947bb | mp-1207697 | Insert a Be atom in the line between atoms at indices 6 and 4, and the inserted atom must be 1.50 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Zr3CuF6
_chemical_formula_sum "Zr3 Cu1 F6"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_name_H... | data_image0
_chemical_formula_structural Zr3CuF6Be
_chemical_formula_sum "Zr3 Cu1 F6 Be1"
_cell_length_a 5.91990173
_cell_length_b 5.46689964
_cell_length_c 14.99135978
_cell_angle_alpha 107.07052544
_cell_angle_beta 54.69426013
_cell_angle_gamma 122.7301337
_space_group_... |
InsertBetweenAtomsAction | 110ab1b7-b05d-493f-9f5c-07602f5553d3 | mp-754739 | Insert a Bk atom in the line between atoms at indices 3 and 1, and the inserted atom must be 0.44 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ca2Be6O8
_chemical_formula_sum "Ca2 Be6 O8"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca2Be6O8Bk
_chemical_formula_sum "Ca2 Be6 O8 Bk1"
_cell_length_a 4.57656117
_cell_length_b 4.57656117
_cell_length_c 8.786886
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998806
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 54ee3843-1a8c-4b20-9eea-fc23833b837a | mp-13413 | Insert a Lu atom in the line between atoms at indices 18 and 6, and the inserted atom must be 1.90 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Th4Cu20Sn4
_chemical_formula_sum "Th4 Cu20 Sn4"
_cell_length_a 5.05406776
_cell_length_b 8.30553472
_cell_length_c 10.56519443
_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 Th4Cu20Sn4Lu
_chemical_formula_sum "Th4 Cu20 Sn4 Lu1"
_cell_length_a 5.05406776
_cell_length_b 8.30553472
_cell_length_c 10.56519443
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | c752f104-db35-408b-8927-06c8f5d51cb7 | mp-1099629 | Insert a Db atom in the line between atoms at indices 33 and 27, and the inserted atom must be 4.75 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural K2Na6V5Mo3O24
_chemical_formula_sum "K2 Na6 V5 Mo3 O24"
_cell_length_a 7.746854
_cell_length_b 7.74646
_cell_length_c 7.749562620000001
_cell_angle_alpha 89.96294417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural K2Na6V5Mo3O24Db
_chemical_formula_sum "K2 Na6 V5 Mo3 O24 Db1"
_cell_length_a 7.746854
_cell_length_b 7.74646
_cell_length_c 7.749562620000001
_cell_angle_alpha 89.96294417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | 9859270f-e8ef-4f73-9481-6bf4b6be8db9 | mp-1214497 | Insert a Ta atom in the line between atoms at indices 21 and 5, and the inserted atom must be 4.12 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Ba10P6O24F2
_chemical_formula_sum "Ba10 P6 O24 F2"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10P6O24F2Ta
_chemical_formula_sum "Ba10 P6 O24 F2 Ta1"
_cell_length_a 10.36526542
_cell_length_b 10.36526542
_cell_length_c 7.792644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999628
_space_group_name_H-... |
InsertBetweenAtomsAction | 36a4e6ab-0e2a-42f7-b407-95f5b745a138 | mp-560602 | Insert a C atom in the line between atoms at indices 1 and 12, and the inserted atom must be 1.61 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural O24
_chemical_formula_sum "O24"
_cell_length_a 6.65259782
_cell_length_b 6.76810209
_cell_length_c 7.45043691
_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 O24C
_chemical_formula_sum "O24 C1"
_cell_length_a 6.65259782
_cell_length_b 6.76810209
_cell_length_c 7.45043691
_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... |
InsertBetweenAtomsAction | 2da6355b-8b9d-4b0a-97d1-e6a1abee5da1 | mp-1103985 | Insert a As atom in the line between atoms at indices 5 and 4, and the inserted atom must be 3.26 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... | data_image0
_chemical_formula_structural Nd9Pt6As
_chemical_formula_sum "Nd9 Pt6 As1"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.389404199... |
InsertBetweenAtomsAction | 73af5a95-f457-4a98-ba5b-c07841e13abd | mp-1215754 | Insert a Np atom in the line between atoms at indices 1 and 12, and the inserted atom must be 1.31 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Zr4Ti6Si6
_chemical_formula_sum "Zr4 Ti6 Si6"
_cell_length_a 5.466895
_cell_length_b 7.71310896
_cell_length_c 7.715738230000001
_cell_angle_alpha 119.98872028999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Zr4Ti6Si6Np
_chemical_formula_sum "Zr4 Ti6 Si6 Np1"
_cell_length_a 5.466895
_cell_length_b 7.71310896
_cell_length_c 7.715738230000001
_cell_angle_alpha 119.98872028999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | 8e51ec39-e9ad-46d9-9eb0-8f0139f43864 | mp-1096432 | Insert a Ds atom in the line between atoms at indices 67 and 44, and the inserted atom must be 3.53 angstrom from atom at 67 in the cif file. | data_image0
_chemical_formula_structural Ce24Se48
_chemical_formula_sum "Ce24 Se48"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_group_na... | data_image0
_chemical_formula_structural Ce24Se48Ds
_chemical_formula_sum "Ce24 Se48 Ds1"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_gr... |
InsertBetweenAtomsAction | df028e34-8661-41b8-9753-ecae02ebd7a1 | mp-1098369 | Insert a C atom in the line between atoms at indices 21 and 60, and the inserted atom must be 0.92 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Mg30TiCrO32
_chemical_formula_sum "Mg30 Ti1 Cr1 O32"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_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 Mg30TiCrO32C
_chemical_formula_sum "Mg30 Ti1 Cr1 O32 C1"
_cell_length_a 8.596304
_cell_length_b 8.514833
_cell_length_c 8.514833
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 63b6ad7e-dd53-46ae-885d-e606bfc43f96 | mp-2229629 | Insert a Lr atom in the line between atoms at indices 6 and 10, and the inserted atom must be 5.15 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Na2MgNb2Cu4S8
_chemical_formula_sum "Na2 Mg1 Nb2 Cu4 S8"
_cell_length_a 5.68901859
_cell_length_b 7.71768654
_cell_length_c 9.74954143
_cell_angle_alpha 90.59259283
_cell_angle_beta 106.96324873
_cell_angle_gamma 90.00000094
_space... | data_image0
_chemical_formula_structural Na2MgNb2Cu4S8Lr
_chemical_formula_sum "Na2 Mg1 Nb2 Cu4 S8 Lr1"
_cell_length_a 5.68901859
_cell_length_b 7.71768654
_cell_length_c 9.74954143
_cell_angle_alpha 90.59259283
_cell_angle_beta 106.96324873
_cell_angle_gamma 90.00000094
... |
InsertBetweenAtomsAction | 1400d25e-9c24-40df-93e7-8930e3bca27d | mp-652326 | Insert a Np atom in the line between atoms at indices 44 and 7, and the inserted atom must be 5.16 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural Fe6C18S4O18
_chemical_formula_sum "Fe6 C18 S4 O18"
_cell_length_a 6.886245
_cell_length_b 9.21092479
_cell_length_c 13.18122565
_cell_angle_alpha 93.98866673999999
_cell_angle_beta 94.12941676
_cell_angle_gamma 111.17747912
_space_... | data_image0
_chemical_formula_structural Fe6C18S4O18Np
_chemical_formula_sum "Fe6 C18 S4 O18 Np1"
_cell_length_a 6.886245
_cell_length_b 9.21092479
_cell_length_c 13.18122565
_cell_angle_alpha 93.98866673999999
_cell_angle_beta 94.12941676
_cell_angle_gamma 111.17747912
_... |
InsertBetweenAtomsAction | e160a09e-bb52-4ed3-bb4b-144dd49c1e1d | mp-1520090 | Insert a O atom in the line between atoms at indices 4 and 7, and the inserted atom must be 1.55 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural LiLaFe4O12
_chemical_formula_sum "Li1 La1 Fe4 O12"
_cell_length_a 5.25865836
_cell_length_b 5.25865836
_cell_length_c 7.74007929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.18608768000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural LiLaFe4O13
_chemical_formula_sum "Li1 La1 Fe4 O13"
_cell_length_a 5.25865836
_cell_length_b 5.25865836
_cell_length_c 7.74007929
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 91.18608768000001
_space_group_name_H-M... |
InsertBetweenAtomsAction | fc2f753c-862f-4cd9-8ed6-717b88842f3d | mp-760196 | Insert a C atom in the line between atoms at indices 4 and 38, and the inserted atom must be 0.50 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Cr8O8F32
_chemical_formula_sum "Cr8 O8 F32"
_cell_length_a 16.88848
_cell_length_b 5.548289
_cell_length_c 8.06305272
_cell_angle_alpha 89.13883818
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Cr8O8F32C
_chemical_formula_sum "Cr8 O8 F32 C1"
_cell_length_a 16.88848
_cell_length_b 5.548289
_cell_length_c 8.06305272
_cell_angle_alpha 89.13883818
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 08f1b165-a56c-4200-b43b-132fa188dd2b | mp-768946 | Insert a Pr atom in the line between atoms at indices 13 and 14, and the inserted atom must be 0.67 angstrom from atom at 13 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 Li8Cr6Co2O16Pr
_chemical_formula_sum "Li8 Cr6 Co2 O16 Pr1"
_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
_spa... |
InsertBetweenAtomsAction | 6224a3db-a76d-434c-a726-7bab5238ddb6 | mp-558325 | Insert a Se atom in the line between atoms at indices 5 and 14, and the inserted atom must be 1.31 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural K2YNb5O15
_chemical_formula_sum "K2 Y1 Nb5 O15"
_cell_length_a 9.35185659
_cell_length_b 9.351856590000002
_cell_length_c 3.975101
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.88706881
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K2YNb5O15Se
_chemical_formula_sum "K2 Y1 Nb5 O15 Se1"
_cell_length_a 9.35185659
_cell_length_b 9.351856590000002
_cell_length_c 3.975101
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.88706881
_space_group_name_... |
InsertBetweenAtomsAction | 34ef9561-84da-4cff-a113-39a0ba258937 | mp-1029063 | Insert a Na atom in the line between atoms at indices 4 and 6, and the inserted atom must be 7.73 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4
_chemical_formula_sum "Te2 Mo2 W2 Se2 S4"
_cell_length_a 3.30870784
_cell_length_b 3.3087078400000003
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_n... | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4Na
_chemical_formula_sum "Te2 Mo2 W2 Se2 S4 Na1"
_cell_length_a 3.30870784
_cell_length_b 3.3087078400000003
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_g... |
InsertBetweenAtomsAction | d7288b48-1cbe-4274-b978-04245c22c666 | mp-22850 | Insert a Ni atom in the line between atoms at indices 0 and 9, and the inserted atom must be 1.27 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ru4Cl12
_chemical_formula_sum "Ru4 Cl12"
_cell_length_a 5.67615011
_cell_length_b 6.23663128
_cell_length_c 10.767188719999998
_cell_angle_alpha 89.99988935
_cell_angle_beta 89.99997873999999
_cell_angle_gamma 90.16930695
_space_gr... | data_image0
_chemical_formula_structural Ru4Cl12Ni
_chemical_formula_sum "Ru4 Cl12 Ni1"
_cell_length_a 5.67615011
_cell_length_b 6.23663128
_cell_length_c 10.767188719999998
_cell_angle_alpha 89.99988935
_cell_angle_beta 89.99997873999999
_cell_angle_gamma 90.16930695
_sp... |
InsertBetweenAtomsAction | 522c4526-35e6-4935-be1d-7fbaad1d8110 | mp-674343 | Insert a La atom in the line between atoms at indices 20 and 31, and the inserted atom must be 9.85 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Ti10Cu7S20
_chemical_formula_sum "Ti10 Cu7 S20"
_cell_length_a 6.66552105
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_angle_gamma 29.905861... | data_image0
_chemical_formula_structural Ti10Cu7S20La
_chemical_formula_sum "Ti10 Cu7 S20 La1"
_cell_length_a 6.66552105
_cell_length_b 6.66552105
_cell_length_c 29.648604719999998
_cell_angle_alpha 81.87447903999998
_cell_angle_beta 81.87447903999998
_cell_angle_gamma 29.... |
InsertBetweenAtomsAction | 5e72d764-93c0-4be5-9b57-cd032f599a28 | mp-1112428 | Insert a Po atom in the line between atoms at indices 2 and 4, and the inserted atom must be 1.00 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... | data_image0
_chemical_formula_structural K2EuAuCl6Po
_chemical_formula_sum "K2 Eu1 Au1 Cl6 Po1"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.9999978... |
InsertBetweenAtomsAction | df7bc3c4-c0a1-4aa2-b80c-7fc95dc770d9 | mp-752482 | Insert a Re atom in the line between atoms at indices 23 and 16, and the inserted atom must be 1.46 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li2V6F20
_chemical_formula_sum "Li2 V6 F20"
_cell_length_a 6.564161
_cell_length_b 7.45816
_cell_length_c 7.88365
_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 Li2V6F20Re
_chemical_formula_sum "Li2 V6 F20 Re1"
_cell_length_a 6.564161
_cell_length_b 7.45816
_cell_length_c 7.88365
_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 | 584d0417-2fcf-48f0-9f11-05f140faaec3 | mp-1227253 | Insert a Nh atom in the line between atoms at indices 8 and 7, and the inserted atom must be 0.56 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU3Ti8O24Nh
_chemical_formula_sum "Ca1 U3 Ti8 O24 Nh1"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_gro... |
InsertBetweenAtomsAction | a9c95aa7-2359-4830-b8be-86087cfa595f | mp-1523147 | Insert a Cm atom in the line between atoms at indices 3 and 2, and the inserted atom must be 2.41 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural SrNdMgWO6
_chemical_formula_sum "Sr1 Nd1 Mg1 W1 O6"
_cell_length_a 5.64963695
_cell_length_b 5.64963695
_cell_length_c 5.64963695
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural SrNdMgWO6Cm
_chemical_formula_sum "Sr1 Nd1 Mg1 W1 O6 Cm1"
_cell_length_a 5.64963695
_cell_length_b 5.64963695
_cell_length_c 5.64963695
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... |
InsertBetweenAtomsAction | fc191656-d1ab-4bf7-b0bd-680b57d67df9 | mp-755164 | Insert a Tc atom in the line between atoms at indices 16 and 5, and the inserted atom must be 0.32 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Mn6O11F
_chemical_formula_sum "Mn6 O11 F1"
_cell_length_a 4.51288657
_cell_length_b 4.51288657
_cell_length_c 8.974585
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.80731326
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn6O11FTc
_chemical_formula_sum "Mn6 O11 F1 Tc1"
_cell_length_a 4.51288657
_cell_length_b 4.51288657
_cell_length_c 8.974585
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.80731326
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 67d598f0-8755-46f0-8692-9e9f7b05fafb | mp-754147 | Insert a Rh atom in the line between atoms at indices 18 and 3, and the inserted atom must be 1.76 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Li4Ti2Co4O10
_chemical_formula_sum "Li4 Ti2 Co4 O10"
_cell_length_a 5.234374
_cell_length_b 5.25686923
_cell_length_c 7.757459950000001
_cell_angle_alpha 82.4242968
_cell_angle_beta 70.53341686
_cell_angle_gamma 67.69116933
_space_... | data_image0
_chemical_formula_structural Li4Ti2Co4O10Rh
_chemical_formula_sum "Li4 Ti2 Co4 O10 Rh1"
_cell_length_a 5.234374
_cell_length_b 5.25686923
_cell_length_c 7.757459950000001
_cell_angle_alpha 82.4242968
_cell_angle_beta 70.53341686
_cell_angle_gamma 67.69116933
_... |
InsertBetweenAtomsAction | d72ddc08-8041-4f76-be96-cd8007206f55 | mp-1324601 | Insert a Ni atom in the line between atoms at indices 19 and 74, and the inserted atom must be 3.07 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Zn12Si12Ag8O48
_chemical_formula_sum "Zn12 Si12 Ag8 O48"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_... | data_image0
_chemical_formula_structural Zn12Si12Ag8O48Ni
_chemical_formula_sum "Zn12 Si12 Ag8 O48 Ni1"
_cell_length_a 10.43844495
_cell_length_b 10.43844495
_cell_length_c 10.43844495
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122... |
InsertBetweenAtomsAction | fe2cb2a3-c97b-432a-b935-b83b09330cc6 | mp-1174913 | Insert a Mo atom in the line between atoms at indices 15 and 23, and the inserted atom must be 1.18 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 3.002881
_cell_length_b 5.00158641
_cell_length_c 14.49906578
_cell_angle_alpha 87.66424674
_cell_angle_beta 87.62843672
_cell_angle_gamma 86.936342
_space_group_n... | data_image0
_chemical_formula_structural Li7Mn2Co3O12Mo
_chemical_formula_sum "Li7 Mn2 Co3 O12 Mo1"
_cell_length_a 3.002881
_cell_length_b 5.00158641
_cell_length_c 14.49906578
_cell_angle_alpha 87.66424674
_cell_angle_beta 87.62843672
_cell_angle_gamma 86.936342
_space_g... |
InsertBetweenAtomsAction | a29e8314-42e7-4d7c-bc16-767c21f4eda0 | mp-18753 | Insert a Ds atom in the line between atoms at indices 4 and 8, and the inserted atom must be 1.94 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Na3MoO3F3
_chemical_formula_sum "Na3 Mo1 O3 F3"
_cell_length_a 5.80614613
_cell_length_b 5.80614595
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.2925149
_spac... | data_image0
_chemical_formula_structural Na3MoO3F3Ds
_chemical_formula_sum "Na3 Mo1 O3 F3 Ds1"
_cell_length_a 5.80614613
_cell_length_b 5.80614595
_cell_length_c 5.80614606
_cell_angle_alpha 57.29251827000001
_cell_angle_beta 57.29251842000001
_cell_angle_gamma 57.2925149
... |
InsertBetweenAtomsAction | 36180711-9b81-4db1-aadf-24f14deced8a | mp-2217709 | Insert a Mt atom in the line between atoms at indices 8 and 4, and the inserted atom must be 3.27 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural MgTiZnBi2O6
_chemical_formula_sum "Mg1 Ti1 Zn1 Bi2 O6"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgTiZnBi2O6Mt
_chemical_formula_sum "Mg1 Ti1 Zn1 Bi2 O6 Mt1"
_cell_length_a 5.58067916
_cell_length_b 5.58067916
_cell_length_c 6.72851355
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 109.16416929
_space_group_nam... |
InsertBetweenAtomsAction | 5a0a754e-cc59-47e4-899f-affb4aa64c16 | mp-1233110 | Insert a Po atom in the line between atoms at indices 16 and 20, and the inserted atom must be 1.10 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural MgMn9CdO10
_chemical_formula_sum "Mg1 Mn9 Cd1 O10"
_cell_length_a 5.80873043
_cell_length_b 8.968757620000002
_cell_length_c 5.983389520000001
_cell_angle_alpha 70.53888601
_cell_angle_beta 112.17279914
_cell_angle_gamma 97.07694034... | data_image0
_chemical_formula_structural MgMn9CdO10Po
_chemical_formula_sum "Mg1 Mn9 Cd1 O10 Po1"
_cell_length_a 5.80873043
_cell_length_b 8.968757620000002
_cell_length_c 5.983389520000001
_cell_angle_alpha 70.53888601
_cell_angle_beta 112.17279914
_cell_angle_gamma 97.07... |
InsertBetweenAtomsAction | 85076454-f7ed-4919-923d-251075336581 | mp-757037 | Insert a Pm atom in the line between atoms at indices 23 and 16, and the inserted atom must be 1.50 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li2Fe2Si6O16
_chemical_formula_sum "Li2 Fe2 Si6 O16"
_cell_length_a 7.69853798
_cell_length_b 7.6999349
_cell_length_c 7.11054289
_cell_angle_alpha 83.24422392999999
_cell_angle_beta 109.30920088
_cell_angle_gamma 62.324731889999995... | data_image0
_chemical_formula_structural Li2Fe2Si6O16Pm
_chemical_formula_sum "Li2 Fe2 Si6 O16 Pm1"
_cell_length_a 7.69853798
_cell_length_b 7.6999349
_cell_length_c 7.11054289
_cell_angle_alpha 83.24422392999999
_cell_angle_beta 109.30920088
_cell_angle_gamma 62.324731889... |
InsertBetweenAtomsAction | 6396651a-cbc3-447c-8e14-ca1f0a8924c9 | mp-768442 | Insert a Rf atom in the line between atoms at indices 19 and 17, and the inserted atom must be 4.73 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4B8O20
_chemical_formula_sum "Li4 Mn4 B8 O20"
_cell_length_a 9.305121
_cell_length_b 6.053043
_cell_length_c 6.89281067
_cell_angle_alpha 75.55919999000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li4Mn4B8O20Rf
_chemical_formula_sum "Li4 Mn4 B8 O20 Rf1"
_cell_length_a 9.305121
_cell_length_b 6.053043
_cell_length_c 6.89281067
_cell_angle_alpha 75.55919999000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | da286c39-6116-4108-b52f-39ec7049216b | mp-1310084 | Insert a Gd atom in the line between atoms at indices 10 and 3, and the inserted atom must be 0.50 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Co4O2F6
_chemical_formula_sum "Co4 O2 F6"
_cell_length_a 4.71264131
_cell_length_b 4.71287246
_cell_length_c 6.20358889
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22177824999999
_space_gro... | data_image0
_chemical_formula_structural Co4O2F6Gd
_chemical_formula_sum "Co4 O2 F6 Gd1"
_cell_length_a 4.71264131
_cell_length_b 4.71287246
_cell_length_c 6.20358889
_cell_angle_alpha 90.83207726
_cell_angle_beta 90.83016418000001
_cell_angle_gamma 93.22177824999999
_spa... |
InsertBetweenAtomsAction | 1fb329a5-5626-4241-9ecf-5c85cbe3eeab | mp-1208575 | Insert a Mn atom in the line between atoms at indices 24 and 5, and the inserted atom must be 5.61 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Tb2Cl6O24
_chemical_formula_sum "Tb2 Cl6 O24"
_cell_length_a 9.40842427
_cell_length_b 9.40841325
_cell_length_c 5.5784382
_cell_angle_alpha 89.99994258999999
_cell_angle_beta 90.00005791
_cell_angle_gamma 120.00012651000002
_space... | data_image0
_chemical_formula_structural Tb2Cl6O24Mn
_chemical_formula_sum "Tb2 Cl6 O24 Mn1"
_cell_length_a 9.40842427
_cell_length_b 9.40841325
_cell_length_c 5.5784382
_cell_angle_alpha 89.99994258999999
_cell_angle_beta 90.00005791
_cell_angle_gamma 120.00012651000002
... |
InsertBetweenAtomsAction | 660b1b49-1e1a-4e8c-ba78-df1bfdaebc06 | mp-554501 | Insert a Pt atom in the line between atoms at indices 37 and 42, and the inserted atom must be 5.94 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural Ba10Os6Cl2O30
_chemical_formula_sum "Ba10 Os6 Cl2 O30"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ba10Os6Cl2O30Pt
_chemical_formula_sum "Ba10 Os6 Cl2 O30 Pt1"
_cell_length_a 11.11547635
_cell_length_b 11.11547635
_cell_length_c 7.974835
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000211
_space_group_nam... |
InsertBetweenAtomsAction | 2a7b3299-483c-45d5-b9a0-1031275772f8 | mp-647450 | Insert a Mo atom in the line between atoms at indices 18 and 7, and the inserted atom must be 1.60 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Na4Ca8Ti4Si8O32F4
_chemical_formula_sum "Na4 Ca8 Ti4 Si8 O32 F4"
_cell_length_a 5.804294
_cell_length_b 7.60714591
_cell_length_c 19.27502629
_cell_angle_alpha 101.30828057000001
_cell_angle_beta 90.28643214
_cell_angle_gamma 89.971... | data_image0
_chemical_formula_structural Na4Ca8Ti4Si8O32F4Mo
_chemical_formula_sum "Na4 Ca8 Ti4 Si8 O32 F4 Mo1"
_cell_length_a 5.804294
_cell_length_b 7.60714591
_cell_length_c 19.27502629
_cell_angle_alpha 101.30828057000001
_cell_angle_beta 90.28643214
_cell_angle_gamma ... |
InsertBetweenAtomsAction | aa659c97-3a51-4a1c-8ed1-469b76ab2e02 | mp-1078304 | Insert a Ni atom in the line between atoms at indices 8 and 9, and the inserted atom must be 2.96 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ca4Al2Pd4
_chemical_formula_sum "Ca4 Al2 Pd4"
_cell_length_a 5.7552724
_cell_length_b 5.7552724
_cell_length_c 7.739874039999999
_cell_angle_alpha 79.29396929
_cell_angle_beta 79.29396929
_cell_angle_gamma 60.17454648000001
_space_... | data_image0
_chemical_formula_structural Ca4Al2Pd4Ni
_chemical_formula_sum "Ca4 Al2 Pd4 Ni1"
_cell_length_a 5.7552724
_cell_length_b 5.7552724
_cell_length_c 7.739874039999999
_cell_angle_alpha 79.29396929
_cell_angle_beta 79.29396929
_cell_angle_gamma 60.17454648000001
_... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.