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 | 75c3008d-3193-425a-94de-9e103d8021da | mp-39540 | Insert a Lu atom in the line between atoms at indices 22 and 19, and the inserted atom must be 2.95 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural CrSiH12O6F6
_chemical_formula_sum "Cr1 Si1 H12 O6 F6"
_cell_length_a 6.41852226
_cell_length_b 6.41852226
_cell_length_c 6.41852247
_cell_angle_alpha 96.91522922
_cell_angle_beta 96.91522922
_cell_angle_gamma 96.91521851
_space_gro... | data_image0
_chemical_formula_structural CrSiH12O6F6Lu
_chemical_formula_sum "Cr1 Si1 H12 O6 F6 Lu1"
_cell_length_a 6.41852226
_cell_length_b 6.41852226
_cell_length_c 6.41852247
_cell_angle_alpha 96.91522922
_cell_angle_beta 96.91522922
_cell_angle_gamma 96.91521851
_spa... |
InsertBetweenAtomsAction | b4cae3e8-0bd8-4b1d-8e78-85654833308d | mp-1095574 | Insert a Np atom in the line between atoms at indices 5 and 0, and the inserted atom must be 3.05 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ce4Ga4Ag4
_chemical_formula_sum "Ce4 Ga4 Ag4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_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 Ce4Ga4Ag4Np
_chemical_formula_sum "Ce4 Ga4 Ag4 Np1"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_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 | 91b9ee1f-3bc3-4b80-bcda-bb7378be24b3 | mp-1021280 | Insert a At atom in the line between atoms at indices 11 and 13, and the inserted atom must be 2.47 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li2Mg12Bi2
_chemical_formula_sum "Li2 Mg12 Bi2"
_cell_length_a 5.117583
_cell_length_b 6.489678
_cell_length_c 11.17583
_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 Li2Mg12Bi2At
_chemical_formula_sum "Li2 Mg12 Bi2 At1"
_cell_length_a 5.117583
_cell_length_b 6.489678
_cell_length_c 11.17583
_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 | cfd36c7e-21a8-4086-bacf-0c4e96444f41 | mp-26267 | Insert a Bk atom in the line between atoms at indices 46 and 58, and the inserted atom must be 2.46 angstrom from atom at 46 in the cif file. | data_image0
_chemical_formula_structural Li8Cu4P16O48
_chemical_formula_sum "Li8 Cu4 P16 O48"
_cell_length_a 9.431263
_cell_length_b 9.434133
_cell_length_c 10.133788
_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 Li8Cu4P16O48Bk
_chemical_formula_sum "Li8 Cu4 P16 O48 Bk1"
_cell_length_a 9.431263
_cell_length_b 9.434133
_cell_length_c 10.133788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 9733564a-56db-4251-9c20-c8d1e2a9de50 | mp-1224477 | Insert a Zn atom in the line between atoms at indices 19 and 7, and the inserted atom must be 1.54 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural H11IN2O6
_chemical_formula_sum "H11 I1 N2 O6"
_cell_length_a 5.540447
_cell_length_b 5.54602506
_cell_length_c 5.55388201
_cell_angle_alpha 77.76500148
_cell_angle_beta 77.61327356
_cell_angle_gamma 77.87890795
_space_group_name_H-... | data_image0
_chemical_formula_structural H11IN2O6Zn
_chemical_formula_sum "H11 I1 N2 O6 Zn1"
_cell_length_a 5.540447
_cell_length_b 5.54602506
_cell_length_c 5.55388201
_cell_angle_alpha 77.76500148
_cell_angle_beta 77.61327356
_cell_angle_gamma 77.87890795
_space_group_n... |
InsertBetweenAtomsAction | a5c6dc9a-a2a3-4435-bee6-dc8ce81b1ebe | mp-1176707 | Insert a Sg atom in the line between atoms at indices 15 and 21, and the inserted atom must be 2.01 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li6Fe6F18
_chemical_formula_sum "Li6 Fe6 F18"
_cell_length_a 7.021042
_cell_length_b 7.236590739999999
_cell_length_c 7.87495474
_cell_angle_alpha 94.44735984
_cell_angle_beta 102.93816258
_cell_angle_gamma 90.0939888
_space_group_... | data_image0
_chemical_formula_structural Li6Fe6F18Sg
_chemical_formula_sum "Li6 Fe6 F18 Sg1"
_cell_length_a 7.021042
_cell_length_b 7.236590739999999
_cell_length_c 7.87495474
_cell_angle_alpha 94.44735984
_cell_angle_beta 102.93816258
_cell_angle_gamma 90.0939888
_space_... |
InsertBetweenAtomsAction | 2f441417-01b5-4784-864a-051e819cd2f5 | mp-29249 | Insert a Md atom in the line between atoms at indices 22 and 1, and the inserted atom must be 1.15 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Ge8As8Se8
_chemical_formula_sum "Ge8 As8 Se8"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_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 Ge8As8Se8Md
_chemical_formula_sum "Ge8 As8 Se8 Md1"
_cell_length_a 5.08906544
_cell_length_b 10.25269405
_cell_length_c 12.41580532
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 206f757a-d7c0-4f34-bd95-d3ec54482cda | mp-1191092 | Insert a Tb atom in the line between atoms at indices 8 and 15, and the inserted atom must be 5.16 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ba4Na2Cu6S10
_chemical_formula_sum "Ba4 Na2 Cu6 S10"
_cell_length_a 8.79624323
_cell_length_b 8.79624323
_cell_length_c 10.46906188
_cell_angle_alpha 81.91378841
_cell_angle_beta 81.91378841
_cell_angle_gamma 36.848718770000005
_sp... | data_image0
_chemical_formula_structural Ba4Na2Cu6S10Tb
_chemical_formula_sum "Ba4 Na2 Cu6 S10 Tb1"
_cell_length_a 8.79624323
_cell_length_b 8.79624323
_cell_length_c 10.46906188
_cell_angle_alpha 81.91378841
_cell_angle_beta 81.91378841
_cell_angle_gamma 36.84871877000000... |
InsertBetweenAtomsAction | 56a1257d-164c-44e3-824e-20a7e37a93ce | mp-2240134 | Insert a Cs atom in the line between atoms at indices 0 and 7, and the inserted atom must be 4.58 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ba2NdMgNbO6
_chemical_formula_sum "Ba2 Nd1 Mg1 Nb1 O6"
_cell_length_a 6.12345268
_cell_length_b 6.41740526
_cell_length_c 6.38935047
_cell_angle_alpha 59.65450238999999
_cell_angle_beta 61.36734736999999
_cell_angle_gamma 61.5040091... | data_image0
_chemical_formula_structural Ba2NdMgNbO6Cs
_chemical_formula_sum "Ba2 Nd1 Mg1 Nb1 O6 Cs1"
_cell_length_a 6.12345268
_cell_length_b 6.41740526
_cell_length_c 6.38935047
_cell_angle_alpha 59.65450238999999
_cell_angle_beta 61.36734736999999
_cell_angle_gamma 61.5... |
InsertBetweenAtomsAction | d00a543a-bae8-466a-9bf7-ce8401a70d78 | mp-28535 | Insert a Lv atom in the line between atoms at indices 7 and 17, and the inserted atom must be 6.24 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ca4Se6O16
_chemical_formula_sum "Ca4 Se6 O16"
_cell_length_a 5.52447697
_cell_length_b 8.23968812
_cell_length_c 8.72755108
_cell_angle_alpha 92.60643704000002
_cell_angle_beta 95.99909062
_cell_angle_gamma 97.21121254
_space_group... | data_image0
_chemical_formula_structural Ca4Se6O16Lv
_chemical_formula_sum "Ca4 Se6 O16 Lv1"
_cell_length_a 5.52447697
_cell_length_b 8.23968812
_cell_length_c 8.72755108
_cell_angle_alpha 92.60643704000002
_cell_angle_beta 95.99909062
_cell_angle_gamma 97.21121254
_space... |
InsertBetweenAtomsAction | 9f70b2d0-602a-4fd5-a335-9819e09c9400 | mp-755518 | Insert a Mo atom in the line between atoms at indices 17 and 14, and the inserted atom must be 2.53 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Fe6O7F5
_chemical_formula_sum "Fe6 O7 F5"
_cell_length_a 5.650103
_cell_length_b 5.65500889
_cell_length_c 7.59812384
_cell_angle_alpha 69.71683941
_cell_angle_beta 69.82269299
_cell_angle_gamma 70.14977806
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Fe6O7F5Mo
_chemical_formula_sum "Fe6 O7 F5 Mo1"
_cell_length_a 5.650103
_cell_length_b 5.65500889
_cell_length_c 7.59812384
_cell_angle_alpha 69.71683941
_cell_angle_beta 69.82269299
_cell_angle_gamma 70.14977806
_space_group_name_... |
InsertBetweenAtomsAction | 60a4735e-8593-4a36-8d22-7d97864b1d3d | mp-558545 | Insert a Pr atom in the line between atoms at indices 31 and 8, and the inserted atom must be 2.38 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural C8S4N12Cl12
_chemical_formula_sum "C8 S4 N12 Cl12"
_cell_length_a 7.765921
_cell_length_b 8.326056
_cell_length_c 12.57591833
_cell_angle_alpha 84.22908205
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural C8S4N12Cl12Pr
_chemical_formula_sum "C8 S4 N12 Cl12 Pr1"
_cell_length_a 7.765921
_cell_length_b 8.326056
_cell_length_c 12.57591833
_cell_angle_alpha 84.22908205
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | f5a5beca-051f-4e5f-b1eb-aabc486bd176 | mp-1035350 | Insert a Pm atom in the line between atoms at indices 22 and 3, and the inserted atom must be 1.47 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Mg14CuSnO16
_chemical_formula_sum "Mg14 Cu1 Sn1 O16"
_cell_length_a 8.72234034
_cell_length_b 8.63741416
_cell_length_c 4.30772331
_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 Mg14CuSnO16Pm
_chemical_formula_sum "Mg14 Cu1 Sn1 O16 Pm1"
_cell_length_a 8.72234034
_cell_length_b 8.63741416
_cell_length_c 4.30772331
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | ce6ff943-02eb-4085-9b76-8586f092b7a0 | mp-1212483 | Insert a Ca atom in the line between atoms at indices 5 and 17, and the inserted atom must be 2.52 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N4O28Ca
_chemical_formula_sum "Hg16 P4 H4 N4 O28 Ca1"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | 009608d9-1d84-409f-bcac-539d0e799284 | mp-1095479 | Insert a Th atom in the line between atoms at indices 1 and 6, and the inserted atom must be 1.01 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Gd4S8
_chemical_formula_sum "Gd4 S8"
_cell_length_a 3.95110384
_cell_length_b 7.91220526
_cell_length_c 7.95801151
_cell_angle_alpha 89.83513708
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Gd4S8Th
_chemical_formula_sum "Gd4 S8 Th1"
_cell_length_a 3.95110384
_cell_length_b 7.91220526
_cell_length_c 7.95801151
_cell_angle_alpha 89.83513708
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | b1022a75-011e-42f9-96a6-40d37eb5892f | mp-556179 | Insert a Tb atom in the line between atoms at indices 14 and 7, and the inserted atom must be 2.64 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Pr6Si4S16Cl2
_chemical_formula_sum "Pr6 Si4 S16 Cl2"
_cell_length_a 8.8060558
_cell_length_b 8.8060558
_cell_length_c 11.051096659999999
_cell_angle_alpha 83.11777061
_cell_angle_beta 83.11777061
_cell_angle_gamma 52.13035657
_spac... | data_image0
_chemical_formula_structural Pr6Si4S16Cl2Tb
_chemical_formula_sum "Pr6 Si4 S16 Cl2 Tb1"
_cell_length_a 8.8060558
_cell_length_b 8.8060558
_cell_length_c 11.051096659999999
_cell_angle_alpha 83.11777061
_cell_angle_beta 83.11777061
_cell_angle_gamma 52.13035657
... |
InsertBetweenAtomsAction | f47e2709-d334-4e8a-85a2-eefdac4f1fc2 | mp-3276 | Insert a Hg atom in the line between atoms at indices 14 and 17, and the inserted atom must be 1.70 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Nb8Cr4Si10
_chemical_formula_sum "Nb8 Cr4 Si10"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 9.38583208
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.54496795
_space_g... | data_image0
_chemical_formula_structural Nb8Cr4Si10Hg
_chemical_formula_sum "Nb8 Cr4 Si10 Hg1"
_cell_length_a 9.38583208
_cell_length_b 9.38583208
_cell_length_c 9.38583208
_cell_angle_alpha 149.36626784000003
_cell_angle_beta 130.27220938
_cell_angle_gamma 59.54496795
_s... |
InsertBetweenAtomsAction | ac8d5aac-f458-4e5b-baaf-33ce3fa1f588 | mp-1194957 | Insert a Po atom in the line between atoms at indices 41 and 55, and the inserted atom must be 7.64 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural Hg4Te8Xe6O8F52
_chemical_formula_sum "Hg4 Te8 Xe6 O8 F52"
_cell_length_a 18.60583
_cell_length_b 9.419066
_cell_length_c 10.24656959
_cell_angle_alpha 57.63678503
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg4Te8Xe6O8F52Po
_chemical_formula_sum "Hg4 Te8 Xe6 O8 F52 Po1"
_cell_length_a 18.60583
_cell_length_b 9.419066
_cell_length_c 10.24656959
_cell_angle_alpha 57.63678503
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | 900c39ef-f37e-4c95-854f-1fa9c4b9c44c | mp-818536 | Insert a Cs atom in the line between atoms at indices 14 and 12, and the inserted atom must be 1.78 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Ce2Cr4O20
_chemical_formula_sum "Ce2 Cr4 O20"
_cell_length_a 10.921874
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ce2Cr4O20Cs
_chemical_formula_sum "Ce2 Cr4 O20 Cs1"
_cell_length_a 10.921874
_cell_length_b 5.937511
_cell_length_c 6.68150127
_cell_angle_alpha 89.38870777
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 14232edb-1221-49dd-aab2-25ef547237c5 | mp-1020592 | Insert a Rb atom in the line between atoms at indices 3 and 34, and the inserted atom must be 0.55 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Sr8Li4Si8N16O2
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_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 Sr8Li4Si8N16O2Rb
_chemical_formula_sum "Sr8 Li4 Si8 N16 O2 Rb1"
_cell_length_a 9.374073
_cell_length_b 9.374073
_cell_length_c 5.608788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 82efd386-b96e-474b-ac86-daa1f9656941 | mp-754378 | Insert a Br atom in the line between atoms at indices 8 and 3, and the inserted atom must be 3.59 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 6.08297738
_cell_length_b 5.97776458
_cell_length_c 5.977791540000001
_cell_angle_alpha 90.21968224999999
_cell_angle_beta 60.204871139999995
_cell_angle_gamma 119.79534081
_... | data_image0
_chemical_formula_structural Li2V6O8Br
_chemical_formula_sum "Li2 V6 O8 Br1"
_cell_length_a 6.08297738
_cell_length_b 5.97776458
_cell_length_c 5.977791540000001
_cell_angle_alpha 90.21968224999999
_cell_angle_beta 60.204871139999995
_cell_angle_gamma 119.79534... |
InsertBetweenAtomsAction | 0cde734d-db42-4a1e-8016-2863c7a99000 | mp-1031915 | Insert a V atom in the line between atoms at indices 9 and 5, and the inserted atom must be 1.77 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural YMg6CdO8
_chemical_formula_sum "Y1 Mg6 Cd1 O8"
_cell_length_a 9.0489033
_cell_length_b 4.51849834
_cell_length_c 4.51849834
_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 YMg6CdO8V
_chemical_formula_sum "Y1 Mg6 Cd1 O8 V1"
_cell_length_a 9.0489033
_cell_length_b 4.51849834
_cell_length_c 4.51849834
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 3e8d1aad-5e61-42f8-b0a3-c6837cb10b59 | mp-1518357 | Insert a Ar atom in the line between atoms at indices 0 and 3, and the inserted atom must be 2.67 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Eu2HfNbO6
_chemical_formula_sum "Eu2 Hf1 Nb1 O6"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_space_gro... | data_image0
_chemical_formula_structural Eu2HfNbO6Ar
_chemical_formula_sum "Eu2 Hf1 Nb1 O6 Ar1"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_spa... |
InsertBetweenAtomsAction | ec9d8e7b-e224-46c4-9b30-2dec859026bb | mp-642735 | Insert a Pa atom in the line between atoms at indices 9 and 1, and the inserted atom must be 2.47 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 Rb4H8Pt2Pa
_chemical_formula_sum "Rb4 H8 Pt2 Pa1"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 | a787e42d-a4c0-4c5c-a454-0006a2d87c01 | mp-1033791 | Insert a Na atom in the line between atoms at indices 6 and 5, and the inserted atom must be 3.98 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mg14CrCO16
_chemical_formula_sum "Mg14 Cr1 C1 O16"
_cell_length_a 8.49212571
_cell_length_b 8.49212571
_cell_length_c 4.29664522
_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 Mg14CrCO16Na
_chemical_formula_sum "Mg14 Cr1 C1 O16 Na1"
_cell_length_a 8.49212571
_cell_length_b 8.49212571
_cell_length_c 4.29664522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 8ab534cd-c2a0-47f1-8779-489e29b7542b | mp-1221478 | Insert a N atom in the line between atoms at indices 24 and 10, and the inserted atom must be 0.63 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Na4Cd4Fe2P6O24
_chemical_formula_sum "Na4 Cd4 Fe2 P6 O24"
_cell_length_a 8.97639775
_cell_length_b 8.97639775
_cell_length_c 6.70029315
_cell_angle_alpha 72.96610006
_cell_angle_beta 72.96610006
_cell_angle_gamma 92.15005666
_space... | data_image0
_chemical_formula_structural Na4Cd4Fe2P6O24N
_chemical_formula_sum "Na4 Cd4 Fe2 P6 O24 N1"
_cell_length_a 8.97639775
_cell_length_b 8.97639775
_cell_length_c 6.70029315
_cell_angle_alpha 72.96610006
_cell_angle_beta 72.96610006
_cell_angle_gamma 92.15005666
_s... |
InsertBetweenAtomsAction | 40e512f6-c4be-4f88-8436-ee7b3c87f197 | mp-1179989 | Insert a Gd atom in the line between atoms at indices 35 and 30, and the inserted atom must be 2.81 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8727395... | data_image0
_chemical_formula_structural Pd2C8S8I4N16Gd
_chemical_formula_sum "Pd2 C8 S8 I4 N16 Gd1"
_cell_length_a 8.47762463
_cell_length_b 8.47762463
_cell_length_c 11.65951481
_cell_angle_alpha 89.15109476999999
_cell_angle_beta 89.15109476999999
_cell_angle_gamma 76.8... |
InsertBetweenAtomsAction | 796a2937-6ce4-448f-9280-5eb97ef57f20 | mp-772024 | Insert a Ts atom in the line between atoms at indices 20 and 3, and the inserted atom must be 3.23 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Ba12La4Br36
_chemical_formula_sum "Ba12 La4 Br36"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba12La4Br36Ts
_chemical_formula_sum "Ba12 La4 Br36 Ts1"
_cell_length_a 7.538961
_cell_length_b 8.100884
_cell_length_c 31.53521157
_cell_angle_alpha 87.93795992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | febad5a6-fb64-442d-97bb-c8fe9f7b05f7 | mp-756284 | Insert a Nd atom in the line between atoms at indices 1 and 20, and the inserted atom must be 0.41 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... | data_image0
_chemical_formula_structural Li4Co4B4O12Nd
_chemical_formula_sum "Li4 Co4 B4 O12 Nd1"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
... |
InsertBetweenAtomsAction | 06733e56-2f4f-41b3-b058-76534fc93b91 | mp-1026876 | Insert a Lv atom in the line between atoms at indices 11 and 8, and the inserted atom must be 5.04 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Mg14CdCu
_chemical_formula_sum "Mg14 Cd1 Cu1"
_cell_length_a 6.31425202
_cell_length_b 6.33200746
_cell_length_c 10.06235057
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.09306793000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Mg14CdCuLv
_chemical_formula_sum "Mg14 Cd1 Cu1 Lv1"
_cell_length_a 6.31425202
_cell_length_b 6.33200746
_cell_length_c 10.06235057
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.09306793000002
_space_group_name_... |
InsertBetweenAtomsAction | fb3d0997-a82c-416f-8dab-6b7a85407d5a | mp-1304002 | Insert a Th atom in the line between atoms at indices 14 and 8, and the inserted atom must be 0.63 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Li8Ni6Bi2O16
_chemical_formula_sum "Li8 Ni6 Bi2 O16"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
_spac... | data_image0
_chemical_formula_structural Li8Ni6Bi2O16Th
_chemical_formula_sum "Li8 Ni6 Bi2 O16 Th1"
_cell_length_a 6.0442901
_cell_length_b 10.53646859
_cell_length_c 6.043567809999999
_cell_angle_alpha 89.93949378
_cell_angle_beta 119.6129118
_cell_angle_gamma 73.1877394
... |
InsertBetweenAtomsAction | 6a6300da-6b06-47a0-a5fb-8fde176bb50c | mp-1518832 | Insert a Sr atom in the line between atoms at indices 35 and 18, and the inserted atom must be 0.79 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Ba4Na4Pr4Nb4O24
_chemical_formula_sum "Ba4 Na4 Pr4 Nb4 O24"
_cell_length_a 8.63740882
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ba4Na4Pr4Nb4O24Sr
_chemical_formula_sum "Ba4 Na4 Pr4 Nb4 O24 Sr1"
_cell_length_a 8.63740882
_cell_length_b 8.61397828
_cell_length_c 8.61377572
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | fc46b188-7d35-421f-91a9-ab91cb731a97 | mp-1220988 | Insert a H atom in the line between atoms at indices 6 and 1, and the inserted atom must be 5.70 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Na2Tl6S4
_chemical_formula_sum "Na2 Tl6 S4"
_cell_length_a 4.293416
_cell_length_b 7.308508
_cell_length_c 12.37711
_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 Na2Tl6S4H
_chemical_formula_sum "Na2 Tl6 S4 H1"
_cell_length_a 4.293416
_cell_length_b 7.308508
_cell_length_c 12.37711
_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 | 6ef4724e-517e-4ce5-a475-38c3966e7aab | mp-1028598 | Insert a Hg atom in the line between atoms at indices 1 and 5, and the inserted atom must be 9.21 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Te6W4Se2
_chemical_formula_sum "Te6 W4 Se2"
_cell_length_a 3.49734781
_cell_length_b 3.49734781
_cell_length_c 39.674341
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999965
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Te6W4Se2Hg
_chemical_formula_sum "Te6 W4 Se2 Hg1"
_cell_length_a 3.49734781
_cell_length_b 3.49734781
_cell_length_c 39.674341
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999965
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 9554c424-0f20-41c1-84d9-403530217f15 | mp-1319322 | Insert a Ho atom in the line between atoms at indices 19 and 13, and the inserted atom must be 4.24 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Co6Te2O16
_chemical_formula_sum "Co6 Te2 O16"
_cell_length_a 5.90144483
_cell_length_b 6.06973568
_cell_length_c 10.66845073
_cell_angle_alpha 106.47630741
_cell_angle_beta 106.81744562
_cell_angle_gamma 59.1889205
_space_group_nam... | data_image0
_chemical_formula_structural Co6Te2O16Ho
_chemical_formula_sum "Co6 Te2 O16 Ho1"
_cell_length_a 5.90144483
_cell_length_b 6.06973568
_cell_length_c 10.66845073
_cell_angle_alpha 106.47630741
_cell_angle_beta 106.81744562
_cell_angle_gamma 59.1889205
_space_gro... |
InsertBetweenAtomsAction | 5094bf5e-5c7e-403b-867d-900193286885 | mp-531566 | Insert a Fl atom in the line between atoms at indices 27 and 30, and the inserted atom must be 3.38 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural La16Mn14O48
_chemical_formula_sum "La16 Mn14 O48"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
_space... | data_image0
_chemical_formula_structural La16Mn14O48Fl
_chemical_formula_sum "La16 Mn14 O48 Fl1"
_cell_length_a 7.887319
_cell_length_b 9.468976570000002
_cell_length_c 14.80010804
_cell_angle_alpha 90.67454403
_cell_angle_beta 105.17916384
_cell_angle_gamma 113.26678589
... |
InsertBetweenAtomsAction | d07e7dec-b0a7-4ae2-ad7c-969920967d9a | mp-1211316 | Insert a Ho atom in the line between atoms at indices 3 and 5, and the inserted atom must be 1.30 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural K2V4Ag2O12
_chemical_formula_sum "K2 V4 Ag2 O12"
_cell_length_a 7.44997499
_cell_length_b 7.44997499
_cell_length_c 5.90457238
_cell_angle_alpha 79.77023346
_cell_angle_beta 79.77023346
_cell_angle_gamma 85.51389708
_space_group_na... | data_image0
_chemical_formula_structural K2V4Ag2O12Ho
_chemical_formula_sum "K2 V4 Ag2 O12 Ho1"
_cell_length_a 7.44997499
_cell_length_b 7.44997499
_cell_length_c 5.90457238
_cell_angle_alpha 79.77023346
_cell_angle_beta 79.77023346
_cell_angle_gamma 85.51389708
_space_gr... |
InsertBetweenAtomsAction | b4159f08-13fa-4e96-b683-888c9cd3caaa | mp-2229628 | Insert a Si atom in the line between atoms at indices 8 and 2, and the inserted atom must be 2.48 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural MgCo4OF11
_chemical_formula_sum "Mg1 Co4 O1 F11"
_cell_length_a 7.35809105
_cell_length_b 5.22556949
_cell_length_c 5.55298967
_cell_angle_alpha 89.62041699
_cell_angle_beta 94.15737183
_cell_angle_gamma 89.9231588
_space_group_nam... | data_image0
_chemical_formula_structural MgCo4OF11Si
_chemical_formula_sum "Mg1 Co4 O1 F11 Si1"
_cell_length_a 7.35809105
_cell_length_b 5.22556949
_cell_length_c 5.55298967
_cell_angle_alpha 89.62041699
_cell_angle_beta 94.15737183
_cell_angle_gamma 89.9231588
_space_gro... |
InsertBetweenAtomsAction | fa4f2bb8-634a-4ca6-98ef-00de814ab5ec | mp-19484 | Insert a Es atom in the line between atoms at indices 39 and 43, and the inserted atom must be 1.35 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ba4Ca4V8O28Es
_chemical_formula_sum "Ba4 Ca4 V8 O28 Es1"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | c2d6ed1c-3e9c-4bcb-8942-d3ceee24bb6d | mp-1407867 | Insert a Gd atom in the line between atoms at indices 9 and 10, and the inserted atom must be 5.28 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Y2Sn4O8
_chemical_formula_sum "Y2 Sn4 O8"
_cell_length_a 6.86205727
_cell_length_b 6.862057270000001
_cell_length_c 6.862057270000001
_cell_angle_alpha 126.91866520999997
_cell_angle_beta 126.91866521
_cell_angle_gamma 78.38341797
... | data_image0
_chemical_formula_structural Y2Sn4O8Gd
_chemical_formula_sum "Y2 Sn4 O8 Gd1"
_cell_length_a 6.86205727
_cell_length_b 6.862057270000001
_cell_length_c 6.862057270000001
_cell_angle_alpha 126.91866520999997
_cell_angle_beta 126.91866521
_cell_angle_gamma 78.3834... |
InsertBetweenAtomsAction | 7f52c123-a6e0-46f8-9f29-70364ff64ae1 | mp-1193265 | Insert a Sr atom in the line between atoms at indices 22 and 14, and the inserted atom must be 0.99 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Na12Sb4Se12
_chemical_formula_sum "Na12 Sb4 Se12"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_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 Na12Sb4Se12Sr
_chemical_formula_sum "Na12 Sb4 Se12 Sr1"
_cell_length_a 8.99223911
_cell_length_b 8.99223911
_cell_length_c 8.99223911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 6c1d273d-e2a5-4edd-8789-0bd67f0429aa | mp-1046251 | Insert a Bk atom in the line between atoms at indices 7 and 1, and the inserted atom must be 2.13 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta4Zn4W2O16Bk
_chemical_formula_sum "Ta4 Zn4 W2 O16 Bk1"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_s... |
InsertBetweenAtomsAction | cc6dc470-b42f-42a4-94eb-01dfb935db34 | mp-849781 | Insert a Th atom in the line between atoms at indices 3 and 23, and the inserted atom must be 0.57 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li4Co4Si4O16
_chemical_formula_sum "Li4 Co4 Si4 O16"
_cell_length_a 5.368105
_cell_length_b 7.887216
_cell_length_c 8.49714963
_cell_angle_alpha 74.9934809
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Co4Si4O16Th
_chemical_formula_sum "Li4 Co4 Si4 O16 Th1"
_cell_length_a 5.368105
_cell_length_b 7.887216
_cell_length_c 8.49714963
_cell_angle_alpha 74.9934809
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | e30edc3d-726d-448a-a807-fc660c132aa0 | mp-867658 | Insert a Re atom in the line between atoms at indices 38 and 7, and the inserted atom must be 0.79 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural La14Mn13O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... | data_image0
_chemical_formula_structural La14Mn13O42Re
_chemical_formula_sum "La14 Mn13 O42 Re1"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2... |
InsertBetweenAtomsAction | c99129c6-960d-4050-be7b-83bb5268d3f8 | mp-1368020 | Insert a Rn atom in the line between atoms at indices 16 and 7, and the inserted atom must be 6.39 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Ca4Cu2W2O12
_chemical_formula_sum "Ca4 Cu2 W2 O12"
_cell_length_a 5.721609
_cell_length_b 5.509642
_cell_length_c 9.40067408
_cell_angle_alpha 54.37303537
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ca4Cu2W2O12Rn
_chemical_formula_sum "Ca4 Cu2 W2 O12 Rn1"
_cell_length_a 5.721609
_cell_length_b 5.509642
_cell_length_c 9.40067408
_cell_angle_alpha 54.37303537
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | e35bea31-8497-433a-95a0-7344f907585f | mp-1176929 | Insert a Pa atom in the line between atoms at indices 31 and 48, and the inserted atom must be 3.07 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Li12V6P16O58
_chemical_formula_sum "Li12 V6 P16 O58"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227000000... | data_image0
_chemical_formula_structural Li12V6P16O58Pa
_chemical_formula_sum "Li12 V6 P16 O58 Pa1"
_cell_length_a 9.79348461
_cell_length_b 9.79581916
_cell_length_c 14.06576449
_cell_angle_alpha 90.95621213000001
_cell_angle_beta 90.88902406
_cell_angle_gamma 60.31136227... |
InsertBetweenAtomsAction | 94876241-bbed-4329-8a17-30bd751e01b4 | mp-28301 | Insert a P atom in the line between atoms at indices 16 and 32, and the inserted atom must be 2.52 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Os8Br32
_chemical_formula_sum "Os8 Br32"
_cell_length_a 6.38207203
_cell_length_b 12.59781404
_cell_length_c 14.89946369
_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 Os8Br32P
_chemical_formula_sum "Os8 Br32 P1"
_cell_length_a 6.38207203
_cell_length_b 12.59781404
_cell_length_c 14.89946369
_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 | e74f710a-83d0-4ddb-96ff-b74c204ac6cf | mp-19440 | Insert a Zr atom in the line between atoms at indices 6 and 5, and the inserted atom must be 0.92 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li4V4O12
_chemical_formula_sum "Li4 V4 O12"
_cell_length_a 7.64851181
_cell_length_b 7.6485118100000005
_cell_length_c 5.79759828
_cell_angle_alpha 68.56626188
_cell_angle_beta 68.56626188
_cell_angle_gamma 83.53101445
_space_group... | data_image0
_chemical_formula_structural Li4V4O12Zr
_chemical_formula_sum "Li4 V4 O12 Zr1"
_cell_length_a 7.64851181
_cell_length_b 7.6485118100000005
_cell_length_c 5.79759828
_cell_angle_alpha 68.56626188
_cell_angle_beta 68.56626188
_cell_angle_gamma 83.53101445
_space... |
InsertBetweenAtomsAction | 8650380f-116a-444d-8f8e-9a591f43f74e | mp-30925 | Insert a Mo atom in the line between atoms at indices 2 and 9, and the inserted atom must be 2.13 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural LaN3O6
_chemical_formula_sum "La1 N3 O6"
_cell_length_a 6.23070719
_cell_length_b 6.23070719
_cell_length_c 6.23070647
_cell_angle_alpha 114.82629154999998
_cell_angle_beta 114.82629154999998
_cell_angle_gamma 114.82628240000001
_s... | data_image0
_chemical_formula_structural LaN3O6Mo
_chemical_formula_sum "La1 N3 O6 Mo1"
_cell_length_a 6.23070719
_cell_length_b 6.23070719
_cell_length_c 6.23070647
_cell_angle_alpha 114.82629154999998
_cell_angle_beta 114.82629154999998
_cell_angle_gamma 114.826282400000... |
InsertBetweenAtomsAction | 8cf61c89-617f-4577-8c45-c5f9f413c2ca | mp-560603 | Insert a Mn atom in the line between atoms at indices 19 and 9, and the inserted atom must be 1.23 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Na4Mg2Si10O24
_chemical_formula_sum "Na4 Mg2 Si10 O24"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Mg2Si10O24Mn
_chemical_formula_sum "Na4 Mg2 Si10 O24 Mn1"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 205ec254-dcb2-4284-bc78-befe2e137235 | mp-767219 | Insert a In atom in the line between atoms at indices 43 and 56, and the inserted atom must be 2.11 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural Li8Ti8Mn2Co8O36
_chemical_formula_sum "Li8 Ti8 Mn2 Co8 O36"
_cell_length_a 2.88784
_cell_length_b 9.009081
_cell_length_c 24.670932
_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 Li8Ti8Mn2Co8O36In
_chemical_formula_sum "Li8 Ti8 Mn2 Co8 O36 In1"
_cell_length_a 2.88784
_cell_length_b 9.009081
_cell_length_c 24.670932
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | af24dad6-0e3c-41c4-8a6d-b9a7de335136 | mp-1112589 | Insert a La atom in the line between atoms at indices 6 and 9, and the inserted atom must be 2.45 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Cs2HgPdF6
_chemical_formula_sum "Cs2 Hg1 Pd1 F6"
_cell_length_a 6.45417937
_cell_length_b 6.454179370000001
_cell_length_c 6.454179369999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Cs2HgPdF6La
_chemical_formula_sum "Cs2 Hg1 Pd1 F6 La1"
_cell_length_a 6.45417937
_cell_length_b 6.454179370000001
_cell_length_c 6.454179369999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gam... |
InsertBetweenAtomsAction | 61b2a5b0-95df-4e99-8613-7c376d0a5ac7 | mp-1204890 | Insert a Db atom in the line between atoms at indices 33 and 46, and the inserted atom must be 3.77 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Zr4N8O36
_chemical_formula_sum "Zr4 N8 O36"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space_group... | data_image0
_chemical_formula_structural Zr4N8O36Db
_chemical_formula_sum "Zr4 N8 O36 Db1"
_cell_length_a 8.21936925
_cell_length_b 9.38387715
_cell_length_c 10.37714086
_cell_angle_alpha 98.65103149
_cell_angle_beta 103.14163553
_cell_angle_gamma 85.06322259999999
_space... |
InsertBetweenAtomsAction | e2fb25f4-cc63-4ecb-b738-0d6267f0c6f6 | mp-1111032 | Insert a Na atom in the line between atoms at indices 7 and 9, and the inserted atom must be 3.22 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Rb2HgIrF6
_chemical_formula_sum "Rb2 Hg1 Ir1 F6"
_cell_length_a 6.86860193
_cell_length_b 6.8686019300000005
_cell_length_c 6.86860193
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... | data_image0
_chemical_formula_structural Rb2HgIrF6Na
_chemical_formula_sum "Rb2 Hg1 Ir1 F6 Na1"
_cell_length_a 6.86860193
_cell_length_b 6.8686019300000005
_cell_length_c 6.86860193
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... |
InsertBetweenAtomsAction | 24be9a03-30ee-41e5-8e66-1290ba34def5 | mp-1028424 | Insert a Fr atom in the line between atoms at indices 8 and 2, and the inserted atom must be 2.02 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural CsMg14Co
_chemical_formula_sum "Cs1 Mg14 Co1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural CsMg14CoFr
_chemical_formula_sum "Cs1 Mg14 Co1 Fr1"
_cell_length_a 6.55760238
_cell_length_b 6.33488309
_cell_length_c 10.66318141
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.88271971
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 4c6ecd83-3514-4df5-9329-629707cdcbb0 | mp-2218964 | Insert a Ra atom in the line between atoms at indices 9 and 10, and the inserted atom must be 1.15 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural MgMn3TeO8
_chemical_formula_sum "Mg1 Mn3 Te1 O8"
_cell_length_a 6.20133901
_cell_length_b 6.36047727
_cell_length_c 6.2012102
_cell_angle_alpha 59.88171875999999
_cell_angle_beta 58.58960310999999
_cell_angle_gamma 59.88253086999999... | data_image0
_chemical_formula_structural MgMn3TeO8Ra
_chemical_formula_sum "Mg1 Mn3 Te1 O8 Ra1"
_cell_length_a 6.20133901
_cell_length_b 6.36047727
_cell_length_c 6.2012102
_cell_angle_alpha 59.88171875999999
_cell_angle_beta 58.58960310999999
_cell_angle_gamma 59.88253086... |
InsertBetweenAtomsAction | 2c82c892-cf3e-4591-8626-c88871d8303f | mp-1173973 | Insert a Nb atom in the line between atoms at indices 9 and 13, and the inserted atom must be 0.30 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li5Mn2CoO8
_chemical_formula_sum "Li5 Mn2 Co1 O8"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431964
_... | data_image0
_chemical_formula_structural Li5Mn2CoO8Nb
_chemical_formula_sum "Li5 Mn2 Co1 O8 Nb1"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431... |
InsertBetweenAtomsAction | 26555d08-e839-4e8f-8014-c457bc5f15d2 | mp-850998 | Insert a Mt atom in the line between atoms at indices 0 and 14, and the inserted atom must be 8.07 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li4Mn6B6O18
_chemical_formula_sum "Li4 Mn6 B6 O18"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.55685340999999
_... | data_image0
_chemical_formula_structural Li4Mn6B6O18Mt
_chemical_formula_sum "Li4 Mn6 B6 O18 Mt1"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.55685340999... |
InsertBetweenAtomsAction | 9d76f21f-3ed8-453a-a00f-ecd1c365ec2a | mp-1204232 | Insert a P atom in the line between atoms at indices 25 and 8, and the inserted atom must be 4.71 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Na9U3Si4O20F2
_chemical_formula_sum "Na9 U3 Si4 O20 F2"
_cell_length_a 5.946702
_cell_length_b 7.4835360500000006
_cell_length_c 12.04553321
_cell_angle_alpha 89.95161405
_cell_angle_beta 84.72313458999999
_cell_angle_gamma 89.99330... | data_image0
_chemical_formula_structural Na9U3Si4O20F2P
_chemical_formula_sum "Na9 U3 Si4 O20 F2 P1"
_cell_length_a 5.946702
_cell_length_b 7.4835360500000006
_cell_length_c 12.04553321
_cell_angle_alpha 89.95161405
_cell_angle_beta 84.72313458999999
_cell_angle_gamma 89.9... |
InsertBetweenAtomsAction | cd9997a6-adc3-4d85-a22d-f9e83f044693 | mp-1196102 | Insert a Cn atom in the line between atoms at indices 5 and 24, and the inserted atom must be 9.66 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Fe2Ge6H8Pb2O20
_chemical_formula_sum "Fe2 Ge6 H8 Pb2 O20"
_cell_length_a 5.48014973
_cell_length_b 6.0174908
_cell_length_c 13.750376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.16266634000002
_space_group_na... | data_image0
_chemical_formula_structural Fe2Ge6H8Pb2O20Cn
_chemical_formula_sum "Fe2 Ge6 H8 Pb2 O20 Cn1"
_cell_length_a 5.48014973
_cell_length_b 6.0174908
_cell_length_c 13.750376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 112.16266634000002
_space_gr... |
InsertBetweenAtomsAction | c2d71ce2-3201-4d80-a9de-b40ec236a876 | mp-29075 | Insert a Cm atom in the line between atoms at indices 10 and 33, and the inserted atom must be 4.33 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... | data_image0
_chemical_formula_structural Ga6Bi10Cl24Cm
_chemical_formula_sum "Ga6 Bi10 Cl24 Cm1"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
... |
InsertBetweenAtomsAction | 71713781-931f-4ebc-8f6e-3f314cd02e4c | mp-30437 | Insert a Am atom in the line between atoms at indices 8 and 6, and the inserted atom must be 2.47 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ca4Sn4Pd4
_chemical_formula_sum "Ca4 Sn4 Pd4"
_cell_length_a 4.63728853
_cell_length_b 7.35881275
_cell_length_c 7.98914883
_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 Ca4Sn4Pd4Am
_chemical_formula_sum "Ca4 Sn4 Pd4 Am1"
_cell_length_a 4.63728853
_cell_length_b 7.35881275
_cell_length_c 7.98914883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 14d48acc-2229-4ccd-ad22-e4bbbd45900c | mp-1214585 | Insert a Md atom in the line between atoms at indices 10 and 3, and the inserted atom must be 1.79 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 Ba2PrCu3O6Md
_chemical_formula_sum "Ba2 Pr1 Cu3 O6 Md1"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | ce666012-6d51-4657-aef3-cd1780abcee0 | mp-1026451 | Insert a Sn atom in the line between atoms at indices 1 and 7, and the inserted atom must be 2.82 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mg14BW
_chemical_formula_sum "Mg14 B1 W1"
_cell_length_a 6.1799333
_cell_length_b 6.179932829999999
_cell_length_c 9.7499251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000250999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Mg14BWSn
_chemical_formula_sum "Mg14 B1 W1 Sn1"
_cell_length_a 6.1799333
_cell_length_b 6.179932829999999
_cell_length_c 9.7499251
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000250999999
_space_group_name_... |
InsertBetweenAtomsAction | 1b4eaf81-9f4d-41b8-9714-5024d9ed04fe | mp-1522401 | Insert a Cf atom in the line between atoms at indices 4 and 2, and the inserted atom must be 3.51 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Sr2GdWO6
_chemical_formula_sum "Sr2 Gd1 W1 O6"
_cell_length_a 5.98526548
_cell_length_b 5.98526548
_cell_length_c 5.98526548
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Sr2GdWO6Cf
_chemical_formula_sum "Sr2 Gd1 W1 O6 Cf1"
_cell_length_a 5.98526548
_cell_length_b 5.98526548
_cell_length_c 5.98526548
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... |
InsertBetweenAtomsAction | 03713d47-e2a5-478c-8713-25dfdd668dca | mp-554835 | Insert a Li atom in the line between atoms at indices 39 and 38, and the inserted atom must be 2.22 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural K4Zr4V4F28
_chemical_formula_sum "K4 Zr4 V4 F28"
_cell_length_a 6.615048
_cell_length_b 8.076241
_cell_length_c 11.349502
_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 K4Zr4V4F28Li
_chemical_formula_sum "K4 Zr4 V4 F28 Li1"
_cell_length_a 6.615048
_cell_length_b 8.076241
_cell_length_c 11.349502
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | b197e1d6-a234-4626-b342-7d2a42d214f3 | mp-1220551 | Insert a Og atom in the line between atoms at indices 22 and 9, and the inserted atom must be 9.80 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Nb4AgBi5O18
_chemical_formula_sum "Nb4 Ag1 Bi5 O18"
_cell_length_a 12.9369977
_cell_length_b 12.9369977
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle_gamma 155.1355268
_space_group... | data_image0
_chemical_formula_structural Nb4AgBi5O18Og
_chemical_formula_sum "Nb4 Ag1 Bi5 O18 Og1"
_cell_length_a 12.9369977
_cell_length_b 12.9369977
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle_gamma 155.1355268
_space... |
InsertBetweenAtomsAction | b475cd63-1b4b-4102-b988-8505de2d5251 | mp-11465 | Insert a Tm atom in the line between atoms at indices 12 and 4, and the inserted atom must be 0.98 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Mg10Hg6
_chemical_formula_sum "Mg10 Hg6"
_cell_length_a 8.22667506
_cell_length_b 8.22667412
_cell_length_c 5.86925634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000375999998
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg10Hg6Tm
_chemical_formula_sum "Mg10 Hg6 Tm1"
_cell_length_a 8.22667506
_cell_length_b 8.22667412
_cell_length_c 5.86925634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000375999998
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | a8b26745-030c-4e62-b0a2-723f202f00d0 | mp-1246013 | Insert a Hg atom in the line between atoms at indices 9 and 0, and the inserted atom must be 3.76 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural V2C3N6
_chemical_formula_sum "V2 C3 N6"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V2C3N6Hg
_chemical_formula_sum "V2 C3 N6 Hg1"
_cell_length_a 8.61995063
_cell_length_b 3.03350301
_cell_length_c 4.9658161
_cell_angle_alpha 90.00000913
_cell_angle_beta 79.947041
_cell_angle_gamma 79.86557683
_space_group_name_H-M... |
InsertBetweenAtomsAction | 2f4b8ca9-6238-4c2a-af7f-69f64b6ca34e | mp-560635 | Insert a Ta atom in the line between atoms at indices 25 and 9, and the inserted atom must be 4.81 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Cs8Mo4S16
_chemical_formula_sum "Cs8 Mo4 S16"
_cell_length_a 7.30251068
_cell_length_b 10.19212873
_cell_length_c 12.9339905
_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 Cs8Mo4S16Ta
_chemical_formula_sum "Cs8 Mo4 S16 Ta1"
_cell_length_a 7.30251068
_cell_length_b 10.19212873
_cell_length_c 12.9339905
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 5f255621-8bd2-49f7-8f86-0d900e1b3e75 | mp-697850 | Insert a Ar atom in the line between atoms at indices 21 and 36, and the inserted atom must be 1.21 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Li8Cr4P16O48
_chemical_formula_sum "Li8 Cr4 P16 O48"
_cell_length_a 10.159209
_cell_length_b 9.40003
_cell_length_c 9.47136605
_cell_angle_alpha 88.12112881
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Cr4P16O48Ar
_chemical_formula_sum "Li8 Cr4 P16 O48 Ar1"
_cell_length_a 10.159209
_cell_length_b 9.40003
_cell_length_c 9.47136605
_cell_angle_alpha 88.12112881
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 62c2b24e-b9dc-44ca-8cd8-7c16a5b8e8d4 | mp-756311 | Insert a Lr atom in the line between atoms at indices 0 and 22, and the inserted atom must be 4.07 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li4Fe4Sn4O16
_chemical_formula_sum "Li4 Fe4 Sn4 O16"
_cell_length_a 6.06921841
_cell_length_b 6.316308
_cell_length_c 8.747379999999998
_cell_angle_alpha 90.00000655
_cell_angle_beta 90.00000292
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Li4Fe4Sn4O16Lr
_chemical_formula_sum "Li4 Fe4 Sn4 O16 Lr1"
_cell_length_a 6.06921841
_cell_length_b 6.316308
_cell_length_c 8.747379999999998
_cell_angle_alpha 90.00000655
_cell_angle_beta 90.00000292
_cell_angle_gamma 90.0
_space_... |
InsertBetweenAtomsAction | 84dee1fe-a493-4a73-8853-3193176e4f5a | mp-1103771 | Insert a U atom in the line between atoms at indices 6 and 26, and the inserted atom must be 1.37 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ba2Li4Mn2V4O16
_chemical_formula_sum "Ba2 Li4 Mn2 V4 O16"
_cell_length_a 5.35145904
_cell_length_b 9.1378704
_cell_length_c 9.12853731
_cell_angle_alpha 61.04528758000001
_cell_angle_beta 72.95561526
_cell_angle_gamma 73.00019055999... | data_image0
_chemical_formula_structural Ba2Li4Mn2V4O16U
_chemical_formula_sum "Ba2 Li4 Mn2 V4 O16 U1"
_cell_length_a 5.35145904
_cell_length_b 9.1378704
_cell_length_c 9.12853731
_cell_angle_alpha 61.04528758000001
_cell_angle_beta 72.95561526
_cell_angle_gamma 73.0001905... |
InsertBetweenAtomsAction | e5a4593f-dc2d-48e5-afa3-815be2317559 | mp-753244 | Insert a Hf atom in the line between atoms at indices 7 and 3, and the inserted atom must be 2.09 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li2Mn4F18
_chemical_formula_sum "Li2 Mn4 F18"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space_group... | data_image0
_chemical_formula_structural Li2Mn4F18Hf
_chemical_formula_sum "Li2 Mn4 F18 Hf1"
_cell_length_a 5.222341
_cell_length_b 5.26049537
_cell_length_c 14.59818153
_cell_angle_alpha 92.04736841
_cell_angle_beta 93.58591976000001
_cell_angle_gamma 118.71798806
_space... |
InsertBetweenAtomsAction | 33908657-c7b8-4d43-8a26-ebd37205da86 | mp-1666930 | Insert a Ho atom in the line between atoms at indices 4 and 32, and the inserted atom must be 1.42 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li10Cr4Co6O20
_chemical_formula_sum "Li10 Cr4 Co6 O20"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma 70... | data_image0
_chemical_formula_structural Li10Cr4Co6O20Ho
_chemical_formula_sum "Li10 Cr4 Co6 O20 Ho1"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma... |
InsertBetweenAtomsAction | 9934a7d9-c96f-422c-b483-aae5b2d4ca5f | mp-1228395 | Insert a Na atom in the line between atoms at indices 34 and 37, and the inserted atom must be 2.03 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Ba6Sm3AlCu8O20
_chemical_formula_sum "Ba6 Sm3 Al1 Cu8 O20"
_cell_length_a 5.546785
_cell_length_b 8.674801310000001
_cell_length_c 12.67449835
_cell_angle_alpha 74.32509264
_cell_angle_beta 77.78694691
_cell_angle_gamma 73.28461105
... | data_image0
_chemical_formula_structural Ba6Sm3AlCu8O20Na
_chemical_formula_sum "Ba6 Sm3 Al1 Cu8 O20 Na1"
_cell_length_a 5.546785
_cell_length_b 8.674801310000001
_cell_length_c 12.67449835
_cell_angle_alpha 74.32509264
_cell_angle_beta 77.78694691
_cell_angle_gamma 73.284... |
InsertBetweenAtomsAction | 93d99587-c1bb-4d8b-854e-c8cc87b40d4e | mp-1247447 | Insert a Sc atom in the line between atoms at indices 1 and 9, and the inserted atom must be 2.70 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mg2Sc3MnS8
_chemical_formula_sum "Mg2 Sc3 Mn1 S8"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_space_... | data_image0
_chemical_formula_structural Mg2Sc3MnS8Sc
_chemical_formula_sum "Mg2 Sc4 Mn1 S8"
_cell_length_a 7.52845767
_cell_length_b 7.47838708
_cell_length_c 7.53267421
_cell_angle_alpha 59.84947479
_cell_angle_beta 59.87627726
_cell_angle_gamma 59.906511939999994
_spac... |
InsertBetweenAtomsAction | b7ba1d82-86b0-4f8b-b61b-e75107a15cb7 | mp-1176871 | Insert a Fl atom in the line between atoms at indices 70 and 78, and the inserted atom must be 2.91 angstrom from atom at 70 in the cif file. | data_image0
_chemical_formula_structural Li14V6P16O58
_chemical_formula_sum "Li14 V6 P16 O58"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.94911286999999
... | data_image0
_chemical_formula_structural Li14V6P16O58Fl
_chemical_formula_sum "Li14 V6 P16 O58 Fl1"
_cell_length_a 9.85789844
_cell_length_b 9.8522116
_cell_length_c 13.92124646
_cell_angle_alpha 89.85441915999999
_cell_angle_beta 90.14356653
_cell_angle_gamma 59.949112869... |
InsertBetweenAtomsAction | 8d69b997-1796-40dd-8cec-04a758cb4c78 | mp-572465 | Insert a Ra atom in the line between atoms at indices 17 and 38, and the inserted atom must be 1.15 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P8S24Ra
_chemical_formula_sum "Cr4 Cu4 P8 S24 Ra1"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 1c1e260a-84c8-4807-b271-fa2ba1e83acf | mp-1233509 | Insert a As atom in the line between atoms at indices 19 and 8, and the inserted atom must be 1.95 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural CaSm4Tm4O12
_chemical_formula_sum "Ca1 Sm4 Tm4 O12"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural CaSm4Tm4O12As
_chemical_formula_sum "Ca1 Sm4 Tm4 O12 As1"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | b16b2c32-8461-45be-9fc1-7504bc34d329 | mp-1209044 | Insert a Ge atom in the line between atoms at indices 17 and 12, and the inserted atom must be 1.11 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Sc20Sb12
_chemical_formula_sum "Sc20 Sb12"
_cell_length_a 7.61616863
_cell_length_b 8.76414466
_cell_length_c 11.17943473
_cell_angle_alpha 90.0
_cell_angle_beta 90.00107002
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sc20Sb12Ge
_chemical_formula_sum "Sc20 Sb12 Ge1"
_cell_length_a 7.61616863
_cell_length_b 8.76414466
_cell_length_c 11.17943473
_cell_angle_alpha 90.0
_cell_angle_beta 90.00107002
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 9939b35c-47fc-4da2-9a6a-abac1a5759bb | mp-13602 | Insert a Pr atom in the line between atoms at indices 10 and 21, and the inserted atom must be 3.02 angstrom from atom at 10 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 Cd12As8O32Pr
_chemical_formula_sum "Cd12 As8 O32 Pr1"
_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 | 68a860bd-5033-4308-8f69-2a830b3a67fc | mp-1076627 | Insert a In atom in the line between atoms at indices 35 and 0, and the inserted atom must be 4.78 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Sr8Ti4Mn4O20
_chemical_formula_sum "Sr8 Ti4 Mn4 O20"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.36900562
_space_... | data_image0
_chemical_formula_structural Sr8Ti4Mn4O20In
_chemical_formula_sum "Sr8 Ti4 Mn4 O20 In1"
_cell_length_a 5.62529
_cell_length_b 8.92492134
_cell_length_c 11.403602
_cell_angle_alpha 108.62765674999999
_cell_angle_beta 90.00036421
_cell_angle_gamma 108.36900562
_... |
InsertBetweenAtomsAction | 8c385e96-44fb-4cd5-abaa-ce5723635ab8 | mp-1173893 | Insert a H atom in the line between atoms at indices 3 and 14, and the inserted atom must be 2.92 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Co2O8
_chemical_formula_sum "Li4 Mn2 Co2 O8"
_cell_length_a 2.920526
_cell_length_b 6.60737649
_cell_length_c 7.89451648
_cell_angle_alpha 88.82980695
_cell_angle_beta 100.65433203
_cell_angle_gamma 77.23435797
_space_group_n... | data_image0
_chemical_formula_structural Li4Mn2Co2O8H
_chemical_formula_sum "Li4 Mn2 Co2 O8 H1"
_cell_length_a 2.920526
_cell_length_b 6.60737649
_cell_length_c 7.89451648
_cell_angle_alpha 88.82980695
_cell_angle_beta 100.65433203
_cell_angle_gamma 77.23435797
_space_gro... |
InsertBetweenAtomsAction | f7d8b186-45d9-434e-91ab-22b819995f6d | mp-559163 | Insert a Ge atom in the line between atoms at indices 8 and 28, and the inserted atom must be 5.93 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural K4Fe4As8O28
_chemical_formula_sum "K4 Fe4 As8 O28"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_space_gro... | data_image0
_chemical_formula_structural K4Fe4As8O28Ge
_chemical_formula_sum "K4 Fe4 As8 O28 Ge1"
_cell_length_a 7.830323
_cell_length_b 8.58273068
_cell_length_c 10.30904999
_cell_angle_alpha 89.8074159
_cell_angle_beta 89.60140706000001
_cell_angle_gamma 73.3606819
_spa... |
InsertBetweenAtomsAction | 23c5fc13-b677-4d5a-9289-94a3040555d1 | mp-1233561 | Insert a Fe atom in the line between atoms at indices 4 and 34, and the inserted atom must be 2.30 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural MgCo4P8O28
_chemical_formula_sum "Mg1 Co4 P8 O28"
_cell_length_a 6.83834011
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gamma 90.368... | data_image0
_chemical_formula_structural MgCo4P8O28Fe
_chemical_formula_sum "Mg1 Co4 P8 O28 Fe1"
_cell_length_a 6.83834011
_cell_length_b 8.077485120000002
_cell_length_c 9.438236380000001
_cell_angle_alpha 90.09435495999999
_cell_angle_beta 108.90149321
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 0337d569-ec13-4e5a-a875-51fe87b46bdc | mp-27309 | Insert a Nh atom in the line between atoms at indices 23 and 3, and the inserted atom must be 3.56 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural V8F40
_chemical_formula_sum "V8 F40"
_cell_length_a 5.39836063
_cell_length_b 7.402808
_cell_length_c 16.08718786
_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 V8F40Nh
_chemical_formula_sum "V8 F40 Nh1"
_cell_length_a 5.39836063
_cell_length_b 7.402808
_cell_length_c 16.08718786
_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 | bc0f1dad-0da1-4cf5-b83b-251e384d989e | mp-690556 | Insert a Ts atom in the line between atoms at indices 3 and 8, and the inserted atom must be 0.52 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ca2La2Mn2Ru2O12
_chemical_formula_sum "Ca2 La2 Mn2 Ru2 O12"
_cell_length_a 5.716248
_cell_length_b 5.559046
_cell_length_c 9.66349457
_cell_angle_alpha 55.05739802000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural Ca2La2Mn2Ru2O12Ts
_chemical_formula_sum "Ca2 La2 Mn2 Ru2 O12 Ts1"
_cell_length_a 5.716248
_cell_length_b 5.559046
_cell_length_c 9.66349457
_cell_angle_alpha 55.05739802000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
InsertBetweenAtomsAction | a824b226-b3fd-471f-afd9-ed13ce5a2dae | mp-1029550 | Insert a Th atom in the line between atoms at indices 6 and 0, and the inserted atom must be 4.44 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ca8Cr4N12
_chemical_formula_sum "Ca8 Cr4 N12"
_cell_length_a 5.88679425
_cell_length_b 5.88679425
_cell_length_c 11.61366427
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 124.75774528
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca8Cr4N12Th
_chemical_formula_sum "Ca8 Cr4 N12 Th1"
_cell_length_a 5.88679425
_cell_length_b 5.88679425
_cell_length_c 11.61366427
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 124.75774528
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | bd06e3d4-9531-4665-915d-b4645314d091 | mp-1040209 | Insert a Fr atom in the line between atoms at indices 18 and 30, and the inserted atom must be 3.17 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural KMg30GaO32
_chemical_formula_sum "K1 Mg30 Ga1 O32"
_cell_length_a 8.606815
_cell_length_b 8.606815
_cell_length_c 8.552012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural KMg30GaO32Fr
_chemical_formula_sum "K1 Mg30 Ga1 O32 Fr1"
_cell_length_a 8.606815
_cell_length_b 8.606815
_cell_length_c 8.552012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 240b3566-4855-4aa6-973b-9ce0253a7784 | mp-1228355 | Insert a Nb atom in the line between atoms at indices 10 and 33, and the inserted atom must be 1.65 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ba8Sn2Ge4S16Br4
_chemical_formula_sum "Ba8 Sn2 Ge4 S16 Br4"
_cell_length_a 9.107169
_cell_length_b 9.29278
_cell_length_c 12.108653
_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 Ba8Sn2Ge4S16Br4Nb
_chemical_formula_sum "Ba8 Sn2 Ge4 S16 Br4 Nb1"
_cell_length_a 9.107169
_cell_length_b 9.29278
_cell_length_c 12.108653
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | e132ecd1-28ae-4de7-9a6e-866bbdcbc909 | mp-850934 | Insert a Cs atom in the line between atoms at indices 7 and 8, and the inserted atom must be 2.76 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Fe6O11F
_chemical_formula_sum "Fe6 O11 F1"
_cell_length_a 4.633818
_cell_length_b 5.50847985
_cell_length_c 7.55472791
_cell_angle_alpha 84.91090458999999
_cell_angle_beta 89.07644466999999
_cell_angle_gamma 88.78384201
_space_grou... | data_image0
_chemical_formula_structural Fe6O11FCs
_chemical_formula_sum "Fe6 O11 F1 Cs1"
_cell_length_a 4.633818
_cell_length_b 5.50847985
_cell_length_c 7.55472791
_cell_angle_alpha 84.91090458999999
_cell_angle_beta 89.07644466999999
_cell_angle_gamma 88.78384201
_spac... |
InsertBetweenAtomsAction | e0f3d7f9-2022-44bf-9d38-57e297a1d54a | mp-26228 | Insert a Ru atom in the line between atoms at indices 20 and 2, and the inserted atom must be 2.11 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural V4P8O28
_chemical_formula_sum "V4 P8 O28"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.38309639
_s... | data_image0
_chemical_formula_structural V4P8O28Ru
_chemical_formula_sum "V4 P8 O28 Ru1"
_cell_length_a 6.29171824
_cell_length_b 6.29171824
_cell_length_c 13.381423060000001
_cell_angle_alpha 74.37262827999999
_cell_angle_beta 74.37262827999999
_cell_angle_gamma 79.383096... |
InsertBetweenAtomsAction | 2db21266-2801-49be-8971-b3fa803535a1 | mp-568136 | Insert a Db atom in the line between atoms at indices 19 and 12, and the inserted atom must be 2.32 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural Rb6V6Br18Db
_chemical_formula_sum "Rb6 V6 Br18 Db1"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950... |
InsertBetweenAtomsAction | 8d0bb73a-a0ea-4791-a9da-5e345c8cefb9 | mp-1193101 | Insert a Ds atom in the line between atoms at indices 23 and 11, and the inserted atom must be 3.40 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Sr6Mn6O18
_chemical_formula_sum "Sr6 Mn6 O18"
_cell_length_a 5.42140775
_cell_length_b 5.42140784
_cell_length_c 13.37753335
_cell_angle_alpha 89.99999897
_cell_angle_beta 90.0000015
_cell_angle_gamma 119.99995005
_space_group_name... | data_image0
_chemical_formula_structural Sr6Mn6O18Ds
_chemical_formula_sum "Sr6 Mn6 O18 Ds1"
_cell_length_a 5.42140775
_cell_length_b 5.42140784
_cell_length_c 13.37753335
_cell_angle_alpha 89.99999897
_cell_angle_beta 90.0000015
_cell_angle_gamma 119.99995005
_space_grou... |
InsertBetweenAtomsAction | 1c14242c-555c-4538-ba6d-ebce654c3385 | mp-755554 | Insert a Bi atom in the line between atoms at indices 10 and 11, and the inserted atom must be 1.02 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 4.58985747
_cell_length_b 5.536503
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li2Fe2F8Bi
_chemical_formula_sum "Li2 Fe2 F8 Bi1"
_cell_length_a 4.58985747
_cell_length_b 5.536503
_cell_length_c 4.94910913
_cell_angle_alpha 90.0
_cell_angle_beta 90.89908099999998
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 9957f623-ed53-413a-bf09-453148dc0500 | mp-754851 | Insert a Mc atom in the line between atoms at indices 7 and 20, and the inserted atom must be 5.61 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li8Co4Sn4O16
_chemical_formula_sum "Li8 Co4 Sn4 O16"
_cell_length_a 5.96131296
_cell_length_b 8.06893522
_cell_length_c 8.06876536
_cell_angle_alpha 111.35697518
_cell_angle_beta 68.32025619
_cell_angle_gamma 111.68295944000002
_sp... | data_image0
_chemical_formula_structural Li8Co4Sn4O16Mc
_chemical_formula_sum "Li8 Co4 Sn4 O16 Mc1"
_cell_length_a 5.96131296
_cell_length_b 8.06893522
_cell_length_c 8.06876536
_cell_angle_alpha 111.35697518
_cell_angle_beta 68.32025619
_cell_angle_gamma 111.6829594400000... |
InsertBetweenAtomsAction | d73b9f8e-ce3c-43a8-8b98-2f6bb15723ce | mp-558289 | Insert a Y atom in the line between atoms at indices 43 and 47, and the inserted atom must be 7.15 angstrom from atom at 43 in the cif file. | data_image0
_chemical_formula_structural U4Ag8Se8O32
_chemical_formula_sum "U4 Ag8 Se8 O32"
_cell_length_a 6.633157
_cell_length_b 5.998611
_cell_length_c 21.68985918
_cell_angle_alpha 80.49377908
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural U4Ag8Se8O32Y
_chemical_formula_sum "U4 Ag8 Se8 O32 Y1"
_cell_length_a 6.633157
_cell_length_b 5.998611
_cell_length_c 21.68985918
_cell_angle_alpha 80.49377908
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | b69f9743-5831-4e4c-b46b-6ed77948261a | mp-705637 | Insert a Zn atom in the line between atoms at indices 42 and 24, and the inserted atom must be 2.92 angstrom from atom at 42 in the cif file. | data_image0
_chemical_formula_structural Ni16P16O64
_chemical_formula_sum "Ni16 P16 O64"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_space_group_... | data_image0
_chemical_formula_structural Ni16P16O64Zn
_chemical_formula_sum "Ni16 P16 O64 Zn1"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_space_... |
InsertBetweenAtomsAction | 0f2fd7c2-6b75-40da-9e3e-244b49fd3899 | mp-1191086 | Insert a Sr atom in the line between atoms at indices 16 and 11, and the inserted atom must be 0.72 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7Sr
_chemical_formula_sum "Nd2 Mn3 Cu9 P7 Sr1"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_na... |
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