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 | a77a8802-b922-4c1f-b42d-c430acce5ba3 | mp-1026435 | Insert a Sr atom in the line between atoms at indices 10 and 7, and the inserted atom must be 4.13 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Mg14TiMo
_chemical_formula_sum "Mg14 Ti1 Mo1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg14TiMoSr
_chemical_formula_sum "Mg14 Ti1 Mo1 Sr1"
_cell_length_a 6.29406518
_cell_length_b 6.29406468
_cell_length_c 9.97224972
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000263999999
_space_group_name_H... |
InsertBetweenAtomsAction | b76bb0a8-0bdc-4c5e-98b4-9a91ba59556a | mp-1221912 | Insert a Sr atom in the line between atoms at indices 9 and 11, and the inserted atom must be 2.06 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Mn2CrGa3S8
_chemical_formula_sum "Mn2 Cr1 Ga3 S8"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005
_s... | data_image0
_chemical_formula_structural Mn2CrGa3S8Sr
_chemical_formula_sum "Mn2 Cr1 Ga3 S8 Sr1"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.8660445500000... |
InsertBetweenAtomsAction | ad4dacf4-29d1-4a40-a922-66d9407e3dc4 | mp-1229052 | Insert a Lr atom in the line between atoms at indices 19 and 23, and the inserted atom must be 2.52 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Al41V4
_chemical_formula_sum "Al41 V4"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_space_gr... | data_image0
_chemical_formula_structural Al41V4Lr
_chemical_formula_sum "Al41 V4 Lr1"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_sp... |
InsertBetweenAtomsAction | b960ea33-37f3-4c55-b7bb-c64a2bdea5a3 | mp-1207687 | Insert a Se atom in the line between atoms at indices 18 and 8, and the inserted atom must be 6.03 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Zr8In12
_chemical_formula_sum "Zr8 In12"
_cell_length_a 6.867919
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Zr8In12Se
_chemical_formula_sum "Zr8 In12 Se1"
_cell_length_a 6.867919
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | 51769bd2-83df-47bb-9d72-1e3f22a45c3a | mp-1198393 | Insert a Be atom in the line between atoms at indices 34 and 4, and the inserted atom must be 3.78 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural La4I12O38
_chemical_formula_sum "La4 I12 O38"
_cell_length_a 11.25767
_cell_length_b 7.444486
_cell_length_c 12.97375816
_cell_angle_alpha 57.35239296000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La4I12O38Be
_chemical_formula_sum "La4 I12 O38 Be1"
_cell_length_a 11.25767
_cell_length_b 7.444486
_cell_length_c 12.97375816
_cell_angle_alpha 57.35239296000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 71ff85da-8416-4c06-b342-20a88795cb77 | mp-1104062 | Insert a Ga atom in the line between atoms at indices 1 and 4, and the inserted atom must be 2.23 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Sr2Ga4Se8
_chemical_formula_sum "Sr2 Ga4 Se8"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Sr2Ga4Se8Ga
_chemical_formula_sum "Sr2 Ga5 Se8"
_cell_length_a 6.32401618
_cell_length_b 6.32401618
_cell_length_c 11.02815678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.35425012999998
_space_group_name_H-M_... |
InsertBetweenAtomsAction | c84d6893-7f25-4fe8-8e0e-e35245a2002b | mp-1105449 | Insert a Md atom in the line between atoms at indices 7 and 5, and the inserted atom must be 1.94 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Sm2Tl2P4Se12
_chemical_formula_sum "Sm2 Tl2 P4 Se12"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm2Tl2P4Se12Md
_chemical_formula_sum "Sm2 Tl2 P4 Se12 Md1"
_cell_length_a 7.755927
_cell_length_b 6.911998
_cell_length_c 10.35507989
_cell_angle_alpha 88.99944141999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | a841027f-060a-4a95-ba24-59bf2506845f | mp-1246014 | Insert a Hg atom in the line between atoms at indices 1 and 4, and the inserted atom must be 3.24 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mg6In4N8
_chemical_formula_sum "Mg6 In4 N8"
_cell_length_a 6.5109743
_cell_length_b 8.86459398
_cell_length_c 5.63378613
_cell_angle_alpha 90.00000371
_cell_angle_beta 91.85940546
_cell_angle_gamma 132.90168955000001
_space_group_n... | data_image0
_chemical_formula_structural Mg6In4N8Hg
_chemical_formula_sum "Mg6 In4 N8 Hg1"
_cell_length_a 6.5109743
_cell_length_b 8.86459398
_cell_length_c 5.63378613
_cell_angle_alpha 90.00000371
_cell_angle_beta 91.85940546
_cell_angle_gamma 132.90168955000001
_space_g... |
InsertBetweenAtomsAction | dc29d451-ba8e-4ba9-858b-3b30353b2757 | mp-1190081 | Insert a Fl atom in the line between atoms at indices 11 and 6, and the inserted atom must be 3.99 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ce4SiRh12
_chemical_formula_sum "Ce4 Si1 Rh12"
_cell_length_a 7.14632626
_cell_length_b 7.14632626
_cell_length_c 7.1463262599999995
_cell_angle_alpha 109.47133709
_cell_angle_beta 109.47133709
_cell_angle_gamma 109.47133709
_space... | data_image0
_chemical_formula_structural Ce4SiRh12Fl
_chemical_formula_sum "Ce4 Si1 Rh12 Fl1"
_cell_length_a 7.14632626
_cell_length_b 7.14632626
_cell_length_c 7.1463262599999995
_cell_angle_alpha 109.47133709
_cell_angle_beta 109.47133709
_cell_angle_gamma 109.47133709
... |
InsertBetweenAtomsAction | 0f3bd1bb-9d2f-43da-998f-f1a3f2ffc9de | mp-800259 | Insert a Pb atom in the line between atoms at indices 7 and 6, and the inserted atom must be 3.17 angstrom from atom at 7 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 Li5Cr3FeO8Pb
_chemical_formula_sum "Li5 Cr3 Fe1 O8 Pb1"
_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 | e65d989a-05ea-4238-b545-0880176fb641 | mp-1176748 | Insert a Pa atom in the line between atoms at indices 3 and 9, and the inserted atom must be 2.34 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural LiCu3Si2O6
_chemical_formula_sum "Li1 Cu3 Si2 O6"
_cell_length_a 4.8388987
_cell_length_b 4.8388987
_cell_length_c 5.90468181
_cell_angle_alpha 82.15013831999998
_cell_angle_beta 82.15013831999998
_cell_angle_gamma 119.94564055
_sp... | data_image0
_chemical_formula_structural LiCu3Si2O6Pa
_chemical_formula_sum "Li1 Cu3 Si2 O6 Pa1"
_cell_length_a 4.8388987
_cell_length_b 4.8388987
_cell_length_c 5.90468181
_cell_angle_alpha 82.15013831999998
_cell_angle_beta 82.15013831999998
_cell_angle_gamma 119.9456405... |
InsertBetweenAtomsAction | 09c8faf0-84bc-4b69-91d8-b49afcdf992a | mp-1203991 | Insert a Sr atom in the line between atoms at indices 11 and 0, and the inserted atom must be 4.40 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural K2PdS8O26
_chemical_formula_sum "K2 Pd1 S8 O26"
_cell_length_a 7.585394
_cell_length_b 8.946963800000002
_cell_length_c 9.30551478
_cell_angle_alpha 106.89890428999999
_cell_angle_beta 89.10166062999998
_cell_angle_gamma 107.9369395... | data_image0
_chemical_formula_structural K2PdS8O26Sr
_chemical_formula_sum "K2 Pd1 S8 O26 Sr1"
_cell_length_a 7.585394
_cell_length_b 8.946963800000002
_cell_length_c 9.30551478
_cell_angle_alpha 106.89890428999999
_cell_angle_beta 89.10166062999998
_cell_angle_gamma 107.9... |
InsertBetweenAtomsAction | 03c9e573-f29f-421f-912c-22a9e6def009 | mp-1204031 | Insert a Rb atom in the line between atoms at indices 11 and 0, and the inserted atom must be 5.19 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Zn6Se6O20
_chemical_formula_sum "Zn6 Se6 O20"
_cell_length_a 8.200582
_cell_length_b 8.33735723
_cell_length_c 8.80680441
_cell_angle_alpha 64.46594991999999
_cell_angle_beta 68.49848698
_cell_angle_gamma 68.82866477
_space_group_n... | data_image0
_chemical_formula_structural Zn6Se6O20Rb
_chemical_formula_sum "Zn6 Se6 O20 Rb1"
_cell_length_a 8.200582
_cell_length_b 8.33735723
_cell_length_c 8.80680441
_cell_angle_alpha 64.46594991999999
_cell_angle_beta 68.49848698
_cell_angle_gamma 68.82866477
_space_g... |
InsertBetweenAtomsAction | 8698da8c-92a9-4331-a7d0-5f9584356e92 | mp-35143 | Insert a Hf atom in the line between atoms at indices 6 and 1, and the inserted atom must be 0.60 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S6Hf
_chemical_formula_sum "Ba2 Nb2 S6 Hf1"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M... |
InsertBetweenAtomsAction | c9b4a868-9dd5-4be4-9ac5-0814142d3740 | mp-1047596 | Insert a Md atom in the line between atoms at indices 15 and 26, and the inserted atom must be 2.65 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Zn4Bi8O16
_chemical_formula_sum "Zn4 Bi8 O16"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_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 Zn4Bi8O16Md
_chemical_formula_sum "Zn4 Bi8 O16 Md1"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_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 | a71feaa0-806d-419c-82cf-31f157073c4c | mp-1522623 | Insert a Au atom in the line between atoms at indices 1 and 5, and the inserted atom must be 1.36 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural BaCaNi4O12
_chemical_formula_sum "Ba1 Ca1 Ni4 O12"
_cell_length_a 5.53109635
_cell_length_b 5.53109635
_cell_length_c 7.7504093
_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 BaCaNi4O12Au
_chemical_formula_sum "Ba1 Ca1 Ni4 O12 Au1"
_cell_length_a 5.53109635
_cell_length_b 5.53109635
_cell_length_c 7.7504093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 9ad08e3d-2807-4604-b3be-5041776a8ef5 | mp-557667 | Insert a Mg atom in the line between atoms at indices 38 and 42, and the inserted atom must be 5.10 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Ge9Pb15O33
_chemical_formula_sum "Ge9 Pb15 O33"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 10.863788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_group_na... | data_image0
_chemical_formula_structural Ge9Pb15O33Mg
_chemical_formula_sum "Ge9 Pb15 O33 Mg1"
_cell_length_a 10.41003186
_cell_length_b 10.410031859999998
_cell_length_c 10.863788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999909000002
_space_gr... |
InsertBetweenAtomsAction | 7d0ad306-581e-4a07-9d67-1a15d827c2ed | mp-1032803 | Insert a Cl atom in the line between atoms at indices 10 and 12, and the inserted atom must be 0.75 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Mg6MnZnO8
_chemical_formula_sum "Mg6 Mn1 Zn1 O8"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_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 Mg6MnZnO8Cl
_chemical_formula_sum "Mg6 Mn1 Zn1 O8 Cl1"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | a22ffd17-9eac-4a3d-a9b6-9af08f056253 | mp-1211316 | Insert a Lu atom in the line between atoms at indices 13 and 12, and the inserted atom must be 1.58 angstrom from atom at 13 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 K2V4Ag2O12Lu
_chemical_formula_sum "K2 V4 Ag2 O12 Lu1"
_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 | 868141bb-c11a-4baf-8402-71cba5d59044 | mp-1247150 | Insert a Ru atom in the line between atoms at indices 41 and 46, and the inserted atom must be 3.92 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural Li4Mn24N28
_chemical_formula_sum "Li4 Mn24 N28"
_cell_length_a 13.00233388
_cell_length_b 5.65481
_cell_length_c 7.95383811
_cell_angle_alpha 90.0
_cell_angle_beta 82.02367282
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Mn24N28Ru
_chemical_formula_sum "Li4 Mn24 N28 Ru1"
_cell_length_a 13.00233388
_cell_length_b 5.65481
_cell_length_c 7.95383811
_cell_angle_alpha 90.0
_cell_angle_beta 82.02367282
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 1f5f7a39-1666-487c-bb38-d53192b15e50 | mp-1103827 | Insert a Nd atom in the line between atoms at indices 10 and 9, and the inserted atom must be 1.41 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Cu2N4F8
_chemical_formula_sum "Cu2 N4 F8"
_cell_length_a 6.85040463
_cell_length_b 6.85040463
_cell_length_c 5.730675
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.56855975000002
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cu2N4F8Nd
_chemical_formula_sum "Cu2 N4 F8 Nd1"
_cell_length_a 6.85040463
_cell_length_b 6.85040463
_cell_length_c 5.730675
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 130.56855975000002
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 83fdf21a-eb9c-4bd3-9e42-0288f2d4ddb4 | mp-1048365 | Insert a Te atom in the line between atoms at indices 0 and 1, and the inserted atom must be 0.70 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Y2Cu3O6
_chemical_formula_sum "Y2 Cu3 O6"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_space_gr... | data_image0
_chemical_formula_structural Y2Cu3O6Te
_chemical_formula_sum "Y2 Cu3 O6 Te1"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_sp... |
InsertBetweenAtomsAction | e7c08935-af1c-413c-b09a-20d78f44b7c7 | mp-1188402 | Insert a Md atom in the line between atoms at indices 11 and 13, and the inserted atom must be 2.27 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Cu3Mo2H2O10
_chemical_formula_sum "Cu3 Mo2 H2 O10"
_cell_length_a 5.86853367
_cell_length_b 5.736943139999999
_cell_length_c 7.85002799
_cell_angle_alpha 103.47643980999999
_cell_angle_beta 111.61979821
_cell_angle_gamma 94.00059654... | data_image0
_chemical_formula_structural Cu3Mo2H2O10Md
_chemical_formula_sum "Cu3 Mo2 H2 O10 Md1"
_cell_length_a 5.86853367
_cell_length_b 5.736943139999999
_cell_length_c 7.85002799
_cell_angle_alpha 103.47643980999999
_cell_angle_beta 111.61979821
_cell_angle_gamma 94.00... |
InsertBetweenAtomsAction | 4ba94693-3c3b-430a-9c65-717fb5fed42a | mp-1212423 | Insert a Ca atom in the line between atoms at indices 4 and 13, and the inserted atom must be 3.28 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ho12In3Fe2
_chemical_formula_sum "Ho12 In3 Fe2"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 8.42111934
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma 108.19690694
_space_group_... | data_image0
_chemical_formula_structural Ho12In3Fe2Ca
_chemical_formula_sum "Ho12 In3 Fe2 Ca1"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 8.42111934
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma 108.19690694
_space_... |
InsertBetweenAtomsAction | 2166d83b-380a-4385-a17e-763f6f86a5ee | mp-1644899 | Insert a Fm atom in the line between atoms at indices 28 and 35, and the inserted atom must be 5.66 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24Fm
_chemical_formula_sum "Li6 V4 C8 O24 Fm1"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_g... |
InsertBetweenAtomsAction | 0726274c-e8b0-4abb-9ac9-b39c9ab52757 | mp-1188929 | Insert a Fm atom in the line between atoms at indices 9 and 4, and the inserted atom must be 4.84 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ti2Nb6S12
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_... | data_image0
_chemical_formula_structural Ti2Nb6S12Fm
_chemical_formula_sum "Ti2 Nb6 S12 Fm1"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_... |
InsertBetweenAtomsAction | a3269e6f-1686-4110-88ce-97e69c747dcc | mp-752456 | Insert a Mn atom in the line between atoms at indices 8 and 9, and the inserted atom must be 1.50 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Fe4O2F6
_chemical_formula_sum "Fe4 O2 F6"
_cell_length_a 3.105808
_cell_length_b 4.851217
_cell_length_c 9.688965
_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 Fe4O2F6Mn
_chemical_formula_sum "Fe4 O2 F6 Mn1"
_cell_length_a 3.105808
_cell_length_b 4.851217
_cell_length_c 9.688965
_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 | 2ab38d78-b922-4ecf-8ea2-f013ae69937c | mp-573815 | Insert a At atom in the line between atoms at indices 5 and 3, and the inserted atom must be 0.67 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Re6I18
_chemical_formula_sum "Re6 I18"
_cell_length_a 9.08663881
_cell_length_b 9.82904721
_cell_length_c 11.38253715
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.68012977
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Re6I18At
_chemical_formula_sum "Re6 I18 At1"
_cell_length_a 9.08663881
_cell_length_b 9.82904721
_cell_length_c 11.38253715
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.68012977
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 74d4db3e-1fdf-4145-8cd6-b33a7c7d02ca | mp-568136 | Insert a F atom in the line between atoms at indices 11 and 9, and the inserted atom must be 6.00 angstrom from atom at 11 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 Rb6V6Br18F
_chemical_formula_sum "Rb6 V6 Br18 F1"
_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 119.99995016... |
InsertBetweenAtomsAction | ac0e6b52-1b8b-44f1-bcbf-172ac6775a75 | mp-1217691 | Insert a Xe atom in the line between atoms at indices 8 and 6, and the inserted atom must be 0.43 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Tb3DyAl8
_chemical_formula_sum "Tb3 Dy1 Al8"
_cell_length_a 9.61162833
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.545002190000005
_space_group... | data_image0
_chemical_formula_structural Tb3DyAl8Xe
_chemical_formula_sum "Tb3 Dy1 Al8 Xe1"
_cell_length_a 9.61162833
_cell_length_b 9.61162833
_cell_length_c 9.61162834
_cell_angle_alpha 33.54500062
_cell_angle_beta 33.54500062
_cell_angle_gamma 33.545002190000005
_space... |
InsertBetweenAtomsAction | 50086a89-ecad-4fb4-9499-fd308270fd25 | mp-1226415 | Insert a Cd atom in the line between atoms at indices 14 and 18, and the inserted atom must be 2.26 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Co4Mo4O19
_chemical_formula_sum "Co4 Mo4 O19"
_cell_length_a 6.872225
_cell_length_b 6.94423398
_cell_length_c 9.42774129
_cell_angle_alpha 76.97480465
_cell_angle_beta 81.31897182
_cell_angle_gamma 74.9666926
_space_group_name_H-M... | data_image0
_chemical_formula_structural Co4Mo4O19Cd
_chemical_formula_sum "Co4 Mo4 O19 Cd1"
_cell_length_a 6.872225
_cell_length_b 6.94423398
_cell_length_c 9.42774129
_cell_angle_alpha 76.97480465
_cell_angle_beta 81.31897182
_cell_angle_gamma 74.9666926
_space_group_na... |
InsertBetweenAtomsAction | ccb950a8-7ef8-433c-9d50-d099f201b2e0 | mp-1336298 | Insert a Pr atom in the line between atoms at indices 27 and 41, and the inserted atom must be 14.55 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Al8Hg20Se32
_chemical_formula_sum "Al8 Hg20 Se32"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_group_na... | data_image0
_chemical_formula_structural Al8Hg20Se32Pr
_chemical_formula_sum "Al8 Hg20 Se32 Pr1"
_cell_length_a 8.404517
_cell_length_b 8.44335121
_cell_length_c 27.9220542
_cell_angle_alpha 97.16799001
_cell_angle_beta 90.48170215
_cell_angle_gamma 118.44816971
_space_gr... |
InsertBetweenAtomsAction | eb11d8bc-52e7-457f-ada3-e53b8dc0ef7a | mp-759254 | Insert a Cd atom in the line between atoms at indices 58 and 56, and the inserted atom must be 2.41 angstrom from atom at 58 in the cif file. | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... | data_image0
_chemical_formula_structural Li2Bi8P14O48Cd
_chemical_formula_sum "Li2 Bi8 P14 O48 Cd1"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86... |
InsertBetweenAtomsAction | 0d553c75-721a-436b-9a55-b7cc40c5e132 | mp-1643079 | Insert a Re atom in the line between atoms at indices 15 and 19, and the inserted atom must be 0.81 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li8Mn4O8F4
_chemical_formula_sum "Li8 Mn4 O8 F4"
_cell_length_a 4.606584
_cell_length_b 5.690833
_cell_length_c 8.710385
_cell_angle_alpha 90.00049817
_cell_angle_beta 89.99997441
_cell_angle_gamma 89.99995499
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li8Mn4O8F4Re
_chemical_formula_sum "Li8 Mn4 O8 F4 Re1"
_cell_length_a 4.606584
_cell_length_b 5.690833
_cell_length_c 8.710385
_cell_angle_alpha 90.00049817
_cell_angle_beta 89.99997441
_cell_angle_gamma 89.99995499
_space_group_na... |
InsertBetweenAtomsAction | d527c808-f6bd-4b1d-9695-923603fb834f | mp-779298 | Insert a Al atom in the line between atoms at indices 13 and 22, and the inserted atom must be 1.07 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Mn8O13F3
_chemical_formula_sum "Mn8 O13 F3"
_cell_length_a 4.495611
_cell_length_b 4.97141401
_cell_length_c 11.0541015
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_cell_angle_gamma 89.41852835
_space_gro... | data_image0
_chemical_formula_structural Mn8O13F3Al
_chemical_formula_sum "Mn8 O13 F3 Al1"
_cell_length_a 4.495611
_cell_length_b 4.97141401
_cell_length_c 11.0541015
_cell_angle_alpha 89.55388368000001
_cell_angle_beta 87.76097084999999
_cell_angle_gamma 89.41852835
_spa... |
InsertBetweenAtomsAction | 4f447148-a22b-453a-a3ea-41a9e9bb5a47 | mp-1200095 | Insert a Bh atom in the line between atoms at indices 46 and 6, and the inserted atom must be 5.22 angstrom from atom at 46 in the cif file. | data_image0
_chemical_formula_structural Sr4Np4P8O32
_chemical_formula_sum "Sr4 Np4 P8 O32"
_cell_length_a 6.97722498
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr4Np4P8O32Bh
_chemical_formula_sum "Sr4 Np4 P8 O32 Bh1"
_cell_length_a 6.97722498
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_name_H-M_... |
InsertBetweenAtomsAction | ddd0fe94-1208-4333-a92e-496cfe5ad067 | mp-569862 | Insert a Bh atom in the line between atoms at indices 1 and 15, and the inserted atom must be 3.94 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Rb8P4Se18
_chemical_formula_sum "Rb8 P4 Se18"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... | data_image0
_chemical_formula_structural Rb8P4Se18Bh
_chemical_formula_sum "Rb8 P4 Se18 Bh1"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7... |
InsertBetweenAtomsAction | 3c0e821c-00b5-42ea-bb17-27135545196d | mp-1191974 | Insert a Br atom in the line between atoms at indices 20 and 9, and the inserted atom must be 4.43 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Ca2Ge2P4O16
_chemical_formula_sum "Ca2 Ge2 P4 O16"
_cell_length_a 8.37962501
_cell_length_b 8.37962501
_cell_length_c 7.84020248
_cell_angle_alpha 64.56117764
_cell_angle_beta 64.56117764
_cell_angle_gamma 35.94561599
_space_group_... | data_image0
_chemical_formula_structural Ca2Ge2P4O16Br
_chemical_formula_sum "Ca2 Ge2 P4 O16 Br1"
_cell_length_a 8.37962501
_cell_length_b 8.37962501
_cell_length_c 7.84020248
_cell_angle_alpha 64.56117764
_cell_angle_beta 64.56117764
_cell_angle_gamma 35.94561599
_space_... |
InsertBetweenAtomsAction | 4a17f243-e6f7-4f62-8d6e-08fde0728f6c | mp-1192809 | Insert a Ir atom in the line between atoms at indices 10 and 12, and the inserted atom must be 1.81 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ag4N12O12
_chemical_formula_sum "Ag4 N12 O12"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Ag4N12O12Ir
_chemical_formula_sum "Ag4 N12 O12 Ir1"
_cell_length_a 6.029281
_cell_length_b 7.930658
_cell_length_c 10.435859
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | dbe0d5f9-c727-45ec-8a9c-12a2a81bf65f | mp-779754 | Insert a U atom in the line between atoms at indices 28 and 41, and the inserted atom must be 3.19 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Na10Ni4As2C8O32
_chemical_formula_sum "Na10 Ni4 As2 C8 O32"
_cell_length_a 9.95923284
_cell_length_b 9.952258090000003
_cell_length_c 9.93538448
_cell_angle_alpha 60.10249329000001
_cell_angle_beta 60.03277886
_cell_angle_gamma 59.8... | data_image0
_chemical_formula_structural Na10Ni4As2C8O32U
_chemical_formula_sum "Na10 Ni4 As2 C8 O32 U1"
_cell_length_a 9.95923284
_cell_length_b 9.952258090000003
_cell_length_c 9.93538448
_cell_angle_alpha 60.10249329000001
_cell_angle_beta 60.03277886
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 8cbf8df5-bad4-473d-84f1-8b30a0f23eeb | mp-771953 | Insert a Fl atom in the line between atoms at indices 5 and 21, and the inserted atom must be 3.65 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4Nb2Ni6O16Fl
_chemical_formula_sum "Li4 Nb2 Ni6 O16 Fl1"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-... |
InsertBetweenAtomsAction | 49947a98-a909-4ce9-ab85-f57b7070c306 | mp-1021352 | Insert a Am atom in the line between atoms at indices 1 and 9, and the inserted atom must be 2.89 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mg12Ti2Nb2
_chemical_formula_sum "Mg12 Ti2 Nb2"
_cell_length_a 4.863481
_cell_length_b 6.094816
_cell_length_c 11.228815
_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 Mg12Ti2Nb2Am
_chemical_formula_sum "Mg12 Ti2 Nb2 Am1"
_cell_length_a 4.863481
_cell_length_b 6.094816
_cell_length_c 11.228815
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 01ed6ec8-7812-40c4-9fb3-964ab95ebdbd | mp-616196 | Insert a In atom in the line between atoms at indices 5 and 1, and the inserted atom must be 0.55 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Os2C6I4O6
_chemical_formula_sum "Os2 C6 I4 O6"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_group_name... | data_image0
_chemical_formula_structural Os2C6I4O6In
_chemical_formula_sum "Os2 C6 I4 O6 In1"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_grou... |
InsertBetweenAtomsAction | 8cb0c772-de8a-4904-95f6-45b718303bc5 | mp-757370 | Insert a Cn atom in the line between atoms at indices 3 and 38, and the inserted atom must be 1.70 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_space_group... | data_image0
_chemical_formula_structural Ti5Fe11O24Cn
_chemical_formula_sum "Ti5 Fe11 O24 Cn1"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_space... |
InsertBetweenAtomsAction | d67926c4-11cf-47db-a0a7-6629963d6264 | mp-1177530 | Insert a Rf atom in the line between atoms at indices 23 and 17, and the inserted atom must be 1.99 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437000001... | data_image0
_chemical_formula_structural Li4Mn2Ni3Sn3O16Rf
_chemical_formula_sum "Li4 Mn2 Ni3 Sn3 O16 Rf1"
_cell_length_a 6.03544694
_cell_length_b 6.03544694
_cell_length_c 9.53802986
_cell_angle_alpha 89.87409019
_cell_angle_beta 89.87409019
_cell_angle_gamma 60.49918437... |
InsertBetweenAtomsAction | a2a61671-d33c-4360-92d7-4f942a61c336 | mp-1035975 | Insert a Hf atom in the line between atoms at indices 8 and 0, and the inserted atom must be 3.58 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_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 YMg14SnO16Hf
_chemical_formula_sum "Y1 Mg14 Sn1 O16 Hf1"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | e9a4d376-b85d-4058-805a-aafee7784311 | mp-38951 | Insert a Nb atom in the line between atoms at indices 7 and 11, and the inserted atom must be 0.84 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mg2Ga4O8
_chemical_formula_sum "Mg2 Ga4 O8"
_cell_length_a 5.85014315
_cell_length_b 5.850142989999999
_cell_length_c 5.9059647
_cell_angle_alpha 59.68385123000001
_cell_angle_beta 59.68384724
_cell_angle_gamma 59.68611803999999
_s... | data_image0
_chemical_formula_structural Mg2Ga4O8Nb
_chemical_formula_sum "Mg2 Ga4 O8 Nb1"
_cell_length_a 5.85014315
_cell_length_b 5.850142989999999
_cell_length_c 5.9059647
_cell_angle_alpha 59.68385123000001
_cell_angle_beta 59.68384724
_cell_angle_gamma 59.686118039999... |
InsertBetweenAtomsAction | 7fc333e9-2af6-4fab-bbec-e2bc7451df14 | mp-2227841 | Insert a B atom in the line between atoms at indices 11 and 2, and the inserted atom must be 1.54 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Tm2MgV2O8
_chemical_formula_sum "Tm2 Mg1 V2 O8"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_space_... | data_image0
_chemical_formula_structural Tm2MgV2O8B
_chemical_formula_sum "Tm2 Mg1 V2 O8 B1"
_cell_length_a 6.01689922
_cell_length_b 6.01689898
_cell_length_c 6.16204598
_cell_angle_alpha 106.12743468
_cell_angle_beta 106.12742743000001
_cell_angle_gamma 115.30210931
_sp... |
InsertBetweenAtomsAction | 97ec2335-1f99-4b4f-aec4-504f5ff16b60 | mp-1235688 | Insert a At atom in the line between atoms at indices 11 and 8, and the inserted atom must be 2.50 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural RbLiCu2H3S2O10
_chemical_formula_sum "Rb1 Li1 Cu2 H3 S2 O10"
_cell_length_a 5.93216975
_cell_length_b 5.92723735
_cell_length_c 7.79515509
_cell_angle_alpha 74.74008437
_cell_angle_beta 82.56761922
_cell_angle_gamma 118.980709840000... | data_image0
_chemical_formula_structural RbLiCu2H3S2O10At
_chemical_formula_sum "Rb1 Li1 Cu2 H3 S2 O10 At1"
_cell_length_a 5.93216975
_cell_length_b 5.92723735
_cell_length_c 7.79515509
_cell_angle_alpha 74.74008437
_cell_angle_beta 82.56761922
_cell_angle_gamma 118.980709... |
InsertBetweenAtomsAction | e630461b-f1ed-4fda-9417-5905fbf15603 | mp-1219272 | Insert a Br atom in the line between atoms at indices 31 and 14, and the inserted atom must be 1.99 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Sm4CrFe33C4
_chemical_formula_sum "Sm4 Cr1 Fe33 C4"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space_group... | data_image0
_chemical_formula_structural Sm4CrFe33C4Br
_chemical_formula_sum "Sm4 Cr1 Fe33 C4 Br1"
_cell_length_a 6.50403639
_cell_length_b 6.48021192
_cell_length_c 13.00634797
_cell_angle_alpha 83.55663481
_cell_angle_beta 83.5493849
_cell_angle_gamma 83.68356637
_space... |
InsertBetweenAtomsAction | c8dbc679-aa4a-4da0-b100-81a397c9b45a | mp-22575 | Insert a Po atom in the line between atoms at indices 6 and 18, and the inserted atom must be 1.23 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Sc12As8
_chemical_formula_sum "Sc12 As8"
_cell_length_a 3.83119668
_cell_length_b 10.43635929
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sc12As8Po
_chemical_formula_sum "Sc12 As8 Po1"
_cell_length_a 3.83119668
_cell_length_b 10.43635929
_cell_length_c 10.33871181
_cell_angle_alpha 89.99998295
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 448482d6-96c4-4657-a154-4283a3795c41 | mp-1026581 | Insert a Be atom in the line between atoms at indices 13 and 3, and the inserted atom must be 1.73 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural BaSrMg14
_chemical_formula_sum "Ba1 Sr1 Mg14"
_cell_length_a 6.76431275
_cell_length_b 6.70564346
_cell_length_c 10.82343123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.71350604000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaSrMg14Be
_chemical_formula_sum "Ba1 Sr1 Mg14 Be1"
_cell_length_a 6.76431275
_cell_length_b 6.70564346
_cell_length_c 10.82343123
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.71350604000001
_space_group_name_... |
InsertBetweenAtomsAction | fed5ce43-221e-4d04-b338-6689f36d6e26 | mp-684816 | Insert a P atom in the line between atoms at indices 16 and 5, and the inserted atom must be 0.57 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural K4Na2Nb2O4F8
_chemical_formula_sum "K4 Na2 Nb2 O4 F8"
_cell_length_a 6.078101
_cell_length_b 6.08342755
_cell_length_c 8.639495609999999
_cell_angle_alpha 89.814529
_cell_angle_beta 89.94245549000001
_cell_angle_gamma 89.97564418
_... | data_image0
_chemical_formula_structural K4Na2Nb2O4F8P
_chemical_formula_sum "K4 Na2 Nb2 O4 F8 P1"
_cell_length_a 6.078101
_cell_length_b 6.08342755
_cell_length_c 8.639495609999999
_cell_angle_alpha 89.814529
_cell_angle_beta 89.94245549000001
_cell_angle_gamma 89.9756441... |
InsertBetweenAtomsAction | c340e816-d305-4d52-a9e4-6be4766f9651 | mp-1232221 | Insert a Pm atom in the line between atoms at indices 4 and 8, and the inserted atom must be 7.28 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Pm4Se8
_chemical_formula_sum "Pm4 Se8"
_cell_length_a 4.16700646
_cell_length_b 8.38218923
_cell_length_c 8.46326189
_cell_angle_alpha 89.80386038
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Pm4Se8Pm
_chemical_formula_sum "Pm5 Se8"
_cell_length_a 4.16700646
_cell_length_b 8.38218923
_cell_length_c 8.46326189
_cell_angle_alpha 89.80386038
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
InsertBetweenAtomsAction | 8ceb4371-de2c-4bb3-a72f-d6758e7b990f | mp-1017477 | Insert a Lv atom in the line between atoms at indices 5 and 1, and the inserted atom must be 5.48 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 La2Mg12W2Lv
_chemical_formula_sum "La2 Mg12 W2 Lv1"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 | 634096b7-45f3-4d80-b933-d5178dcbe6cf | mp-753255 | Insert a Og atom in the line between atoms at indices 5 and 9, and the inserted atom must be 2.86 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li8Fe5O10
_chemical_formula_sum "Li8 Fe5 O10"
_cell_length_a 5.439789
_cell_length_b 6.7722361
_cell_length_c 8.02902207
_cell_angle_alpha 90.43750103999999
_cell_angle_beta 102.80415826
_cell_angle_gamma 113.38418846
_space_group_... | data_image0
_chemical_formula_structural Li8Fe5O10Og
_chemical_formula_sum "Li8 Fe5 O10 Og1"
_cell_length_a 5.439789
_cell_length_b 6.7722361
_cell_length_c 8.02902207
_cell_angle_alpha 90.43750103999999
_cell_angle_beta 102.80415826
_cell_angle_gamma 113.38418846
_space_... |
InsertBetweenAtomsAction | 1942d6a6-630a-421c-8f87-8af561e0118f | mp-1048964 | Insert a Lv atom in the line between atoms at indices 40 and 5, and the inserted atom must be 3.11 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Ca6Cr12O24
_chemical_formula_sum "Ca6 Cr12 O24"
_cell_length_a 6.23193746
_cell_length_b 6.23193746
_cell_length_c 15.366012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999427
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ca6Cr12O24Lv
_chemical_formula_sum "Ca6 Cr12 O24 Lv1"
_cell_length_a 6.23193746
_cell_length_b 6.23193746
_cell_length_c 15.366012
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999427
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 1c3f0b6b-1b72-4108-9c12-efea7f2f0843 | mp-2229308 | Insert a Yb atom in the line between atoms at indices 1 and 2, and the inserted atom must be 1.49 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Rb4MgV2Ag2S8
_chemical_formula_sum "Rb4 Mg1 V2 Ag2 S8"
_cell_length_a 5.87448564
_cell_length_b 7.112471019999999
_cell_length_c 13.97644637
_cell_angle_alpha 82.97004932999998
_cell_angle_beta 72.83283597
_cell_angle_gamma 65.57111... | data_image0
_chemical_formula_structural Rb4MgV2Ag2S8Yb
_chemical_formula_sum "Rb4 Mg1 V2 Ag2 S8 Yb1"
_cell_length_a 5.87448564
_cell_length_b 7.112471019999999
_cell_length_c 13.97644637
_cell_angle_alpha 82.97004932999998
_cell_angle_beta 72.83283597
_cell_angle_gamma 65... |
InsertBetweenAtomsAction | 404cf9a5-5a37-4439-8223-8856c12ea831 | mp-1029421 | Insert a Be atom in the line between atoms at indices 8 and 4, and the inserted atom must be 3.28 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Te2MoW3Se6
_chemical_formula_sum "Te2 Mo1 W3 Se6"
_cell_length_a 3.37792624
_cell_length_b 3.37792624
_cell_length_c 38.521538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000461000002
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te2MoW3Se6Be
_chemical_formula_sum "Te2 Mo1 W3 Se6 Be1"
_cell_length_a 3.37792624
_cell_length_b 3.37792624
_cell_length_c 38.521538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000461000002
_space_group_nam... |
InsertBetweenAtomsAction | f8bd2638-b6a0-4ef7-b459-022882bba016 | mp-1192830 | Insert a Ru atom in the line between atoms at indices 12 and 5, and the inserted atom must be 1.83 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Cu6Mo4O20
_chemical_formula_sum "Cu6 Mo4 O20"
_cell_length_a 13.928992
_cell_length_b 5.539769
_cell_length_c 7.51960498
_cell_angle_alpha 47.58404186
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Cu6Mo4O20Ru
_chemical_formula_sum "Cu6 Mo4 O20 Ru1"
_cell_length_a 13.928992
_cell_length_b 5.539769
_cell_length_c 7.51960498
_cell_angle_alpha 47.58404186
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | b829382d-494e-4c57-9130-54c5a4b706e7 | mp-558595 | Insert a Am atom in the line between atoms at indices 7 and 9, and the inserted atom must be 1.43 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12
_chemical_formula_sum "Ba6 Ru3 Cl2 O12"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12Am
_chemical_formula_sum "Ba6 Ru3 Cl2 O12 Am1"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_na... |
InsertBetweenAtomsAction | b30d7544-c96d-4a10-8807-81e51f40f752 | mp-675770 | Insert a Pr atom in the line between atoms at indices 7 and 4, and the inserted atom must be 0.91 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Nd3U2O10
_chemical_formula_sum "Nd3 U2 O10"
_cell_length_a 6.5796035
_cell_length_b 6.5796035
_cell_length_c 8.478072710000001
_cell_angle_alpha 51.801004170000006
_cell_angle_beta 51.801004170000006
_cell_angle_gamma 49.08860705999... | data_image0
_chemical_formula_structural Nd3U2O10Pr
_chemical_formula_sum "Nd3 U2 O10 Pr1"
_cell_length_a 6.5796035
_cell_length_b 6.5796035
_cell_length_c 8.478072710000001
_cell_angle_alpha 51.801004170000006
_cell_angle_beta 51.801004170000006
_cell_angle_gamma 49.08860... |
InsertBetweenAtomsAction | 2d8429af-e448-4d1f-9f81-e73f82628e7b | mp-1041539 | Insert a Nd atom in the line between atoms at indices 11 and 4, and the inserted atom must be 1.78 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ti4Zn2O8
_chemical_formula_sum "Ti4 Zn2 O8"
_cell_length_a 6.1031153
_cell_length_b 6.103115300000001
_cell_length_c 6.1031153
_cell_angle_alpha 121.13934974
_cell_angle_beta 119.7363984
_cell_angle_gamma 89.24758957
_space_group_n... | data_image0
_chemical_formula_structural Ti4Zn2O8Nd
_chemical_formula_sum "Ti4 Zn2 O8 Nd1"
_cell_length_a 6.1031153
_cell_length_b 6.103115300000001
_cell_length_c 6.1031153
_cell_angle_alpha 121.13934974
_cell_angle_beta 119.7363984
_cell_angle_gamma 89.24758957
_space_g... |
InsertBetweenAtomsAction | 037a1867-14ac-4be4-812e-e8d9eb441080 | mp-770874 | Insert a Es atom in the line between atoms at indices 31 and 7, and the inserted atom must be 3.73 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na12Co4P2C8O32Es
_chemical_formula_sum "Na12 Co4 P2 C8 O32 Es1"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 5... |
InsertBetweenAtomsAction | 49bb3962-c4a7-4c10-a5cb-bc74b41742f7 | mp-1252807 | Insert a B atom in the line between atoms at indices 24 and 6, and the inserted atom must be 2.24 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Sr4Al2Ga2Co4O14
_chemical_formula_sum "Sr4 Al2 Ga2 Co4 O14"
_cell_length_a 5.43339978
_cell_length_b 5.63672228
_cell_length_c 11.76159832
_cell_angle_alpha 103.73141681999999
_cell_angle_beta 103.37081140999999
_cell_angle_gamma 90... | data_image0
_chemical_formula_structural Sr4Al2Ga2Co4O14B
_chemical_formula_sum "Sr4 Al2 Ga2 Co4 O14 B1"
_cell_length_a 5.43339978
_cell_length_b 5.63672228
_cell_length_c 11.76159832
_cell_angle_alpha 103.73141681999999
_cell_angle_beta 103.37081140999999
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 91672a01-5bf9-43b8-b164-bc5ab0c981bc | mp-752963 | Insert a As atom in the line between atoms at indices 7 and 16, and the inserted atom must be 1.00 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li4Ti3Ni3O12
_chemical_formula_sum "Li4 Ti3 Ni3 O12"
_cell_length_a 5.21179628
_cell_length_b 7.62971581
_cell_length_c 5.56986462
_cell_angle_alpha 68.58211896
_cell_angle_beta 89.97362202
_cell_angle_gamma 95.94842560000001
_spac... | data_image0
_chemical_formula_structural Li4Ti3Ni3O12As
_chemical_formula_sum "Li4 Ti3 Ni3 O12 As1"
_cell_length_a 5.21179628
_cell_length_b 7.62971581
_cell_length_c 5.56986462
_cell_angle_alpha 68.58211896
_cell_angle_beta 89.97362202
_cell_angle_gamma 95.94842560000001
... |
InsertBetweenAtomsAction | e96e61cb-abcf-42b8-89cf-cb96a0cbc3b6 | mp-760650 | Insert a Sb atom in the line between atoms at indices 21 and 1, and the inserted atom must be 1.15 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Li6Bi2P4O16
_chemical_formula_sum "Li6 Bi2 P4 O16"
_cell_length_a 5.20425907
_cell_length_b 5.20425907
_cell_length_c 15.14421391
_cell_angle_alpha 83.44138098
_cell_angle_beta 83.44138098
_cell_angle_gamma 54.37259545
_space_group... | data_image0
_chemical_formula_structural Li6Bi2P4O16Sb
_chemical_formula_sum "Li6 Bi2 P4 O16 Sb1"
_cell_length_a 5.20425907
_cell_length_b 5.20425907
_cell_length_c 15.14421391
_cell_angle_alpha 83.44138098
_cell_angle_beta 83.44138098
_cell_angle_gamma 54.37259545
_space... |
InsertBetweenAtomsAction | 49c66d71-1694-4aa0-874a-a5566c181c36 | mp-1520689 | Insert a Ar atom in the line between atoms at indices 1 and 8, and the inserted atom must be 3.41 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural BaSrTi4O12
_chemical_formula_sum "Ba1 Sr1 Ti4 O12"
_cell_length_a 5.5757866
_cell_length_b 5.5757866
_cell_length_c 7.87964887
_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 BaSrTi4O12Ar
_chemical_formula_sum "Ba1 Sr1 Ti4 O12 Ar1"
_cell_length_a 5.5757866
_cell_length_b 5.5757866
_cell_length_c 7.87964887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | c5914446-aeab-49d4-a15a-eda2f1996363 | mp-753442 | Insert a Pb atom in the line between atoms at indices 2 and 7, and the inserted atom must be 2.58 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Cr4Co4O16
_chemical_formula_sum "Cr4 Co4 O16"
_cell_length_a 4.951287
_cell_length_b 6.083637
_cell_length_c 10.46366
_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 Cr4Co4O16Pb
_chemical_formula_sum "Cr4 Co4 O16 Pb1"
_cell_length_a 4.951287
_cell_length_b 6.083637
_cell_length_c 10.46366
_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 | 211bec7a-64b8-4961-a697-6b94489d4ac7 | mp-1218036 | Insert a Ru atom in the line between atoms at indices 12 and 15, and the inserted atom must be 5.62 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ta8VC4S8
_chemical_formula_sum "Ta8 V1 C4 S8"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space_group... | data_image0
_chemical_formula_structural Ta8VC4S8Ru
_chemical_formula_sum "Ta8 V1 C4 S8 Ru1"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space... |
InsertBetweenAtomsAction | c859c570-d4cc-46a9-aed1-64eed1da2627 | mp-696656 | Insert a Bi atom in the line between atoms at indices 4 and 27, and the inserted atom must be 2.70 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural B4H16O8F12
_chemical_formula_sum "B4 H16 O8 F12"
_cell_length_a 7.43387
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural B4H16O8F12Bi
_chemical_formula_sum "B4 H16 O8 F12 Bi1"
_cell_length_a 7.43387
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 28f61646-7562-4e7c-80aa-05b4e415941e | mp-1224390 | Insert a N atom in the line between atoms at indices 7 and 9, and the inserted atom must be 1.39 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural HfAu9
_chemical_formula_sum "Hf1 Au9"
_cell_length_a 5.0602821
_cell_length_b 5.0602821
_cell_length_c 9.40062687
_cell_angle_alpha 88.11660357
_cell_angle_beta 88.11660357
_cell_angle_gamma 47.58412455
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural HfAu9N
_chemical_formula_sum "Hf1 Au9 N1"
_cell_length_a 5.0602821
_cell_length_b 5.0602821
_cell_length_c 9.40062687
_cell_angle_alpha 88.11660357
_cell_angle_beta 88.11660357
_cell_angle_gamma 47.58412455
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 1f0da54b-9f67-476b-b5f7-1e7bed43cbad | mp-1036209 | Insert a Pr atom in the line between atoms at indices 14 and 23, and the inserted atom must be 1.68 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Mg14TiMnO16
_chemical_formula_sum "Mg14 Ti1 Mn1 O16"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_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 Mg14TiMnO16Pr
_chemical_formula_sum "Mg14 Ti1 Mn1 O16 Pr1"
_cell_length_a 8.608746
_cell_length_b 8.608746
_cell_length_c 4.274209
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 6ef53b61-58da-4fb2-b45a-f104a574816c | mp-1023294 | Insert a Cn atom in the line between atoms at indices 10 and 12, and the inserted atom must be 2.32 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Mg12Al2Mo2
_chemical_formula_sum "Mg12 Al2 Mo2"
_cell_length_a 4.818345
_cell_length_b 6.156911
_cell_length_c 10.642447
_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 Mg12Al2Mo2Cn
_chemical_formula_sum "Mg12 Al2 Mo2 Cn1"
_cell_length_a 4.818345
_cell_length_b 6.156911
_cell_length_c 10.642447
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 5121dbed-f478-4dc9-8acd-008d5092263e | mp-1411095 | Insert a I atom in the line between atoms at indices 1 and 3, and the inserted atom must be 0.92 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mg2V4O10
_chemical_formula_sum "Mg2 V4 O10"
_cell_length_a 3.430803
_cell_length_b 4.901301
_cell_length_c 11.601949
_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 Mg2V4O10I
_chemical_formula_sum "Mg2 V4 O10 I1"
_cell_length_a 3.430803
_cell_length_b 4.901301
_cell_length_c 11.601949
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
InsertBetweenAtomsAction | 19a98ca2-9c75-4212-850b-a70a4548ca64 | mp-1179989 | Insert a Co atom in the line between atoms at indices 11 and 0, and the inserted atom must be 5.04 angstrom from atom at 11 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 Pd2C8S8I4N16Co
_chemical_formula_sum "Pd2 C8 S8 I4 N16 Co1"
_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 | d3540653-5134-483c-b56a-449473f332cf | mp-1106066 | Insert a Db atom in the line between atoms at indices 13 and 15, and the inserted atom must be 2.82 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural LaSb12Os4
_chemical_formula_sum "La1 Sb12 Os4"
_cell_length_a 8.11137695
_cell_length_b 8.11136872
_cell_length_c 8.11137401
_cell_angle_alpha 109.47122651999997
_cell_angle_beta 109.47125878999998
_cell_angle_gamma 109.47122363
_s... | data_image0
_chemical_formula_structural LaSb12Os4Db
_chemical_formula_sum "La1 Sb12 Os4 Db1"
_cell_length_a 8.11137695
_cell_length_b 8.11136872
_cell_length_c 8.11137401
_cell_angle_alpha 109.47122651999997
_cell_angle_beta 109.47125878999998
_cell_angle_gamma 109.471223... |
InsertBetweenAtomsAction | 0a43640e-fd60-43c5-a846-4f4d90dde336 | mp-975336 | Insert a Mn atom in the line between atoms at indices 13 and 6, and the inserted atom must be 0.85 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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 K4C4S4N4Mn
_chemical_formula_sum "K4 C4 S4 N4 Mn1"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_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 | 2675d62d-318f-4ac9-b8ee-5e0d0da7c544 | mp-624221 | Insert a N atom in the line between atoms at indices 10 and 4, and the inserted atom must be 1.49 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ge6Rh10
_chemical_formula_sum "Ge6 Rh10"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge6Rh10N
_chemical_formula_sum "Ge6 Rh10 N1"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H... |
InsertBetweenAtomsAction | 19d1da01-32e2-4629-a525-c496e72aefe8 | mp-662499 | Insert a Mn atom in the line between atoms at indices 4 and 24, and the inserted atom must be 2.86 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Rb6Mg6Cl18
_chemical_formula_sum "Rb6 Mg6 Cl18"
_cell_length_a 7.09519963
_cell_length_b 7.09519975
_cell_length_c 17.608760289999996
_cell_angle_alpha 89.99999958
_cell_angle_beta 89.99999952
_cell_angle_gamma 119.99928184000001
_... | data_image0
_chemical_formula_structural Rb6Mg6Cl18Mn
_chemical_formula_sum "Rb6 Mg6 Cl18 Mn1"
_cell_length_a 7.09519963
_cell_length_b 7.09519975
_cell_length_c 17.608760289999996
_cell_angle_alpha 89.99999958
_cell_angle_beta 89.99999952
_cell_angle_gamma 119.99928184000... |
InsertBetweenAtomsAction | 302008b7-7e39-4e53-9e87-4a7e36460694 | mp-757606 | Insert a Mo atom in the line between atoms at indices 9 and 6, and the inserted atom must be 1.41 angstrom from atom at 9 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 | dac0e027-938d-49a1-b179-600b9be50b8c | mp-1102836 | Insert a Xe atom in the line between atoms at indices 0 and 2, and the inserted atom must be 3.90 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Bi4Ir4S4
_chemical_formula_sum "Bi4 Ir4 S4"
_cell_length_a 6.219056
_cell_length_b 6.219056
_cell_length_c 6.219056
_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 Bi4Ir4S4Xe
_chemical_formula_sum "Bi4 Ir4 S4 Xe1"
_cell_length_a 6.219056
_cell_length_b 6.219056
_cell_length_c 6.219056
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
InsertBetweenAtomsAction | aeeb987e-3195-420a-b366-54fc51ca0b24 | mp-1188838 | Insert a N atom in the line between atoms at indices 8 and 4, and the inserted atom must be 0.62 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Cs2P2H4O8
_chemical_formula_sum "Cs2 P2 H4 O8"
_cell_length_a 4.94896353
_cell_length_b 6.589359
_cell_length_c 8.03895871
_cell_angle_alpha 90.0
_cell_angle_beta 107.81996615
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Cs2P2H4O8N
_chemical_formula_sum "Cs2 P2 H4 O8 N1"
_cell_length_a 4.94896353
_cell_length_b 6.589359
_cell_length_c 8.03895871
_cell_angle_alpha 90.0
_cell_angle_beta 107.81996615
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 268fa1e3-2c3c-4003-9263-5eb27cb17295 | mp-28092 | Insert a Ra atom in the line between atoms at indices 68 and 49, and the inserted atom must be 1.37 angstrom from atom at 68 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 B40H52O2Ra
_chemical_formula_sum "B40 H52 O2 Ra1"
_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 | ef3c7958-fb09-4313-bf12-5e5e3655464d | mp-2229854 | Insert a I atom in the line between atoms at indices 15 and 14, and the inserted atom must be 0.79 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural MgPb4W2O10
_chemical_formula_sum "Mg1 Pb4 W2 O10"
_cell_length_a 5.87975561
_cell_length_b 7.77356628
_cell_length_c 10.18141938
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.78309567999999
_cell_angle_gamma 89.99999797
_spac... | data_image0
_chemical_formula_structural MgPb4W2O10I
_chemical_formula_sum "Mg1 Pb4 W2 O10 I1"
_cell_length_a 5.87975561
_cell_length_b 7.77356628
_cell_length_c 10.18141938
_cell_angle_alpha 119.91521942
_cell_angle_beta 106.78309567999999
_cell_angle_gamma 89.99999797
_... |
InsertBetweenAtomsAction | a7bd715f-07b6-416e-82d4-483be7c00934 | mp-1200769 | Insert a B atom in the line between atoms at indices 31 and 15, and the inserted atom must be 1.94 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Yb3Ga24Cu12
_chemical_formula_sum "Yb3 Ga24 Cu12"
_cell_length_a 10.18707419
_cell_length_b 10.18707419
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta 129.68595507
_cell_angle_gamma 73.90931848
_space_gr... | data_image0
_chemical_formula_structural Yb3Ga24Cu12B
_chemical_formula_sum "Yb3 Ga24 Cu12 B1"
_cell_length_a 10.18707419
_cell_length_b 10.18707419
_cell_length_c 10.18707419
_cell_angle_alpha 129.68595507
_cell_angle_beta 129.68595507
_cell_angle_gamma 73.90931848
_spac... |
InsertBetweenAtomsAction | e04c4337-fc54-48e0-bc20-f211c8560dda | mp-1245678 | Insert a Np atom in the line between atoms at indices 28 and 47, and the inserted atom must be 9.23 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Y16Al16N32
_chemical_formula_sum "Y16 Al16 N32"
_cell_length_a 5.117963
_cell_length_b 10.130638
_cell_length_c 16.120956
_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 Y16Al16N32Np
_chemical_formula_sum "Y16 Al16 N32 Np1"
_cell_length_a 5.117963
_cell_length_b 10.130638
_cell_length_c 16.120956
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 9414655a-0f1e-4a04-ace3-e85ed57ea575 | mp-754770 | Insert a Sb atom in the line between atoms at indices 17 and 9, and the inserted atom must be 1.86 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4F12
_chemical_formula_sum "Li4 Mn4 F12"
_cell_length_a 10.224994
_cell_length_b 3.803119
_cell_length_c 6.94525512
_cell_angle_alpha 87.3230362
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Li4Mn4F12Sb
_chemical_formula_sum "Li4 Mn4 F12 Sb1"
_cell_length_a 10.224994
_cell_length_b 3.803119
_cell_length_c 6.94525512
_cell_angle_alpha 87.3230362
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 1ee12c70-83dd-4b2b-ad65-108041a3550f | mp-1225843 | Insert a Ac atom in the line between atoms at indices 2 and 59, and the inserted atom must be 3.40 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural K6Te3H32O28
_chemical_formula_sum "K6 Te3 H32 O28"
_cell_length_a 8.16066967
_cell_length_b 9.343131350000002
_cell_length_c 10.28043837
_cell_angle_alpha 101.91143083
_cell_angle_beta 106.78901273
_cell_angle_gamma 95.86402284
_sp... | data_image0
_chemical_formula_structural K6Te3H32O28Ac
_chemical_formula_sum "K6 Te3 H32 O28 Ac1"
_cell_length_a 8.16066967
_cell_length_b 9.343131350000002
_cell_length_c 10.28043837
_cell_angle_alpha 101.91143083
_cell_angle_beta 106.78901273
_cell_angle_gamma 95.8640228... |
InsertBetweenAtomsAction | 8888386e-6bca-4059-a4a3-0ca901cb23ec | mp-774653 | Insert a Hs atom in the line between atoms at indices 12 and 27, and the inserted atom must be 5.66 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li4Mn3Cu2Sn3O16
_chemical_formula_sum "Li4 Mn3 Cu2 Sn3 O16"
_cell_length_a 6.08433247
_cell_length_b 6.10424729
_cell_length_c 9.81937428
_cell_angle_alpha 89.99063356
_cell_angle_beta 87.51752301
_cell_angle_gamma 120.1096729200000... | data_image0
_chemical_formula_structural Li4Mn3Cu2Sn3O16Hs
_chemical_formula_sum "Li4 Mn3 Cu2 Sn3 O16 Hs1"
_cell_length_a 6.08433247
_cell_length_b 6.10424729
_cell_length_c 9.81937428
_cell_angle_alpha 89.99063356
_cell_angle_beta 87.51752301
_cell_angle_gamma 120.1096729... |
InsertBetweenAtomsAction | 73dc444d-4a30-46dd-8208-1c222cc9bade | mp-16623 | Insert a Mg atom in the line between atoms at indices 4 and 0, and the inserted atom must be 1.90 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Dy2Al14Au6
_chemical_formula_sum "Dy2 Al14 Au6"
_cell_length_a 8.38060428
_cell_length_b 8.38060428
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_cell_angle_beta 57.344522659999996
_cell_angle_gamma 57.34453745
_sp... | data_image0
_chemical_formula_structural Dy2Al14Au6Mg
_chemical_formula_sum "Dy2 Al14 Au6 Mg1"
_cell_length_a 8.38060428
_cell_length_b 8.38060428
_cell_length_c 8.38060463
_cell_angle_alpha 57.34452265999998
_cell_angle_beta 57.344522659999996
_cell_angle_gamma 57.3445374... |
InsertBetweenAtomsAction | b7723153-bc30-4d72-b4ef-696a97f1641f | mp-1191448 | Insert a Bh atom in the line between atoms at indices 11 and 7, and the inserted atom must be 1.49 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Co2I4O16
_chemical_formula_sum "Co2 I4 O16"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_name_H-... | data_image0
_chemical_formula_structural Co2I4O16Bh
_chemical_formula_sum "Co2 I4 O16 Bh1"
_cell_length_a 4.66295458
_cell_length_b 6.6695645
_cell_length_c 10.05738111
_cell_angle_alpha 95.95701042
_cell_angle_beta 91.16647125
_cell_angle_gamma 89.43641549
_space_group_n... |
InsertBetweenAtomsAction | 054adb0f-0fe4-4757-b1b2-5ab6ec935d29 | mp-558801 | Insert a S atom in the line between atoms at indices 23 and 25, and the inserted atom must be 4.12 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural K4Pr8Cl18O4
_chemical_formula_sum "K4 Pr8 Cl18 O4"
_cell_length_a 11.496786
_cell_length_b 8.479488
_cell_length_c 9.59411548
_cell_angle_alpha 75.56137175
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural K4Pr8Cl18O4S
_chemical_formula_sum "K4 Pr8 Cl18 O4 S1"
_cell_length_a 11.496786
_cell_length_b 8.479488
_cell_length_c 9.59411548
_cell_angle_alpha 75.56137175
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 376df771-d52a-47ba-b5e7-76565ec9bc31 | mp-1192120 | Insert a Np atom in the line between atoms at indices 0 and 20, and the inserted atom must be 2.72 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Si3N6F12
_chemical_formula_sum "Si3 N6 F12"
_cell_length_a 18.42231637
_cell_length_b 18.422316369999997
_cell_length_c 18.422316370000004
_cell_angle_alpha 163.13371695
_cell_angle_beta 163.00515556999994
_cell_angle_gamma 24.03236... | data_image0
_chemical_formula_structural Si3N6F12Np
_chemical_formula_sum "Si3 N6 F12 Np1"
_cell_length_a 18.42231637
_cell_length_b 18.422316369999997
_cell_length_c 18.422316370000004
_cell_angle_alpha 163.13371695
_cell_angle_beta 163.00515556999994
_cell_angle_gamma 24... |
InsertBetweenAtomsAction | 7561b1ef-1548-4b71-b8e5-3133f10dec80 | mp-1216954 | Insert a Ar atom in the line between atoms at indices 10 and 9, and the inserted atom must be 0.35 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Tm6Sc6Ge6
_chemical_formula_sum "Tm6 Sc6 Ge6"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_space_grou... | data_image0
_chemical_formula_structural Tm6Sc6Ge6Ar
_chemical_formula_sum "Tm6 Sc6 Ge6 Ar1"
_cell_length_a 6.11750201
_cell_length_b 8.67726062
_cell_length_c 9.09550533
_cell_angle_alpha 58.399634080000006
_cell_angle_beta 90.00032653
_cell_angle_gamma 90.00560102
_spac... |
InsertBetweenAtomsAction | bb3fbe7d-d464-4234-857f-fb463a210355 | mp-1204089 | Insert a U atom in the line between atoms at indices 5 and 40, and the inserted atom must be 8.05 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Cs6Li6U6P12S48
_chemical_formula_sum "Cs6 Li6 U6 P12 S48"
_cell_length_a 13.24006715
_cell_length_b 13.24006715
_cell_length_c 13.24006738
_cell_angle_alpha 72.46178374
_cell_angle_beta 72.46178374
_cell_angle_gamma 72.46178663
_sp... | data_image0
_chemical_formula_structural Cs6Li6U6P12S48U
_chemical_formula_sum "Cs6 Li6 U7 P12 S48"
_cell_length_a 13.24006715
_cell_length_b 13.24006715
_cell_length_c 13.24006738
_cell_angle_alpha 72.46178374
_cell_angle_beta 72.46178374
_cell_angle_gamma 72.46178663
_s... |
InsertBetweenAtomsAction | 37cd24a9-57ac-4877-8f89-52fc954765ca | mp-1193266 | Insert a As atom in the line between atoms at indices 2 and 7, and the inserted atom must be 0.80 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... | data_image0
_chemical_formula_structural Al2H16C6N2Cl4As
_chemical_formula_sum "Al2 H16 C6 N2 Cl4 As1"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843... |
InsertBetweenAtomsAction | 1258adcf-64ed-44f4-9bcc-570795d5d8bb | mp-2228948 | Insert a Be atom in the line between atoms at indices 5 and 11, and the inserted atom must be 1.32 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural MgSb2P2H2O10
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102.11707... | data_image0
_chemical_formula_structural MgSb2P2H2O10Be
_chemical_formula_sum "Mg1 Sb2 P2 H2 O10 Be1"
_cell_length_a 5.76325631
_cell_length_b 8.85352955
_cell_length_c 5.20686331
_cell_angle_alpha 113.16759672999999
_cell_angle_beta 96.79631689000001
_cell_angle_gamma 102... |
InsertBetweenAtomsAction | 95680b58-8cd6-4373-b7ac-ab8ee2bccf13 | mp-1213259 | Insert a Mn atom in the line between atoms at indices 17 and 48, and the inserted atom must be 4.85 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Mn32Sn20
_chemical_formula_sum "Mn32 Sn20"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_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 Mn32Sn20Mn
_chemical_formula_sum "Mn33 Sn20"
_cell_length_a 5.4564
_cell_length_b 7.510068
_cell_length_c 21.53213
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... |
InsertBetweenAtomsAction | d0ccfbc0-83d0-4a6b-a02d-ec14ee81a466 | mp-1028199 | Insert a Nd atom in the line between atoms at indices 6 and 1, and the inserted atom must be 4.08 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mg14AlZn
_chemical_formula_sum "Mg14 Al1 Zn1"
_cell_length_a 6.27904535
_cell_length_b 6.27904485
_cell_length_c 10.29947357
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000258
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg14AlZnNd
_chemical_formula_sum "Mg14 Al1 Zn1 Nd1"
_cell_length_a 6.27904535
_cell_length_b 6.27904485
_cell_length_c 10.29947357
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000258
_space_group_name_H-M_al... |
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