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 | 0fa84e98-331b-45a0-84d0-36b49e267823 | mp-2227842 | Insert a Au atom in the line between atoms at indices 5 and 7, and the inserted atom must be 0.41 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural MgBi4O8
_chemical_formula_sum "Mg1 Bi4 O8"
_cell_length_a 5.62608818
_cell_length_b 7.93709688
_cell_length_c 7.528547720000001
_cell_angle_alpha 65.96628476
_cell_angle_beta 55.84103581000001
_cell_angle_gamma 52.855121849999996
_... | data_image0
_chemical_formula_structural MgBi4O8Au
_chemical_formula_sum "Mg1 Bi4 O8 Au1"
_cell_length_a 5.62608818
_cell_length_b 7.93709688
_cell_length_c 7.528547720000001
_cell_angle_alpha 65.96628476
_cell_angle_beta 55.84103581000001
_cell_angle_gamma 52.855121849999... |
InsertBetweenAtomsAction | 4b1e28f3-6cdd-433f-bdd9-5beb28751e7d | mp-1027965 | Insert a At atom in the line between atoms at indices 1 and 9, and the inserted atom must be 0.59 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural YMg14GaAt
_chemical_formula_sum "Y1 Mg14 Ga1 At1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H... |
InsertBetweenAtomsAction | 11baf95d-a4fd-4192-8426-4860da00980d | mp-2958 | Insert a Te atom in the line between atoms at indices 3 and 2, and the inserted atom must be 0.95 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Dy2B4C4
_chemical_formula_sum "Dy2 B4 C4"
_cell_length_a 3.57203823
_cell_length_b 5.33014105
_cell_length_c 5.33014105
_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 Dy2B4C4Te
_chemical_formula_sum "Dy2 B4 C4 Te1"
_cell_length_a 3.57203823
_cell_length_b 5.33014105
_cell_length_c 5.33014105
_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 | 8dd8d3a6-9b9d-43be-8e23-ba70980e8a90 | mp-542012 | Insert a Cs atom in the line between atoms at indices 34 and 22, and the inserted atom must be 3.29 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Rb8Hf6S28
_chemical_formula_sum "Rb8 Hf6 S28"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma 41... | data_image0
_chemical_formula_structural Rb8Hf6S28Cs
_chemical_formula_sum "Rb8 Hf6 S28 Cs1"
_cell_length_a 11.68521516
_cell_length_b 11.685215160000002
_cell_length_c 13.619825350000001
_cell_angle_alpha 69.26119854000001
_cell_angle_beta 69.26119854000001
_cell_angle_gamma... |
InsertBetweenAtomsAction | 4fc7ac94-aa83-4b1a-8234-be21e901348d | mp-1075015 | Insert a Rb atom in the line between atoms at indices 13 and 2, and the inserted atom must be 4.40 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Mg6Si8
_chemical_formula_sum "Mg6 Si8"
_cell_length_a 5.044503
_cell_length_b 7.35325489
_cell_length_c 7.916554249999999
_cell_angle_alpha 74.21862641
_cell_angle_beta 71.62100249
_cell_angle_gamma 83.72573839
_space_group_name_H-... | data_image0
_chemical_formula_structural Mg6Si8Rb
_chemical_formula_sum "Mg6 Si8 Rb1"
_cell_length_a 5.044503
_cell_length_b 7.35325489
_cell_length_c 7.916554249999999
_cell_angle_alpha 74.21862641
_cell_angle_beta 71.62100249
_cell_angle_gamma 83.72573839
_space_group_n... |
InsertBetweenAtomsAction | d8623bd7-8ff5-4de7-898b-64d4e57e14e8 | mp-17822 | Insert a Sc atom in the line between atoms at indices 16 and 20, and the inserted atom must be 1.09 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... | data_image0
_chemical_formula_structural Dy8Mo4O24Sc
_chemical_formula_sum "Dy8 Mo4 O24 Sc1"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space... |
InsertBetweenAtomsAction | 0e6dfef6-e99d-4cf8-be28-22436e11c667 | mp-1212718 | Insert a Tb atom in the line between atoms at indices 4 and 17, and the inserted atom must be 4.67 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ga12Te12Br4
_chemical_formula_sum "Ga12 Te12 Br4"
_cell_length_a 4.11658704
_cell_length_b 11.12482074
_cell_length_c 19.49617953
_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 Ga12Te12Br4Tb
_chemical_formula_sum "Ga12 Te12 Br4 Tb1"
_cell_length_a 4.11658704
_cell_length_b 11.12482074
_cell_length_c 19.49617953
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | effe49e9-015a-4124-b1d0-3b77ba489e8e | mp-1200154 | Insert a Mg atom in the line between atoms at indices 0 and 39, and the inserted atom must be 3.91 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural P8Pb4O32
_chemical_formula_sum "P8 Pb4 O32"
_cell_length_a 7.8682906
_cell_length_b 8.05711769
_cell_length_c 11.840985
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.23814935
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural P8Pb4O32Mg
_chemical_formula_sum "P8 Pb4 O32 Mg1"
_cell_length_a 7.8682906
_cell_length_b 8.05711769
_cell_length_c 11.840985
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 111.23814935
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | f9743a90-3950-4c43-8b4a-260b1c06275a | mp-1105573 | Insert a Po atom in the line between atoms at indices 6 and 11, and the inserted atom must be 3.47 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ba4Gd2Ga2Te10
_chemical_formula_sum "Ba4 Gd2 Ga2 Te10"
_cell_length_a 7.886872
_cell_length_b 9.38563543
_cell_length_c 10.21431839
_cell_angle_alpha 103.46426365
_cell_angle_beta 103.16181235
_cell_angle_gamma 107.37670959999998
_... | data_image0
_chemical_formula_structural Ba4Gd2Ga2Te10Po
_chemical_formula_sum "Ba4 Gd2 Ga2 Te10 Po1"
_cell_length_a 7.886872
_cell_length_b 9.38563543
_cell_length_c 10.21431839
_cell_angle_alpha 103.46426365
_cell_angle_beta 103.16181235
_cell_angle_gamma 107.37670959999... |
InsertBetweenAtomsAction | 94b616c6-e8bf-4ad7-a15e-9e81941d2a9f | mp-2219347 | Insert a Ts atom in the line between atoms at indices 1 and 5, and the inserted atom must be 8.72 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural MgTe4Mo2W2S4
_chemical_formula_sum "Mg1 Te4 Mo2 W2 S4"
_cell_length_a 3.367064
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_cell_angle_gamma 119.995444020000... | data_image0
_chemical_formula_structural MgTe4Mo2W2S4Ts
_chemical_formula_sum "Mg1 Te4 Mo2 W2 S4 Ts1"
_cell_length_a 3.367064
_cell_length_b 3.36752034
_cell_length_c 43.793182630000004
_cell_angle_alpha 89.87165726
_cell_angle_beta 89.99991883
_cell_angle_gamma 119.995444... |
InsertBetweenAtomsAction | 270b8e59-4086-4425-9e81-89339ff96fb6 | mp-1237261 | Insert a Ir atom in the line between atoms at indices 15 and 10, and the inserted atom must be 1.14 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Ba3MnF12
_chemical_formula_sum "Ba3 Mn1 F12"
_cell_length_a 8.16736363
_cell_length_b 8.16736363
_cell_length_c 6.800095679999999
_cell_angle_alpha 88.67356185
_cell_angle_beta 88.67356185
_cell_angle_gamma 119.35473064
_space_grou... | data_image0
_chemical_formula_structural Ba3MnF12Ir
_chemical_formula_sum "Ba3 Mn1 F12 Ir1"
_cell_length_a 8.16736363
_cell_length_b 8.16736363
_cell_length_c 6.800095679999999
_cell_angle_alpha 88.67356185
_cell_angle_beta 88.67356185
_cell_angle_gamma 119.35473064
_spac... |
InsertBetweenAtomsAction | 0ab1695a-be7e-4be2-a7a9-9329612ad96b | mp-672679 | Insert a He atom in the line between atoms at indices 20 and 18, and the inserted atom must be 1.16 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Y16In4Ir4
_chemical_formula_sum "Y16 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... | data_image0
_chemical_formula_structural Y16In4Ir4He
_chemical_formula_sum "Y16 In4 Ir4 He1"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995... |
InsertBetweenAtomsAction | 5d5d0f50-ee0d-4926-a2e4-f2ba94ad29f2 | mp-1228441 | Insert a Sg atom in the line between atoms at indices 3 and 27, and the inserted atom must be 2.96 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba7Hg31Sg
_chemical_formula_sum "Ba7 Hg31 Sg1"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M... |
InsertBetweenAtomsAction | f34fbacb-3fe7-4de0-9520-152e1df68822 | mp-1111648 | Insert a Po atom in the line between atoms at indices 6 and 3, and the inserted atom must be 2.81 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural K2NaDyCl6
_chemical_formula_sum "K2 Na1 Dy1 Cl6"
_cell_length_a 7.58312909
_cell_length_b 7.58312909
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural K2NaDyCl6Po
_chemical_formula_sum "K2 Na1 Dy1 Cl6 Po1"
_cell_length_a 7.58312909
_cell_length_b 7.58312909
_cell_length_c 7.58312909
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
InsertBetweenAtomsAction | 13dd1d44-abce-4741-a24b-4b3cda3296e3 | mp-1201281 | Insert a Re atom in the line between atoms at indices 0 and 33, and the inserted atom must be 1.89 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Cs4Np4Mo4O28Re
_chemical_formula_sum "Cs4 Np4 Mo4 O28 Re1"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 5a61dcc4-7c7d-45b0-8ace-69d6243c87f9 | mp-1208464 | Insert a Np atom in the line between atoms at indices 8 and 17, and the inserted atom must be 1.66 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Tb16Mg4Co4
_chemical_formula_sum "Tb16 Mg4 Co4"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920851
_spa... | data_image0
_chemical_formula_structural Tb16Mg4Co4Np
_chemical_formula_sum "Tb16 Mg4 Co4 Np1"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920851... |
InsertBetweenAtomsAction | 889db19d-ab46-49ca-858f-609ac56b15db | mp-1222170 | Insert a Bh atom in the line between atoms at indices 5 and 12, and the inserted atom must be 0.98 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mg3MnNi3O8
_chemical_formula_sum "Mg3 Mn1 Ni3 O8"
_cell_length_a 5.94826563
_cell_length_b 5.94826563
_cell_length_c 5.948265850000001
_cell_angle_alpha 60.51667304000001
_cell_angle_beta 60.51667304000001
_cell_angle_gamma 60.51667... | data_image0
_chemical_formula_structural Mg3MnNi3O8Bh
_chemical_formula_sum "Mg3 Mn1 Ni3 O8 Bh1"
_cell_length_a 5.94826563
_cell_length_b 5.94826563
_cell_length_c 5.948265850000001
_cell_angle_alpha 60.51667304000001
_cell_angle_beta 60.51667304000001
_cell_angle_gamma 60... |
InsertBetweenAtomsAction | f9516b20-764f-4761-befc-5d13957dfa5a | mp-559052 | Insert a Cs atom in the line between atoms at indices 15 and 5, and the inserted atom must be 3.06 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li2Nb6Bi8O28
_chemical_formula_sum "Li2 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... | data_image0
_chemical_formula_structural Li2Nb6Bi8O28Cs
_chemical_formula_sum "Li2 Nb6 Bi8 O28 Cs1"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space... |
InsertBetweenAtomsAction | e523cb4f-35c3-47ca-89b1-83eefcc73715 | mp-2715422 | Insert a Nh atom in the line between atoms at indices 77 and 71, and the inserted atom must be 6.08 angstrom from atom at 77 in the cif file. | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48Nh
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48 Nh1"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567... |
InsertBetweenAtomsAction | ba21a237-a148-4ef9-9e24-f2916dcaeca1 | mp-1249486 | Insert a Te atom in the line between atoms at indices 71 and 32, and the inserted atom must be 3.92 angstrom from atom at 71 in the cif file. | data_image0
_chemical_formula_structural Mn12Si12O48
_chemical_formula_sum "Mn12 Si12 O48"
_cell_length_a 10.01614152
_cell_length_b 10.01614152
_cell_length_c 10.01614152
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_g... | data_image0
_chemical_formula_structural Mn12Si12O48Te
_chemical_formula_sum "Mn12 Si12 O48 Te1"
_cell_length_a 10.01614152
_cell_length_b 10.01614152
_cell_length_c 10.01614152
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_s... |
InsertBetweenAtomsAction | e694375e-c4c2-4bd5-95e2-eaa3d08dda11 | mp-557006 | Insert a Gd atom in the line between atoms at indices 16 and 7, and the inserted atom must be 3.79 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Na8Sb4S4O16F12
_chemical_formula_sum "Na8 Sb4 S4 O16 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_name_... | data_image0
_chemical_formula_structural Na8Sb4S4O16F12Gd
_chemical_formula_sum "Na8 Sb4 S4 O16 F12 Gd1"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group... |
InsertBetweenAtomsAction | 103d00f9-3243-4781-98c1-ec9995d929b5 | mp-1076741 | Insert a Te atom in the line between atoms at indices 25 and 27, and the inserted atom must be 0.51 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Sr6Ca2Co7CuO24
_chemical_formula_sum "Sr6 Ca2 Co7 Cu1 O24"
_cell_length_a 7.6961361
_cell_length_b 7.6961361
_cell_length_c 7.71022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.01116017000001
_space_group_name_... | data_image0
_chemical_formula_structural Sr6Ca2Co7CuO24Te
_chemical_formula_sum "Sr6 Ca2 Co7 Cu1 O24 Te1"
_cell_length_a 7.6961361
_cell_length_b 7.6961361
_cell_length_c 7.71022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.01116017000001
_space_group... |
InsertBetweenAtomsAction | 6de413e9-50aa-40f9-83d6-b7e8fb163bcc | mp-1246897 | Insert a As atom in the line between atoms at indices 12 and 11, and the inserted atom must be 2.07 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural LuMg2Mn3S8
_chemical_formula_sum "Lu1 Mg2 Mn3 S8"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_space_g... | data_image0
_chemical_formula_structural LuMg2Mn3S8As
_chemical_formula_sum "Lu1 Mg2 Mn3 S8 As1"
_cell_length_a 7.42514312
_cell_length_b 7.42512125
_cell_length_c 7.42449994
_cell_angle_alpha 59.42698339
_cell_angle_beta 59.42798618999999
_cell_angle_gamma 59.42385288
_s... |
InsertBetweenAtomsAction | 5c0a6a97-9fff-4500-b175-df7f06731410 | mp-768624 | Insert a Ir atom in the line between atoms at indices 45 and 4, and the inserted atom must be 1.75 angstrom from atom at 45 in the cif file. | data_image0
_chemical_formula_structural Li8Fe4P4C4O28
_chemical_formula_sum "Li8 Fe4 P4 C4 O28"
_cell_length_a 5.090515
_cell_length_b 6.510724439999999
_cell_length_c 16.63003167
_cell_angle_alpha 90.54223525
_cell_angle_beta 94.86125423
_cell_angle_gamma 90.23214153
_s... | data_image0
_chemical_formula_structural Li8Fe4P4C4O28Ir
_chemical_formula_sum "Li8 Fe4 P4 C4 O28 Ir1"
_cell_length_a 5.090515
_cell_length_b 6.510724439999999
_cell_length_c 16.63003167
_cell_angle_alpha 90.54223525
_cell_angle_beta 94.86125423
_cell_angle_gamma 90.232141... |
InsertBetweenAtomsAction | f3749f18-a71d-4873-a6f6-c71a2ddddc84 | mp-2233834 | Insert a Db atom in the line between atoms at indices 3 and 9, and the inserted atom must be 1.37 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural MgFe4O6F2
_chemical_formula_sum "Mg1 Fe4 O6 F2"
_cell_length_a 5.29233428
_cell_length_b 9.57097293
_cell_length_c 3.07173475
_cell_angle_alpha 90.09601163
_cell_angle_beta 90.04195788
_cell_angle_gamma 98.25807751999999
_space_gro... | data_image0
_chemical_formula_structural MgFe4O6F2Db
_chemical_formula_sum "Mg1 Fe4 O6 F2 Db1"
_cell_length_a 5.29233428
_cell_length_b 9.57097293
_cell_length_c 3.07173475
_cell_angle_alpha 90.09601163
_cell_angle_beta 90.04195788
_cell_angle_gamma 98.25807751999999
_spa... |
InsertBetweenAtomsAction | 9597d66a-f999-44cc-adcd-b31aac4c76fd | mp-1218118 | Insert a Be atom in the line between atoms at indices 4 and 5, and the inserted atom must be 0.50 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural SrSm3Mn4O12
_chemical_formula_sum "Sr1 Sm3 Mn4 O12"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrSm3Mn4O12Be
_chemical_formula_sum "Sr1 Sm3 Mn4 O12 Be1"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 7711af94-f418-43bd-8e86-a7b5c035fa49 | mp-1247633 | Insert a Ts atom in the line between atoms at indices 34 and 9, and the inserted atom must be 1.72 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural SrCa7Mn6Cr2O23
_chemical_formula_sum "Sr1 Ca7 Mn6 Cr2 O23"
_cell_length_a 7.63631933
_cell_length_b 7.66920445
_cell_length_c 7.69493818
_cell_angle_alpha 89.79614860000001
_cell_angle_beta 89.83821673000001
_cell_angle_gamma 89.951... | data_image0
_chemical_formula_structural SrCa7Mn6Cr2O23Ts
_chemical_formula_sum "Sr1 Ca7 Mn6 Cr2 O23 Ts1"
_cell_length_a 7.63631933
_cell_length_b 7.66920445
_cell_length_c 7.69493818
_cell_angle_alpha 89.79614860000001
_cell_angle_beta 89.83821673000001
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 937c53c2-fa13-4bb2-b95f-336d087630f2 | mp-1102559 | Insert a Np atom in the line between atoms at indices 9 and 11, and the inserted atom must be 8.96 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Nb4Se8
_chemical_formula_sum "Nb4 Se8"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Nb4Se8Np
_chemical_formula_sum "Nb4 Se8 Np1"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 67d83fec-f103-435a-a7f1-2458dcd56a3c | mp-1305999 | Insert a Pr atom in the line between atoms at indices 13 and 1, and the inserted atom must be 2.46 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... | data_image0
_chemical_formula_structural Li3TiNi4O8Pr
_chemical_formula_sum "Li3 Ti1 Ni4 O8 Pr1"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999... |
InsertBetweenAtomsAction | e265967c-82e7-4379-9561-9e4d04e293ed | mp-23477 | Insert a Zr atom in the line between atoms at indices 12 and 14, and the inserted atom must be 0.82 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Mn4Bi4O12
_chemical_formula_sum "Mn4 Bi4 O12"
_cell_length_a 5.62901617
_cell_length_b 5.62945159
_cell_length_c 9.85565012
_cell_angle_alpha 91.89493016
_cell_angle_beta 105.05685774
_cell_angle_gamma 119.16396708
_space_group_nam... | data_image0
_chemical_formula_structural Mn4Bi4O12Zr
_chemical_formula_sum "Mn4 Bi4 O12 Zr1"
_cell_length_a 5.62901617
_cell_length_b 5.62945159
_cell_length_c 9.85565012
_cell_angle_alpha 91.89493016
_cell_angle_beta 105.05685774
_cell_angle_gamma 119.16396708
_space_gro... |
InsertBetweenAtomsAction | e8e45e51-a226-4f71-b322-7e8d90b1117d | mp-1211547 | Insert a Al atom in the line between atoms at indices 10 and 7, and the inserted atom must be 2.99 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural K8Th4O12
_chemical_formula_sum "K8 Th4 O12"
_cell_length_a 6.41860493
_cell_length_b 6.41860493
_cell_length_c 12.709467510000001
_cell_angle_alpha 85.06562274
_cell_angle_beta 85.06562274
_cell_angle_gamma 120.1051011
_space_group... | data_image0
_chemical_formula_structural K8Th4O12Al
_chemical_formula_sum "K8 Th4 O12 Al1"
_cell_length_a 6.41860493
_cell_length_b 6.41860493
_cell_length_c 12.709467510000001
_cell_angle_alpha 85.06562274
_cell_angle_beta 85.06562274
_cell_angle_gamma 120.1051011
_space... |
InsertBetweenAtomsAction | 9914a3d7-9c8a-46cd-bdf5-74d26aa9a285 | mp-1196274 | Insert a Pu atom in the line between atoms at indices 7 and 25, and the inserted atom must be 4.01 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mg4C6Cl2O30
_chemical_formula_sum "Mg4 C6 Cl2 O30"
_cell_length_a 14.05252094
_cell_length_b 14.05252094
_cell_length_c 14.05252174
_cell_angle_alpha 29.35717678999999
_cell_angle_beta 29.35717678999999
_cell_angle_gamma 29.35717676... | data_image0
_chemical_formula_structural Mg4C6Cl2O30Pu
_chemical_formula_sum "Mg4 C6 Cl2 O30 Pu1"
_cell_length_a 14.05252094
_cell_length_b 14.05252094
_cell_length_c 14.05252174
_cell_angle_alpha 29.35717678999999
_cell_angle_beta 29.35717678999999
_cell_angle_gamma 29.35... |
InsertBetweenAtomsAction | 5dc70ea7-5770-45d5-9d00-b2427d0a911c | mp-800838 | Insert a Fm atom in the line between atoms at indices 37 and 35, and the inserted atom must be 0.75 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural Mn2Al2P4H30O30
_chemical_formula_sum "Mn2 Al2 P4 H30 O30"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.03570302
... | data_image0
_chemical_formula_structural Mn2Al2P4H30O30Fm
_chemical_formula_sum "Mn2 Al2 P4 H30 O30 Fm1"
_cell_length_a 9.711474
_cell_length_b 10.19269047
_cell_length_c 7.01071954
_cell_angle_alpha 109.53788970000001
_cell_angle_beta 99.52596611
_cell_angle_gamma 99.0357... |
InsertBetweenAtomsAction | 0424fe2b-87f8-4248-8ea7-b94a92d44f22 | mp-1200810 | Insert a Ta atom in the line between atoms at indices 51 and 32, and the inserted atom must be 1.55 angstrom from atom at 51 in the cif file. | data_image0
_chemical_formula_structural Cs16Nb8S44
_chemical_formula_sum "Cs16 Nb8 S44"
_cell_length_a 14.244914
_cell_length_b 8.242934
_cell_length_c 18.75667
_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 Cs16Nb8S44Ta
_chemical_formula_sum "Cs16 Nb8 S44 Ta1"
_cell_length_a 14.244914
_cell_length_b 8.242934
_cell_length_c 18.75667
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | df586ea9-9b93-4791-8f69-6acf230ba78d | mp-1210133 | Insert a Ge atom in the line between atoms at indices 32 and 38, and the inserted atom must be 4.10 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4Ga4P8O28Ge
_chemical_formula_sum "Na4 Ga4 P8 O28 Ge1"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 620cd966-6a3d-44ef-8cf0-b37743e5083d | mp-1227615 | Insert a Li atom in the line between atoms at indices 25 and 3, and the inserted atom must be 8.40 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Ce4ZrCo25
_chemical_formula_sum "Ce4 Zr1 Co25"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_space_gro... | data_image0
_chemical_formula_structural Ce4ZrCo25Li
_chemical_formula_sum "Ce4 Zr1 Co25 Li1"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_spa... |
InsertBetweenAtomsAction | f539cfdd-531e-4947-9f60-db332d81fb90 | mp-2019122 | Insert a Gd atom in the line between atoms at indices 8 and 4, and the inserted atom must be 5.72 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Sm4Br8
_chemical_formula_sum "Sm4 Br8"
_cell_length_a 3.97962433
_cell_length_b 6.79900415
_cell_length_c 14.29591839
_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 Sm4Br8Gd
_chemical_formula_sum "Sm4 Br8 Gd1"
_cell_length_a 3.97962433
_cell_length_b 6.79900415
_cell_length_c 14.29591839
_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 | 85c075b5-8d1d-41c1-a032-2f86a72d33df | mp-861565 | Insert a Sr atom in the line between atoms at indices 16 and 8, and the inserted atom must be 1.05 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Mn7O3F9
_chemical_formula_sum "Mn7 O3 F9"
_cell_length_a 6.319617
_cell_length_b 6.36859739
_cell_length_c 6.47183273
_cell_angle_alpha 89.80964627
_cell_angle_beta 89.10617251999999
_cell_angle_gamma 89.38792207
_space_group_name_... | data_image0
_chemical_formula_structural Mn7O3F9Sr
_chemical_formula_sum "Mn7 O3 F9 Sr1"
_cell_length_a 6.319617
_cell_length_b 6.36859739
_cell_length_c 6.47183273
_cell_angle_alpha 89.80964627
_cell_angle_beta 89.10617251999999
_cell_angle_gamma 89.38792207
_space_group... |
InsertBetweenAtomsAction | bf7290eb-8adc-4b64-9609-66f8c20ba02b | mp-995218 | Insert a Ta atom in the line between atoms at indices 20 and 4, and the inserted atom must be 5.77 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural H8C10O4
_chemical_formula_sum "H8 C10 O4"
_cell_length_a 4.579524
_cell_length_b 6.002159869999999
_cell_length_c 9.11976597
_cell_angle_alpha 95.13690385
_cell_angle_beta 101.65791057000001
_cell_angle_gamma 111.98061829000001
_sp... | data_image0
_chemical_formula_structural H8C10O4Ta
_chemical_formula_sum "H8 C10 O4 Ta1"
_cell_length_a 4.579524
_cell_length_b 6.002159869999999
_cell_length_c 9.11976597
_cell_angle_alpha 95.13690385
_cell_angle_beta 101.65791057000001
_cell_angle_gamma 111.9806182900000... |
InsertBetweenAtomsAction | 200372bc-e1fc-46f4-b6ef-f23bb412bc78 | mp-1192592 | Insert a As atom in the line between atoms at indices 10 and 5, and the inserted atom must be 6.20 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ce6Mg23Sb
_chemical_formula_sum "Ce6 Mg23 Sb1"
_cell_length_a 10.28510572
_cell_length_b 10.28510572
_cell_length_c 10.28510572
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Ce6Mg23SbAs
_chemical_formula_sum "Ce6 Mg23 Sb1 As1"
_cell_length_a 10.28510572
_cell_length_b 10.28510572
_cell_length_c 10.28510572
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
InsertBetweenAtomsAction | 7da8e572-7ca1-4ce1-a4c8-789a58a94efb | mp-1217721 | Insert a P atom in the line between atoms at indices 12 and 16, and the inserted atom must be 4.13 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Tb6Al8Fe4
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... | data_image0
_chemical_formula_structural Tb6Al8Fe4P
_chemical_formula_sum "Tb6 Al8 Fe4 P1"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space... |
InsertBetweenAtomsAction | f60e06e3-7a00-4be1-8133-aaeb70b6d306 | mp-24508 | Insert a Ni atom in the line between atoms at indices 27 and 29, and the inserted atom must be 2.43 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Zr4H12N4F16
_chemical_formula_sum "Zr4 H12 N4 F16"
_cell_length_a 6.146749
_cell_length_b 8.19149329
_cell_length_c 8.70000203
_cell_angle_alpha 106.9740498
_cell_angle_beta 103.99847975
_cell_angle_gamma 106.73398347
_space_group_... | data_image0
_chemical_formula_structural Zr4H12N4F16Ni
_chemical_formula_sum "Zr4 H12 N4 F16 Ni1"
_cell_length_a 6.146749
_cell_length_b 8.19149329
_cell_length_c 8.70000203
_cell_angle_alpha 106.9740498
_cell_angle_beta 103.99847975
_cell_angle_gamma 106.73398347
_space_... |
InsertBetweenAtomsAction | cc8aee10-c6f2-4555-be19-fe50874af47e | mp-769705 | Insert a La atom in the line between atoms at indices 27 and 18, and the inserted atom must be 2.90 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Cd4Co8O16
_chemical_formula_sum "Cd4 Co8 O16"
_cell_length_a 5.066793
_cell_length_b 5.90934957
_cell_length_c 11.010851280000002
_cell_angle_alpha 89.0754837
_cell_angle_beta 89.91991697
_cell_angle_gamma 89.28698270000001
_space_... | data_image0
_chemical_formula_structural Cd4Co8O16La
_chemical_formula_sum "Cd4 Co8 O16 La1"
_cell_length_a 5.066793
_cell_length_b 5.90934957
_cell_length_c 11.010851280000002
_cell_angle_alpha 89.0754837
_cell_angle_beta 89.91991697
_cell_angle_gamma 89.28698270000001
_... |
InsertBetweenAtomsAction | 216bfc0d-7b58-41ee-b1fe-7fb3edb7faf6 | mp-775461 | Insert a Rg atom in the line between atoms at indices 20 and 7, and the inserted atom must be 2.72 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Li8V12Fe4O32
_chemical_formula_sum "Li8 V12 Fe4 O32"
_cell_length_a 8.419902
_cell_length_b 8.419902
_cell_length_c 8.529101
_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 Li8V12Fe4O32Rg
_chemical_formula_sum "Li8 V12 Fe4 O32 Rg1"
_cell_length_a 8.419902
_cell_length_b 8.419902
_cell_length_c 8.529101
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | daf583fa-87ee-4822-ba02-02a872e6e39c | mp-1246907 | Insert a Nb atom in the line between atoms at indices 9 and 3, and the inserted atom must be 1.36 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Sr6Co4N8
_chemical_formula_sum "Sr6 Co4 N8"
_cell_length_a 7.06809409
_cell_length_b 8.63697807
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cell_angle_gamma 127.66064499000001
_space_g... | data_image0
_chemical_formula_structural Sr6Co4N8Nb
_chemical_formula_sum "Sr6 Co4 N8 Nb1"
_cell_length_a 7.06809409
_cell_length_b 8.63697807
_cell_length_c 5.5587382
_cell_angle_alpha 89.99999805
_cell_angle_beta 93.41871608999999
_cell_angle_gamma 127.66064499000001
_s... |
InsertBetweenAtomsAction | 7c491e34-6515-4207-94ff-e28e7aebf108 | mp-28481 | Insert a Ra atom in the line between atoms at indices 11 and 34, and the inserted atom must be 4.33 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ti2Cl8O32
_chemical_formula_sum "Ti2 Cl8 O32"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group_name_... | data_image0
_chemical_formula_structural Ti2Cl8O32Ra
_chemical_formula_sum "Ti2 Cl8 O32 Ra1"
_cell_length_a 7.36965456
_cell_length_b 7.36959662
_cell_length_c 12.98710817
_cell_angle_alpha 73.70079455
_cell_angle_beta 73.7011985
_cell_angle_gamma 64.01522777
_space_group... |
InsertBetweenAtomsAction | 7590c243-e99f-4141-b345-19ddf62c8096 | mp-2240397 | Insert a Mg atom in the line between atoms at indices 2 and 0, and the inserted atom must be 1.80 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural MgCd2Bi2O6
_chemical_formula_sum "Mg1 Cd2 Bi2 O6"
_cell_length_a 5.56458951
_cell_length_b 7.0200275
_cell_length_c 5.771075549999999
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_cell_angle_gamma 114.96516471
... | data_image0
_chemical_formula_structural MgCd2Bi2O6Mg
_chemical_formula_sum "Mg2 Cd2 Bi2 O6"
_cell_length_a 5.56458951
_cell_length_b 7.0200275
_cell_length_c 5.771075549999999
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_cell_angle_gamma 114.96516471... |
InsertBetweenAtomsAction | 53d93384-353c-45be-81c8-3bdb72ef99de | mp-1031722 | Insert a Rg atom in the line between atoms at indices 6 and 4, and the inserted atom must be 0.52 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mg6CoBiO8
_chemical_formula_sum "Mg6 Co1 Bi1 O8"
_cell_length_a 8.95011624
_cell_length_b 4.47292553
_cell_length_c 4.47292553
_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 Mg6CoBiO8Rg
_chemical_formula_sum "Mg6 Co1 Bi1 O8 Rg1"
_cell_length_a 8.95011624
_cell_length_b 4.47292553
_cell_length_c 4.47292553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 7fc38033-6f54-43f9-b82b-a3d1fba4e4b3 | mp-734012 | Insert a Mg atom in the line between atoms at indices 50 and 69, and the inserted atom must be 0.76 angstrom from atom at 50 in the cif file. | data_image0
_chemical_formula_structural K8Lu4Si16O44
_chemical_formula_sum "K8 Lu4 Si16 O44"
_cell_length_a 8.625046
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K8Lu4Si16O44Mg
_chemical_formula_sum "K8 Lu4 Si16 O44 Mg1"
_cell_length_a 8.625046
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | e5698abd-b7ec-4e5a-aa30-85e387f96205 | mp-1192907 | Insert a S atom in the line between atoms at indices 25 and 21, and the inserted atom must be 1.02 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Cr6P4O16
_chemical_formula_sum "Cr6 P4 O16"
_cell_length_a 4.83687353
_cell_length_b 7.999447349999999
_cell_length_c 10.782286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.04748126999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cr6P4O16S
_chemical_formula_sum "Cr6 P4 O16 S1"
_cell_length_a 4.83687353
_cell_length_b 7.999447349999999
_cell_length_c 10.782286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.04748126999999
_space_group_name_... |
InsertBetweenAtomsAction | ec0fef52-fffa-4efc-aa81-21150223d8c7 | mp-753597 | Insert a Hf atom in the line between atoms at indices 14 and 9, and the inserted atom must be 4.61 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Li4V2F12
_chemical_formula_sum "Li4 V2 F12"
_cell_length_a 5.230218
_cell_length_b 5.200055
_cell_length_c 9.21503242
_cell_angle_alpha 55.9918828
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Li4V2F12Hf
_chemical_formula_sum "Li4 V2 F12 Hf1"
_cell_length_a 5.230218
_cell_length_b 5.200055
_cell_length_c 9.21503242
_cell_angle_alpha 55.9918828
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | ef8f0dd0-aab1-4e0d-bb60-be5df0303dce | mp-1209813 | Insert a Os atom in the line between atoms at indices 9 and 7, and the inserted atom must be 4.81 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Sm6Sn26Ru8
_chemical_formula_sum "Sm6 Sn26 Ru8"
_cell_length_a 9.74528079
_cell_length_b 9.745272429999998
_cell_length_c 9.74526234
_cell_angle_alpha 89.99968874999999
_cell_angle_beta 90.00098056
_cell_angle_gamma 90.00031337
_sp... | data_image0
_chemical_formula_structural Sm6Sn26Ru8Os
_chemical_formula_sum "Sm6 Sn26 Ru8 Os1"
_cell_length_a 9.74528079
_cell_length_b 9.745272429999998
_cell_length_c 9.74526234
_cell_angle_alpha 89.99968874999999
_cell_angle_beta 90.00098056
_cell_angle_gamma 90.0003133... |
InsertBetweenAtomsAction | b5129447-4261-4239-ac97-05efd8dad57b | mp-7152 | Insert a H atom in the line between atoms at indices 10 and 0, and the inserted atom must be 4.03 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6
_chemical_formula_sum "Cs2 Zr2 Cu2 Se6"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6H
_chemical_formula_sum "Cs2 Zr2 Cu2 Se6 H1"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 8448c8e3-c9af-4f80-900a-b597e3403df3 | mp-559593 | Insert a Al atom in the line between atoms at indices 13 and 25, and the inserted atom must be 2.02 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural P3S9N15F6
_chemical_formula_sum "P3 S9 N15 F6"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470631999... | data_image0
_chemical_formula_structural P3S9N15F6Al
_chemical_formula_sum "P3 S9 N15 F6 Al1"
_cell_length_a 11.52852389
_cell_length_b 11.52852389
_cell_length_c 11.528524
_cell_angle_alpha 117.55470366999998
_cell_angle_beta 117.55470366999998
_cell_angle_gamma 117.55470... |
InsertBetweenAtomsAction | 09434183-592f-4814-a502-d5f1c1ca084d | mp-1245382 | Insert a Ds atom in the line between atoms at indices 12 and 51, and the inserted atom must be 0.82 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ca28V4N24
_chemical_formula_sum "Ca28 V4 N24"
_cell_length_a 11.1350611
_cell_length_b 6.32763812
_cell_length_c 12.92723831
_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 Ca28V4N24Ds
_chemical_formula_sum "Ca28 V4 N24 Ds1"
_cell_length_a 11.1350611
_cell_length_b 6.32763812
_cell_length_c 12.92723831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 4def2759-a767-4894-863d-828173e78174 | mp-1039781 | Insert a Ho atom in the line between atoms at indices 57 and 60, and the inserted atom must be 1.76 angstrom from atom at 57 in the cif file. | data_image0
_chemical_formula_structural NaMg30WO32
_chemical_formula_sum "Na1 Mg30 W1 O32"
_cell_length_a 8.565666
_cell_length_b 8.565666
_cell_length_c 8.56018
_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 NaMg30WO32Ho
_chemical_formula_sum "Na1 Mg30 W1 O32 Ho1"
_cell_length_a 8.565666
_cell_length_b 8.565666
_cell_length_c 8.56018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 1f1992a1-4458-42ef-bdf0-cc82af4a1886 | mp-1182886 | Insert a Li atom in the line between atoms at indices 16 and 12, and the inserted atom must be 3.39 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Al8O24
_chemical_formula_sum "Al8 O24"
_cell_length_a 5.430238
_cell_length_b 8.937896
_cell_length_c 12.15981255
_cell_angle_alpha 49.744131579999994
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al8O24Li
_chemical_formula_sum "Al8 O24 Li1"
_cell_length_a 5.430238
_cell_length_b 8.937896
_cell_length_c 12.15981255
_cell_angle_alpha 49.744131579999994
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 2b65229e-962d-4689-9e25-1cc67ff4ba1c | mp-1194089 | Insert a Tl atom in the line between atoms at indices 17 and 22, and the inserted atom must be 1.33 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural CaMn28
_chemical_formula_sum "Ca1 Mn28"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural CaMn28Tl
_chemical_formula_sum "Ca1 Mn28 Tl1"
_cell_length_a 7.5882341
_cell_length_b 7.5882341
_cell_length_c 7.5882341
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_name_... |
InsertBetweenAtomsAction | a1ff71bd-f89e-4392-9408-5041b4ab61b2 | mp-774656 | Insert a Rg atom in the line between atoms at indices 18 and 12, and the inserted atom must be 3.39 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Li5Ti6FeO16
_chemical_formula_sum "Li5 Ti6 Fe1 O16"
_cell_length_a 5.9718
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li5Ti6FeO16Rg
_chemical_formula_sum "Li5 Ti6 Fe1 O16 Rg1"
_cell_length_a 5.9718
_cell_length_b 5.956294
_cell_length_c 8.45482215
_cell_angle_alpha 89.67128089000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 03832e9e-d97f-417d-9e7a-f2ee7205e2bb | mp-1204504 | Insert a Ru atom in the line between atoms at indices 26 and 9, and the inserted atom must be 3.58 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural U4C8O24
_chemical_formula_sum "U4 C8 O24"
_cell_length_a 7.67082925
_cell_length_b 7.67082925
_cell_length_c 11.03963365
_cell_angle_alpha 83.57937007
_cell_angle_beta 83.57937007
_cell_angle_gamma 65.36059009
_space_group_name_H-M... | data_image0
_chemical_formula_structural U4C8O24Ru
_chemical_formula_sum "U4 C8 O24 Ru1"
_cell_length_a 7.67082925
_cell_length_b 7.67082925
_cell_length_c 11.03963365
_cell_angle_alpha 83.57937007
_cell_angle_beta 83.57937007
_cell_angle_gamma 65.36059009
_space_group_na... |
InsertBetweenAtomsAction | 8fb3a1f4-fb5a-4bbc-bc3d-140245537644 | mp-1204422 | Insert a At atom in the line between atoms at indices 82 and 90, and the inserted atom must be 1.10 angstrom from atom at 82 in the cif file. | data_image0
_chemical_formula_structural Mg4P8H40N8O32
_chemical_formula_sum "Mg4 P8 H40 N8 O32"
_cell_length_a 10.578873
_cell_length_b 6.494162
_cell_length_c 12.908394680000002
_cell_angle_alpha 75.91570025
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Mg4P8H40N8O32At
_chemical_formula_sum "Mg4 P8 H40 N8 O32 At1"
_cell_length_a 10.578873
_cell_length_b 6.494162
_cell_length_c 12.908394680000002
_cell_angle_alpha 75.91570025
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
InsertBetweenAtomsAction | 7e4c1e42-3f4c-451a-8de3-be1e292a3741 | mp-1196023 | Insert a Rf atom in the line between atoms at indices 23 and 22, and the inserted atom must be 1.19 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Sc6Ni22Ge8
_chemical_formula_sum "Sc6 Ni22 Ge8"
_cell_length_a 8.07399297
_cell_length_b 8.07399297
_cell_length_c 8.429277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99718918
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Sc6Ni22Ge8Rf
_chemical_formula_sum "Sc6 Ni22 Ge8 Rf1"
_cell_length_a 8.07399297
_cell_length_b 8.07399297
_cell_length_c 8.429277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99718918
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 483263c8-2fe3-4d05-a5f8-02f749f4623d | mp-1022621 | Insert a I atom in the line between atoms at indices 9 and 13, and the inserted atom must be 1.73 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Mg12Zn2Cu2
_chemical_formula_sum "Mg12 Zn2 Cu2"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_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 Mg12Zn2Cu2I
_chemical_formula_sum "Mg12 Zn2 Cu2 I1"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_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 | 28f8b843-eb52-4664-92d9-7cf19c15c1bd | mp-1188333 | Insert a Fe atom in the line between atoms at indices 1 and 3, and the inserted atom must be 2.85 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Y4Co14
_chemical_formula_sum "Y4 Co14"
_cell_length_a 12.37499034
_cell_length_b 12.37499034
_cell_length_c 12.374990559999999
_cell_angle_alpha 23.14047980999999
_cell_angle_beta 23.14047980999996
_cell_angle_gamma 23.1404838999999... | data_image0
_chemical_formula_structural Y4Co14Fe
_chemical_formula_sum "Y4 Co14 Fe1"
_cell_length_a 12.37499034
_cell_length_b 12.37499034
_cell_length_c 12.374990559999999
_cell_angle_alpha 23.14047980999999
_cell_angle_beta 23.14047980999996
_cell_angle_gamma 23.1404838... |
InsertBetweenAtomsAction | faa612e1-f248-4563-a9b5-35bb6232331e | mp-567194 | Insert a Os atom in the line between atoms at indices 39 and 61, and the inserted atom must be 3.60 angstrom from atom at 39 in the cif file. | data_image0
_chemical_formula_structural Mn8Nb36Ge32
_chemical_formula_sum "Mn8 Nb36 Ge32"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_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 Mn8Nb36Ge32Os
_chemical_formula_sum "Mn8 Nb36 Ge32 Os1"
_cell_length_a 5.336457
_cell_length_b 14.002561
_cell_length_c 16.848987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 109e5564-deee-4e01-968d-0089bf9eee1e | mp-1073481 | Insert a Pb atom in the line between atoms at indices 5 and 1, and the inserted atom must be 10.21 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mg4Si8
_chemical_formula_sum "Mg4 Si8"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
_space... | data_image0
_chemical_formula_structural Mg4Si8Pb
_chemical_formula_sum "Mg4 Si8 Pb1"
_cell_length_a 5.22863097
_cell_length_b 5.22863097
_cell_length_c 12.24682311
_cell_angle_alpha 72.82107982000001
_cell_angle_beta 72.82107982000001
_cell_angle_gamma 39.74553267999999
... |
InsertBetweenAtomsAction | 169f1325-f4ce-481a-b679-f967894218aa | mp-10299 | Insert a Ne atom in the line between atoms at indices 19 and 16, and the inserted atom must be 3.50 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Ca8Pd2O12
_chemical_formula_sum "Ca8 Pd2 O12"
_cell_length_a 6.54188412
_cell_length_b 6.54188412
_cell_length_c 6.541883799999999
_cell_angle_alpha 90.60076817
_cell_angle_beta 90.60076817
_cell_angle_gamma 90.60077995999998
_spac... | data_image0
_chemical_formula_structural Ca8Pd2O12Ne
_chemical_formula_sum "Ca8 Pd2 O12 Ne1"
_cell_length_a 6.54188412
_cell_length_b 6.54188412
_cell_length_c 6.541883799999999
_cell_angle_alpha 90.60076817
_cell_angle_beta 90.60076817
_cell_angle_gamma 90.60077995999998
... |
InsertBetweenAtomsAction | 74814c80-4217-4b51-be81-d60e80c7a92a | mp-30447 | Insert a Y atom in the line between atoms at indices 24 and 17, and the inserted atom must be 4.25 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr18Cd8Bi18Y
_chemical_formula_sum "Sr18 Cd8 Bi18 Y1"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_s... |
InsertBetweenAtomsAction | 8527857c-2ee9-4e8e-badd-df8885a9b20b | mp-978968 | Insert a Yb atom in the line between atoms at indices 5 and 6, and the inserted atom must be 1.65 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ti6O4
_chemical_formula_sum "Ti6 O4"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space_group... | data_image0
_chemical_formula_structural Ti6O4Yb
_chemical_formula_sum "Ti6 O4 Yb1"
_cell_length_a 5.10178254
_cell_length_b 5.10248261
_cell_length_c 5.763470289999999
_cell_angle_alpha 116.26941068999999
_cell_angle_beta 63.72712982
_cell_angle_gamma 119.99390627
_space... |
InsertBetweenAtomsAction | 16ffe5c1-f559-4046-b6ea-b6eae759546a | mp-627591 | Insert a Hg atom in the line between atoms at indices 15 and 17, and the inserted atom must be 2.26 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Fe8Si4S16Hg
_chemical_formula_sum "Fe8 Si4 S16 Hg1"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | ef23de15-7160-42d1-a8ad-64033ed7501e | mp-731799 | Insert a Cr atom in the line between atoms at indices 29 and 58, and the inserted atom must be 1.93 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Mg12C6Cl6O36
_chemical_formula_sum "Mg12 C6 Cl6 O36"
_cell_length_a 7.518464
_cell_length_b 13.36744087
_cell_length_c 13.44225658
_cell_angle_alpha 116.23411858999998
_cell_angle_beta 100.70271424
_cell_angle_gamma 100.870698739999... | data_image0
_chemical_formula_structural Mg12C6Cl6O36Cr
_chemical_formula_sum "Mg12 C6 Cl6 O36 Cr1"
_cell_length_a 7.518464
_cell_length_b 13.36744087
_cell_length_c 13.44225658
_cell_angle_alpha 116.23411858999998
_cell_angle_beta 100.70271424
_cell_angle_gamma 100.870698... |
InsertBetweenAtomsAction | 67e5f430-4926-4e64-9c66-199af94d75f5 | mp-849991 | Insert a Pa atom in the line between atoms at indices 58 and 24, and the inserted atom must be 6.09 angstrom from atom at 58 in the cif file. | data_image0
_chemical_formula_structural Li24Fe12F48
_chemical_formula_sum "Li24 Fe12 F48"
_cell_length_a 7.492188
_cell_length_b 8.78959
_cell_length_c 17.86894667
_cell_angle_alpha 60.89034093
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li24Fe12F48Pa
_chemical_formula_sum "Li24 Fe12 F48 Pa1"
_cell_length_a 7.492188
_cell_length_b 8.78959
_cell_length_c 17.86894667
_cell_angle_alpha 60.89034093
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 7e13bc7f-02fa-4eca-8ccf-f0165c993b29 | mp-551407 | Insert a Lu atom in the line between atoms at indices 0 and 1, and the inserted atom must be 2.13 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Co2Se2O8
_chemical_formula_sum "Co2 Se2 O8"
_cell_length_a 4.89393738
_cell_length_b 4.89395285
_cell_length_c 6.5247723
_cell_angle_alpha 90.00732374000002
_cell_angle_beta 90.00334287
_cell_angle_gamma 112.29997095
_space_group_n... | data_image0
_chemical_formula_structural Co2Se2O8Lu
_chemical_formula_sum "Co2 Se2 O8 Lu1"
_cell_length_a 4.89393738
_cell_length_b 4.89395285
_cell_length_c 6.5247723
_cell_angle_alpha 90.00732374000002
_cell_angle_beta 90.00334287
_cell_angle_gamma 112.29997095
_space_g... |
InsertBetweenAtomsAction | b8759e69-e18a-471d-9623-8ab0979c22f3 | mp-2526683 | Insert a Db atom in the line between atoms at indices 4 and 7, and the inserted atom must be 1.35 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... | data_image0
_chemical_formula_structural W7O21Db
_chemical_formula_sum "W7 O21 Db1"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_gr... |
InsertBetweenAtomsAction | 030111d6-9713-4865-afdc-af478251f2e6 | mp-757606 | Insert a Sr atom in the line between atoms at indices 24 and 25, and the inserted atom must be 3.33 angstrom from atom at 24 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 Li4Ni4P4O16Sr
_chemical_formula_sum "Li4 Ni4 P4 O16 Sr1"
_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 | 1e9bf32b-aed9-418d-bad8-909134c637ba | mp-1229206 | Insert a Sr atom in the line between atoms at indices 58 and 17, and the inserted atom must be 6.04 angstrom from atom at 58 in the cif file. | data_image0
_chemical_formula_structural BaCaFe24O38
_chemical_formula_sum "Ba1 Ca1 Fe24 O38"
_cell_length_a 6.00964236
_cell_length_b 6.009527
_cell_length_c 23.330949
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.00011525
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural BaCaFe24O38Sr
_chemical_formula_sum "Ba1 Ca1 Fe24 O38 Sr1"
_cell_length_a 6.00964236
_cell_length_b 6.009527
_cell_length_c 23.330949
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.00011525
_space_group_name_H-M_... |
InsertBetweenAtomsAction | aa1ec708-f65b-46d4-a42b-e4a355161dbd | mp-568693 | Insert a Au atom in the line between atoms at indices 18 and 11, and the inserted atom must be 5.81 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Gd2Al18Ni6
_chemical_formula_sum "Gd2 Al18 Ni6"
_cell_length_a 10.01121256
_cell_length_b 10.01121256
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_angle_beta 42.44124238
_cell_angle_gamma 42.44124581000001
_space_... | data_image0
_chemical_formula_structural Gd2Al18Ni6Au
_chemical_formula_sum "Gd2 Al18 Ni6 Au1"
_cell_length_a 10.01121256
_cell_length_b 10.01121256
_cell_length_c 10.01121108
_cell_angle_alpha 42.44124238
_cell_angle_beta 42.44124238
_cell_angle_gamma 42.44124581000001
_... |
InsertBetweenAtomsAction | 8442681c-2eab-4b38-b446-a0b78ead4814 | mp-1516887 | Insert a Rf atom in the line between atoms at indices 9 and 2, and the inserted atom must be 2.51 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Eu2NiWO6
_chemical_formula_sum "Eu2 Ni1 W1 O6"
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Eu2NiWO6Rf
_chemical_formula_sum "Eu2 Ni1 W1 O6 Rf1"
_cell_length_a 5.64240589
_cell_length_b 5.64240589
_cell_length_c 5.64240589
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... |
InsertBetweenAtomsAction | d701d53c-0b9e-4e66-bb23-f1c4827ecb6c | mp-24473 | Insert a Cr atom in the line between atoms at indices 19 and 16, and the inserted atom must be 6.84 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_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 Be4P4H16N4O16Cr
_chemical_formula_sum "Be4 P4 H16 N4 O16 Cr1"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 1a1e8c52-5be3-4149-a551-3ac2327c39c9 | mp-1040902 | Insert a Nd atom in the line between atoms at indices 36 and 28, and the inserted atom must be 11.33 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Mg4Cr8P8O32
_chemical_formula_sum "Mg4 Cr8 P8 O32"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_space_... | data_image0
_chemical_formula_structural Mg4Cr8P8O32Nd
_chemical_formula_sum "Mg4 Cr8 P8 O32 Nd1"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_... |
InsertBetweenAtomsAction | 49e49b8c-2086-41f8-9cd5-5c67f3f156f1 | mp-1028063 | Insert a Dy atom in the line between atoms at indices 5 and 15, and the inserted atom must be 1.14 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mg14MnGa
_chemical_formula_sum "Mg14 Mn1 Ga1"
_cell_length_a 6.24922299
_cell_length_b 6.2492225
_cell_length_c 10.26103103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000262
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg14MnGaDy
_chemical_formula_sum "Mg14 Mn1 Ga1 Dy1"
_cell_length_a 6.24922299
_cell_length_b 6.2492225
_cell_length_c 10.26103103
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000262
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 3a53313a-ff40-4324-b7fc-f0b28f71fa7c | mp-1040902 | Insert a Nb atom in the line between atoms at indices 32 and 14, and the inserted atom must be 3.55 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Mg4Cr8P8O32
_chemical_formula_sum "Mg4 Cr8 P8 O32"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_space_... | data_image0
_chemical_formula_structural Mg4Cr8P8O32Nb
_chemical_formula_sum "Mg4 Cr8 P8 O32 Nb1"
_cell_length_a 9.2256249
_cell_length_b 9.2256249
_cell_length_c 16.48756714
_cell_angle_alpha 61.10839695
_cell_angle_beta 61.10839695
_cell_angle_gamma 31.811494750000012
_... |
InsertBetweenAtomsAction | baaa76a2-8e0e-4eeb-871f-75712d111670 | mp-1194492 | Insert a Ir atom in the line between atoms at indices 20 and 16, and the inserted atom must be 3.52 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Al4Te2S2O18
_chemical_formula_sum "Al4 Te2 S2 O18"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Al4Te2S2O18Ir
_chemical_formula_sum "Al4 Te2 S2 O18 Ir1"
_cell_length_a 9.533672
_cell_length_b 5.032037
_cell_length_c 7.23496088
_cell_angle_alpha 86.72028688999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 8751a76e-64b4-4c66-937e-bdfd599fb46e | mp-2228468 | Insert a Ba atom in the line between atoms at indices 11 and 0, and the inserted atom must be 1.31 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural K2MgFe4O7
_chemical_formula_sum "K2 Mg1 Fe4 O7"
_cell_length_a 5.23201274
_cell_length_b 5.24588937
_cell_length_c 8.378485240000002
_cell_angle_alpha 90.22688139999998
_cell_angle_beta 89.88624041
_cell_angle_gamma 120.087831429999... | data_image0
_chemical_formula_structural K2MgFe4O7Ba
_chemical_formula_sum "K2 Mg1 Fe4 O7 Ba1"
_cell_length_a 5.23201274
_cell_length_b 5.24588937
_cell_length_c 8.378485240000002
_cell_angle_alpha 90.22688139999998
_cell_angle_beta 89.88624041
_cell_angle_gamma 120.087831... |
InsertBetweenAtomsAction | 6e951242-af82-4dc0-8a5a-24a6f23ae76f | mp-28131 | Insert a F atom in the line between atoms at indices 14 and 26, and the inserted atom must be 0.69 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural C4Se16Br8
_chemical_formula_sum "C4 Se16 Br8"
_cell_length_a 4.37646079
_cell_length_b 8.5751867
_cell_length_c 21.39891138
_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 C4Se16Br8F
_chemical_formula_sum "C4 Se16 Br8 F1"
_cell_length_a 4.37646079
_cell_length_b 8.5751867
_cell_length_c 21.39891138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 94a71078-cd35-4fcc-91e4-84223255ddee | mp-674849 | Insert a Og atom in the line between atoms at indices 11 and 8, and the inserted atom must be 0.96 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Tl2Bi2F8
_chemical_formula_sum "Tl2 Bi2 F8"
_cell_length_a 3.70604173
_cell_length_b 8.34217287
_cell_length_c 6.30028742
_cell_angle_alpha 97.25011112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Tl2Bi2F8Og
_chemical_formula_sum "Tl2 Bi2 F8 Og1"
_cell_length_a 3.70604173
_cell_length_b 8.34217287
_cell_length_c 6.30028742
_cell_angle_alpha 97.25011112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 5eb6efd0-0df6-4d54-b4b1-d6f8bd2bb90b | mp-1225526 | Insert a At atom in the line between atoms at indices 3 and 9, and the inserted atom must be 5.24 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Eu4Ga8As8
_chemical_formula_sum "Eu4 Ga8 As8"
_cell_length_a 4.0458443
_cell_length_b 9.48302424
_cell_length_c 12.43216053
_cell_angle_alpha 95.17219509
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Eu4Ga8As8At
_chemical_formula_sum "Eu4 Ga8 As8 At1"
_cell_length_a 4.0458443
_cell_length_b 9.48302424
_cell_length_c 12.43216053
_cell_angle_alpha 95.17219509
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 25068e6a-1e8d-456f-a6e6-80834917635d | mp-1228691 | Insert a H atom in the line between atoms at indices 7 and 2, and the inserted atom must be 11.25 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Al4GaSb5
_chemical_formula_sum "Al4 Ga1 Sb5"
_cell_length_a 11.65411469
_cell_length_b 11.65411469
_cell_length_c 11.65411469
_cell_angle_alpha 158.18816389000003
_cell_angle_beta 149.02009783
_cell_angle_gamma 38.20925421
_space_g... | data_image0
_chemical_formula_structural Al4GaSb5H
_chemical_formula_sum "Al4 Ga1 Sb5 H1"
_cell_length_a 11.65411469
_cell_length_b 11.65411469
_cell_length_c 11.65411469
_cell_angle_alpha 158.18816389000003
_cell_angle_beta 149.02009783
_cell_angle_gamma 38.20925421
_spa... |
InsertBetweenAtomsAction | eba96ab6-7807-4a97-bb66-273c4739f2f4 | mp-1030107 | Insert a Sb atom in the line between atoms at indices 7 and 1, and the inserted atom must be 3.79 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Te6MoW3Se2
_chemical_formula_sum "Te6 Mo1 W3 Se2"
_cell_length_a 3.49799566
_cell_length_b 3.49799566
_cell_length_c 39.67632
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999347999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Te6MoW3Se2Sb
_chemical_formula_sum "Te6 Mo1 W3 Se2 Sb1"
_cell_length_a 3.49799566
_cell_length_b 3.49799566
_cell_length_c 39.67632
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999347999999
_space_group_name... |
InsertBetweenAtomsAction | 9c7a1b58-8c68-4c9f-8b6b-70b87c5708af | mp-1193261 | Insert a Sr atom in the line between atoms at indices 27 and 25, and the inserted atom must be 7.70 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Cs4H4C4N8O8
_chemical_formula_sum "Cs4 H4 C4 N8 O8"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cs4H4C4N8O8Sr
_chemical_formula_sum "Cs4 H4 C4 N8 O8 Sr1"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 906c9e60-3421-4617-9b71-5b9e4c080ec0 | mp-1195825 | Insert a Pa atom in the line between atoms at indices 32 and 11, and the inserted atom must be 2.04 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Si12Br24
_chemical_formula_sum "Si12 Br24"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996
_spa... | data_image0
_chemical_formula_structural Si12Br24Pa
_chemical_formula_sum "Si12 Br24 Pa1"
_cell_length_a 10.66445078
_cell_length_b 10.66445078
_cell_length_c 14.661101599999999
_cell_angle_alpha 72.55431714
_cell_angle_beta 72.55431714
_cell_angle_gamma 57.585469849999996... |
InsertBetweenAtomsAction | 616241d9-4223-4a74-8346-e578d0dc3e07 | mp-14485 | Insert a C atom in the line between atoms at indices 13 and 43, and the inserted atom must be 4.72 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural La2Ta14O38
_chemical_formula_sum "La2 Ta14 O38"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999999
_sp... | data_image0
_chemical_formula_structural La2Ta14O38C
_chemical_formula_sum "La2 Ta14 O38 C1"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999999
... |
InsertBetweenAtomsAction | d4608274-3a0f-4b87-ac2b-aa7347716876 | mp-771907 | Insert a U atom in the line between atoms at indices 5 and 24, and the inserted atom must be 1.94 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li4Mn5Sn3O16
_chemical_formula_sum "Li4 Mn5 Sn3 O16"
_cell_length_a 6.09524183
_cell_length_b 6.09524183
_cell_length_c 9.86586282
_cell_angle_alpha 89.44622145
_cell_angle_beta 89.44622145
_cell_angle_gamma 60.38381201
_space_grou... | data_image0
_chemical_formula_structural Li4Mn5Sn3O16U
_chemical_formula_sum "Li4 Mn5 Sn3 O16 U1"
_cell_length_a 6.09524183
_cell_length_b 6.09524183
_cell_length_c 9.86586282
_cell_angle_alpha 89.44622145
_cell_angle_beta 89.44622145
_cell_angle_gamma 60.38381201
_space_... |
InsertBetweenAtomsAction | ac62a029-69d1-4d8e-9de8-f061a3b05c15 | mp-768066 | Insert a Og atom in the line between atoms at indices 10 and 21, and the inserted atom must be 2.35 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li8Mn10Fe8O36
_chemical_formula_sum "Li8 Mn10 Fe8 O36"
_cell_length_a 2.909926
_cell_length_b 9.11755
_cell_length_c 24.90984087
_cell_angle_alpha 89.81857954
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Mn10Fe8O36Og
_chemical_formula_sum "Li8 Mn10 Fe8 O36 Og1"
_cell_length_a 2.909926
_cell_length_b 9.11755
_cell_length_c 24.90984087
_cell_angle_alpha 89.81857954
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | 70192630-acfa-4014-bc01-8448f93b0c3d | mp-1227514 | Insert a Ta atom in the line between atoms at indices 10 and 12, and the inserted atom must be 1.42 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14Ta
_chemical_formula_sum "Ca4 Ga4 Ge2 O14 Ta1"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 9209a3ca-1ca2-40aa-9535-b576d75f5f9b | mp-1195695 | Insert a Tl atom in the line between atoms at indices 2 and 31, and the inserted atom must be 5.71 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural H24C8I2N2O4F4
_chemical_formula_sum "H24 C8 I2 N2 O4 F4"
_cell_length_a 9.5067812
_cell_length_b 9.506781199999999
_cell_length_c 5.63556707
_cell_angle_alpha 88.75665673999998
_cell_angle_beta 88.75665673999998
_cell_angle_gamma 10... | data_image0
_chemical_formula_structural H24C8I2N2O4F4Tl
_chemical_formula_sum "H24 C8 I2 N2 O4 F4 Tl1"
_cell_length_a 9.5067812
_cell_length_b 9.506781199999999
_cell_length_c 5.63556707
_cell_angle_alpha 88.75665673999998
_cell_angle_beta 88.75665673999998
_cell_angle_gamma... |
InsertBetweenAtomsAction | 8f8b358d-323e-49bb-a20f-af598c2fc925 | mp-1217523 | Insert a Lv atom in the line between atoms at indices 5 and 6, and the inserted atom must be 0.89 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural TbIn7Cu5
_chemical_formula_sum "Tb1 In7 Cu5"
_cell_length_a 7.26591118
_cell_length_b 7.265911180000001
_cell_length_c 7.26591118
_cell_angle_alpha 134.31993762
_cell_angle_beta 98.72351159
_cell_angle_gamma 98.60776085
_space_grou... | data_image0
_chemical_formula_structural TbIn7Cu5Lv
_chemical_formula_sum "Tb1 In7 Cu5 Lv1"
_cell_length_a 7.26591118
_cell_length_b 7.265911180000001
_cell_length_c 7.26591118
_cell_angle_alpha 134.31993762
_cell_angle_beta 98.72351159
_cell_angle_gamma 98.60776085
_spac... |
InsertBetweenAtomsAction | 7c176910-940b-4de4-949a-d1a44f6cb54d | mp-22106 | Insert a U atom in the line between atoms at indices 2 and 18, and the inserted atom must be 2.34 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Nd4Ni4O12
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Nd4Ni4O12U
_chemical_formula_sum "Nd4 Ni4 O12 U1"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
InsertBetweenAtomsAction | 655b1d32-06b8-4552-a6e1-adad47747de6 | mp-755550 | Insert a N atom in the line between atoms at indices 8 and 0, and the inserted atom must be 4.19 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li4Cr2Fe2O8
_chemical_formula_sum "Li4 Cr2 Fe2 O8"
_cell_length_a 5.153227
_cell_length_b 5.17358829
_cell_length_c 5.95031247
_cell_angle_alpha 106.75159283
_cell_angle_beta 89.97635108000001
_cell_angle_gamma 99.57876288
_space_g... | data_image0
_chemical_formula_structural Li4Cr2Fe2O8N
_chemical_formula_sum "Li4 Cr2 Fe2 O8 N1"
_cell_length_a 5.153227
_cell_length_b 5.17358829
_cell_length_c 5.95031247
_cell_angle_alpha 106.75159283
_cell_angle_beta 89.97635108000001
_cell_angle_gamma 99.57876288
_spa... |
InsertBetweenAtomsAction | 6efd03a4-7f8e-4e45-a5f9-e7b395dfde09 | mp-1198511 | Insert a Sm atom in the line between atoms at indices 4 and 23, and the inserted atom must be 0.86 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Tb6Co8Ge26
_chemical_formula_sum "Tb6 Co8 Ge26"
_cell_length_a 8.781663
_cell_length_b 8.781663
_cell_length_c 8.781663
_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 Tb6Co8Ge26Sm
_chemical_formula_sum "Tb6 Co8 Ge26 Sm1"
_cell_length_a 8.781663
_cell_length_b 8.781663
_cell_length_c 8.781663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
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