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 | 8f302b2d-f64f-43ff-8dbb-69ec24e543d7 | mp-1199395 | Insert a Bk atom in the line between atoms at indices 30 and 15, and the inserted atom must be 2.82 angstrom from atom at 30 in the cif file. | data_image0
_chemical_formula_structural Zr4O12F20
_chemical_formula_sum "Zr4 O12 F20"
_cell_length_a 16.97047429
_cell_length_b 16.53675226
_cell_length_c 6.08330734
_cell_angle_alpha 83.58662603000002
_cell_angle_beta 75.54508631
_cell_angle_gamma 20.868287659999996
_sp... | data_image0
_chemical_formula_structural Zr4O12F20Bk
_chemical_formula_sum "Zr4 O12 F20 Bk1"
_cell_length_a 16.97047429
_cell_length_b 16.53675226
_cell_length_c 6.08330734
_cell_angle_alpha 83.58662603000002
_cell_angle_beta 75.54508631
_cell_angle_gamma 20.86828765999999... |
InsertBetweenAtomsAction | 2f6e15c4-65f2-4f95-9fb1-f82503e09b1d | mp-33546 | Insert a Ta atom in the line between atoms at indices 10 and 13, and the inserted atom must be 2.75 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Fe4Cu2O8
_chemical_formula_sum "Fe4 Cu2 O8"
_cell_length_a 6.05119866
_cell_length_b 6.05119736
_cell_length_c 5.97388687
_cell_angle_alpha 119.89748608
_cell_angle_beta 119.89749192
_cell_angle_gamma 90.54960672999998
_space_group... | data_image0
_chemical_formula_structural Fe4Cu2O8Ta
_chemical_formula_sum "Fe4 Cu2 O8 Ta1"
_cell_length_a 6.05119866
_cell_length_b 6.05119736
_cell_length_c 5.97388687
_cell_angle_alpha 119.89748608
_cell_angle_beta 119.89749192
_cell_angle_gamma 90.54960672999998
_space... |
InsertBetweenAtomsAction | 52c12f5e-081b-4a78-a5d8-51a25a3ba6c5 | mp-757949 | Insert a Ru atom in the line between atoms at indices 26 and 21, and the inserted atom must be 0.58 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Li4Fe8C8O28
_chemical_formula_sum "Li4 Fe8 C8 O28"
_cell_length_a 5.989784
_cell_length_b 9.33102
_cell_length_c 10.445336550000002
_cell_angle_alpha 64.01902233999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Li4Fe8C8O28Ru
_chemical_formula_sum "Li4 Fe8 C8 O28 Ru1"
_cell_length_a 5.989784
_cell_length_b 9.33102
_cell_length_c 10.445336550000002
_cell_angle_alpha 64.01902233999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
InsertBetweenAtomsAction | 85917abe-348d-4495-9897-9a8a79d84ef7 | mp-2231666 | Insert a O atom in the line between atoms at indices 3 and 6, and the inserted atom must be 4.78 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural MgTiMnV4O12
_chemical_formula_sum "Mg1 Ti1 Mn1 V4 O12"
_cell_length_a 7.20376509
_cell_length_b 7.20367883
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle_beta 100.57141359
_cell_angle_gamma 99.07126477999999
_s... | data_image0
_chemical_formula_structural MgTiMnV4O13
_chemical_formula_sum "Mg1 Ti1 Mn1 V4 O13"
_cell_length_a 7.20376509
_cell_length_b 7.20367883
_cell_length_c 5.62995181
_cell_angle_alpha 79.42523223
_cell_angle_beta 100.57141359
_cell_angle_gamma 99.07126477999999
_s... |
InsertBetweenAtomsAction | c1b8c08b-04af-423c-a849-9ba4828124f7 | mp-756079 | Insert a S atom in the line between atoms at indices 3 and 4, and the inserted atom must be 1.61 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li4Mn2F12
_chemical_formula_sum "Li4 Mn2 F12"
_cell_length_a 5.04291432
_cell_length_b 5.04291432
_cell_length_c 9.003661
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000417
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Li4Mn2F12S
_chemical_formula_sum "Li4 Mn2 F12 S1"
_cell_length_a 5.04291432
_cell_length_b 5.04291432
_cell_length_c 9.003661
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000417
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 0106b6eb-a778-4508-a45c-3a352bb2892c | mp-1208402 | Insert a Ca atom in the line between atoms at indices 1 and 7, and the inserted atom must be 9.26 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural U2Pb2I12
_chemical_formula_sum "U2 Pb2 I12"
_cell_length_a 7.62870236
_cell_length_b 7.646974490000001
_cell_length_c 14.14774958
_cell_angle_alpha 90.02645336999998
_cell_angle_beta 89.93478277000001
_cell_angle_gamma 119.888295969... | data_image0
_chemical_formula_structural U2Pb2I12Ca
_chemical_formula_sum "U2 Pb2 I12 Ca1"
_cell_length_a 7.62870236
_cell_length_b 7.646974490000001
_cell_length_c 14.14774958
_cell_angle_alpha 90.02645336999998
_cell_angle_beta 89.93478277000001
_cell_angle_gamma 119.888... |
InsertBetweenAtomsAction | e5d23dcc-5029-449d-afee-c2640d1dd90a | mp-13211 | Insert a Bh atom in the line between atoms at indices 3 and 21, and the inserted atom must be 1.04 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural Ag4Te4O14Bh
_chemical_formula_sum "Ag4 Te4 O14 Bh1"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001... |
InsertBetweenAtomsAction | 68ec5850-38f3-4209-872d-39891197ef98 | mp-29226 | Insert a La atom in the line between atoms at indices 40 and 11, and the inserted atom must be 4.23 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Ca9Ga12O27
_chemical_formula_sum "Ca9 Ga12 O27"
_cell_length_a 11.05868684
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.92564392000001
_space_group_na... | data_image0
_chemical_formula_structural Ca9Ga12O27La
_chemical_formula_sum "Ca9 Ga12 O27 La1"
_cell_length_a 11.05868684
_cell_length_b 11.058686840000002
_cell_length_c 5.32453866
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.92564392000001
_space_gr... |
InsertBetweenAtomsAction | 4dfefd69-3fdd-4ce3-87fa-0112e277f018 | mp-15659 | Insert a Pt atom in the line between atoms at indices 5 and 3, and the inserted atom must be 3.14 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Sb4Pt6
_chemical_formula_sum "Sb4 Pt6"
_cell_length_a 5.34933934
_cell_length_b 6.54087588
_cell_length_c 6.94585597
_cell_angle_alpha 118.09182981
_cell_angle_beta 112.67539311
_cell_angle_gamma 89.99638829
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Sb4Pt7
_chemical_formula_sum "Sb4 Pt7"
_cell_length_a 5.34933934
_cell_length_b 6.54087588
_cell_length_c 6.94585597
_cell_angle_alpha 118.09182981
_cell_angle_beta 112.67539311
_cell_angle_gamma 89.99638829
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | eba6ec25-54b6-49b6-ba5d-610da87397d5 | mp-1079634 | Insert a Ge atom in the line between atoms at indices 0 and 3, and the inserted atom must be 0.86 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Tb4Sn2Au4Ge
_chemical_formula_sum "Tb4 Sn2 Au4 Ge1"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-... |
InsertBetweenAtomsAction | 69bf3e1a-a3af-4979-bb12-8219f6d5f078 | mp-1235023 | Insert a Am atom in the line between atoms at indices 5 and 4, and the inserted atom must be 0.44 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural LiZn2Fe4O8
_chemical_formula_sum "Li1 Zn2 Fe4 O8"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703329999... | data_image0
_chemical_formula_structural LiZn2Fe4O8Am
_chemical_formula_sum "Li1 Zn2 Fe4 O8 Am1"
_cell_length_a 6.1557658
_cell_length_b 6.155765599999999
_cell_length_c 5.91697548
_cell_angle_alpha 61.27510906
_cell_angle_beta 61.27511007999999
_cell_angle_gamma 57.266703... |
InsertBetweenAtomsAction | ce29ae46-6dc7-4c92-b336-8a514f5424c3 | mp-2230736 | Insert a W atom in the line between atoms at indices 18 and 3, and the inserted atom must be 1.27 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Rb4MgV4O10
_chemical_formula_sum "Rb4 Mg1 V4 O10"
_cell_length_a 5.80427581
_cell_length_b 6.1005774
_cell_length_c 9.68276942
_cell_angle_alpha 107.24471817000001
_cell_angle_beta 107.54993829
_cell_angle_gamma 89.23265963000001
_... | data_image0
_chemical_formula_structural Rb4MgV4O10W
_chemical_formula_sum "Rb4 Mg1 V4 O10 W1"
_cell_length_a 5.80427581
_cell_length_b 6.1005774
_cell_length_c 9.68276942
_cell_angle_alpha 107.24471817000001
_cell_angle_beta 107.54993829
_cell_angle_gamma 89.2326596300000... |
InsertBetweenAtomsAction | 0138ff47-d1e0-4705-ac6f-4418f65fb1d4 | mp-1194859 | Insert a Rf atom in the line between atoms at indices 16 and 25, and the inserted atom must be 4.38 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Al4V4Te8O32
_chemical_formula_sum "Al4 V4 Te8 O32"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Al4V4Te8O32Rf
_chemical_formula_sum "Al4 V4 Te8 O32 Rf1"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 6716ce8f-c47f-4262-a1db-546e16ca2318 | mp-1112917 | Insert a Ta atom in the line between atoms at indices 3 and 9, and the inserted atom must be 0.46 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Cs2ErCuCl6
_chemical_formula_sum "Cs2 Er1 Cu1 Cl6"
_cell_length_a 7.42327063
_cell_length_b 7.42327063
_cell_length_c 7.42327063
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Cs2ErCuCl6Ta
_chemical_formula_sum "Cs2 Er1 Cu1 Cl6 Ta1"
_cell_length_a 7.42327063
_cell_length_b 7.42327063
_cell_length_c 7.42327063
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
InsertBetweenAtomsAction | 05b7e041-881c-4bfb-bd16-7cd0b5e954d3 | mp-754544 | Insert a Br atom in the line between atoms at indices 7 and 27, and the inserted atom must be 5.22 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural K12V4P4C4O28
_chemical_formula_sum "K12 V4 P4 C4 O28"
_cell_length_a 5.69644773
_cell_length_b 9.673654089999998
_cell_length_c 13.990668999999999
_cell_angle_alpha 89.99900283
_cell_angle_beta 90.00185964
_cell_angle_gamma 89.95474... | data_image0
_chemical_formula_structural K12V4P4C4O28Br
_chemical_formula_sum "K12 V4 P4 C4 O28 Br1"
_cell_length_a 5.69644773
_cell_length_b 9.673654089999998
_cell_length_c 13.990668999999999
_cell_angle_alpha 89.99900283
_cell_angle_beta 90.00185964
_cell_angle_gamma 89... |
InsertBetweenAtomsAction | 2cc84527-c870-4f2c-8070-248bf2a3c465 | mp-2217356 | Insert a Bk atom in the line between atoms at indices 8 and 9, and the inserted atom must be 1.46 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ba2YMgBiO6
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99561646... | data_image0
_chemical_formula_structural Ba2YMgBiO6Bk
_chemical_formula_sum "Ba2 Y1 Mg1 Bi1 O6 Bk1"
_cell_length_a 6.33993301
_cell_length_b 6.339093429999999
_cell_length_c 7.05925237
_cell_angle_alpha 63.47899969000001
_cell_angle_beta 63.31715937
_cell_angle_gamma 59.99... |
InsertBetweenAtomsAction | 196c3164-8966-4576-9c2d-380a56985041 | mp-989179 | Insert a Es atom in the line between atoms at indices 14 and 9, and the inserted atom must be 9.71 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Mo8H2S16
_chemical_formula_sum "Mo8 H2 S16"
_cell_length_a 3.144754
_cell_length_b 13.034438
_cell_length_c 29.668735
_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 Mo8H2S16Es
_chemical_formula_sum "Mo8 H2 S16 Es1"
_cell_length_a 3.144754
_cell_length_b 13.034438
_cell_length_c 29.668735
_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 | c6d7173e-6876-4e18-8d82-54dfd1053efb | mp-558525 | Insert a Pa atom in the line between atoms at indices 22 and 9, and the inserted atom must be 0.90 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural V16Fe8O52
_chemical_formula_sum "V16 Fe8 O52"
_cell_length_a 9.41919459
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural V16Fe8O52Pa
_chemical_formula_sum "V16 Fe8 O52 Pa1"
_cell_length_a 9.41919459
_cell_length_b 8.30020151
_cell_length_c 14.565163260000002
_cell_angle_alpha 77.84105643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
InsertBetweenAtomsAction | c52c1964-7588-4e47-95f7-6338b3cc2735 | mp-1247690 | Insert a Os atom in the line between atoms at indices 15 and 36, and the inserted atom must be 3.15 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural SrCa7Mn8O24
_chemical_formula_sum "Sr1 Ca7 Mn8 O24"
_cell_length_a 7.618931
_cell_length_b 7.618931
_cell_length_c 7.618931
_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 SrCa7Mn8O24Os
_chemical_formula_sum "Sr1 Ca7 Mn8 O24 Os1"
_cell_length_a 7.618931
_cell_length_b 7.618931
_cell_length_c 7.618931
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 344e1cb1-ec7c-4f7c-a527-7ae8b5b23755 | mp-755675 | Insert a Tc atom in the line between atoms at indices 6 and 11, and the inserted atom must be 4.31 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li4AlCr3O8
_chemical_formula_sum "Li4 Al1 Cr3 O8"
_cell_length_a 5.07750464
_cell_length_b 5.915706729999999
_cell_length_c 5.85155662
_cell_angle_alpha 119.64187088
_cell_angle_beta 90.00106798000002
_cell_angle_gamma 73.41573531
... | data_image0
_chemical_formula_structural Li4AlCr3O8Tc
_chemical_formula_sum "Li4 Al1 Cr3 O8 Tc1"
_cell_length_a 5.07750464
_cell_length_b 5.915706729999999
_cell_length_c 5.85155662
_cell_angle_alpha 119.64187088
_cell_angle_beta 90.00106798000002
_cell_angle_gamma 73.4157... |
InsertBetweenAtomsAction | 0bc4296b-b8e9-4acd-b7f8-278b06d94044 | mp-706913 | Insert a Pm atom in the line between atoms at indices 8 and 25, and the inserted atom must be 1.36 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Be2H16N4O20
_chemical_formula_sum "Be2 H16 N4 O20"
_cell_length_a 8.86449396
_cell_length_b 8.86449396
_cell_length_c 8.86449396
_cell_angle_alpha 97.2495202
_cell_angle_beta 97.2495202
_cell_angle_gamma 138.38451916
_space_group_n... | data_image0
_chemical_formula_structural Be2H16N4O20Pm
_chemical_formula_sum "Be2 H16 N4 O20 Pm1"
_cell_length_a 8.86449396
_cell_length_b 8.86449396
_cell_length_c 8.86449396
_cell_angle_alpha 97.2495202
_cell_angle_beta 97.2495202
_cell_angle_gamma 138.38451916
_space_g... |
InsertBetweenAtomsAction | ebe8b37b-1cc2-4dcf-aec8-669cf10de608 | mp-1040902 | Insert a Hs atom in the line between atoms at indices 13 and 18, and the inserted atom must be 11.01 angstrom from atom at 13 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 Mg4Cr8P8O32Hs
_chemical_formula_sum "Mg4 Cr8 P8 O32 Hs1"
_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 | c5153743-b7dd-4c17-80da-0f0871538719 | mp-1041051 | Insert a Rf atom in the line between atoms at indices 11 and 22, and the inserted atom must be 0.67 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ca6V12O24
_chemical_formula_sum "Ca6 V12 O24"
_cell_length_a 6.30176056
_cell_length_b 6.30176056
_cell_length_c 15.47552296
_cell_angle_alpha 89.87511083999999
_cell_angle_beta 89.87511083999999
_cell_angle_gamma 59.88871945
_spac... | data_image0
_chemical_formula_structural Ca6V12O24Rf
_chemical_formula_sum "Ca6 V12 O24 Rf1"
_cell_length_a 6.30176056
_cell_length_b 6.30176056
_cell_length_c 15.47552296
_cell_angle_alpha 89.87511083999999
_cell_angle_beta 89.87511083999999
_cell_angle_gamma 59.88871945
... |
InsertBetweenAtomsAction | 482a69de-3859-41e2-9848-5ce9b15f6367 | mp-542493 | Insert a Mn atom in the line between atoms at indices 21 and 9, and the inserted atom must be 1.10 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Sc10Co8Si20
_chemical_formula_sum "Sc10 Co8 Si20"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945552
_spa... | data_image0
_chemical_formula_structural Sc10Co8Si20Mn
_chemical_formula_sum "Sc10 Co8 Si20 Mn1"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945552... |
InsertBetweenAtomsAction | ddbf4693-e515-4d3d-ab83-b2eabbc6393b | mp-23137 | Insert a Sm atom in the line between atoms at indices 5 and 6, and the inserted atom must be 3.93 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ba2YBiO6
_chemical_formula_sum "Ba2 Y1 Bi1 O6"
_cell_length_a 6.16635721
_cell_length_b 6.16635721
_cell_length_c 6.16635721
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Ba2YBiO6Sm
_chemical_formula_sum "Ba2 Y1 Bi1 O6 Sm1"
_cell_length_a 6.16635721
_cell_length_b 6.16635721
_cell_length_c 6.16635721
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... |
InsertBetweenAtomsAction | 67d55208-2db6-4ad8-9171-5792b5094075 | mp-1223688 | Insert a Li atom in the line between atoms at indices 32 and 36, and the inserted atom must be 2.92 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural La2Fe10Bi8O30
_chemical_formula_sum "La2 Fe10 Bi8 O30"
_cell_length_a 5.583138
_cell_length_b 12.52827421
_cell_length_c 9.677179550000002
_cell_angle_alpha 97.24303101
_cell_angle_beta 106.78181927
_cell_angle_gamma 102.87975701
_... | data_image0
_chemical_formula_structural La2Fe10Bi8O30Li
_chemical_formula_sum "La2 Fe10 Bi8 O30 Li1"
_cell_length_a 5.583138
_cell_length_b 12.52827421
_cell_length_c 9.677179550000002
_cell_angle_alpha 97.24303101
_cell_angle_beta 106.78181927
_cell_angle_gamma 102.87975... |
InsertBetweenAtomsAction | 26e75d6a-b225-41cd-b3de-44bdf35fc7f4 | mp-1522181 | Insert a H atom in the line between atoms at indices 14 and 4, and the inserted atom must be 5.42 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural NaLaSe4O12
_chemical_formula_sum "Na1 La1 Se4 O12"
_cell_length_a 6.15485582
_cell_length_b 6.15485582
_cell_length_c 7.40850818
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.01424357
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural NaLaSe4O12H
_chemical_formula_sum "Na1 La1 Se4 O12 H1"
_cell_length_a 6.15485582
_cell_length_b 6.15485582
_cell_length_c 7.40850818
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 106.01424357
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 4e3dd375-20a9-4aea-b5a7-bc393ad2a860 | mp-758131 | Insert a Rf atom in the line between atoms at indices 14 and 10, and the inserted atom must be 1.54 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural V2P2H14N4O10
_chemical_formula_sum "V2 P2 H14 N4 O10"
_cell_length_a 4.959453
_cell_length_b 6.907673
_cell_length_c 8.562102240000002
_cell_angle_alpha 89.04946141
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural V2P2H14N4O10Rf
_chemical_formula_sum "V2 P2 H14 N4 O10 Rf1"
_cell_length_a 4.959453
_cell_length_b 6.907673
_cell_length_c 8.562102240000002
_cell_angle_alpha 89.04946141
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | c0cda5b4-4668-4c87-b0b0-b7f2ceff64b7 | mp-1103082 | Insert a Hs atom in the line between atoms at indices 9 and 8, and the inserted atom must be 0.73 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Sm2Co6Ni2B2
_chemical_formula_sum "Sm2 Co6 Ni2 B2"
_cell_length_a 5.02491968
_cell_length_b 5.0237182
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00790056
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sm2Co6Ni2B2Hs
_chemical_formula_sum "Sm2 Co6 Ni2 B2 Hs1"
_cell_length_a 5.02491968
_cell_length_b 5.0237182
_cell_length_c 6.873177
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00790056
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 5cadfe02-96fb-4ada-b59f-b39d9e84c2d5 | mp-4338 | Insert a Mc atom in the line between atoms at indices 2 and 1, and the inserted atom must be 3.21 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Cr4Cd2S8
_chemical_formula_sum "Cr4 Cd2 S8"
_cell_length_a 7.2747481
_cell_length_b 7.27475351
_cell_length_c 7.27475428
_cell_angle_alpha 59.99988900999998
_cell_angle_beta 59.99983312
_cell_angle_gamma 59.99973922999999
_space_gr... | data_image0
_chemical_formula_structural Cr4Cd2S8Mc
_chemical_formula_sum "Cr4 Cd2 S8 Mc1"
_cell_length_a 7.2747481
_cell_length_b 7.27475351
_cell_length_c 7.27475428
_cell_angle_alpha 59.99988900999998
_cell_angle_beta 59.99983312
_cell_angle_gamma 59.99973922999999
_sp... |
InsertBetweenAtomsAction | 9bbc96a9-1c30-4b3a-aee0-5e0ebf056df7 | mp-1205713 | Insert a Y atom in the line between atoms at indices 3 and 0, and the inserted atom must be 1.91 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ba2YUO6
_chemical_formula_sum "Ba2 Y1 U1 O6"
_cell_length_a 6.2390294
_cell_length_b 6.2390294
_cell_length_c 6.2390294
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... | data_image0
_chemical_formula_structural Ba2YUO6Y
_chemical_formula_sum "Ba2 Y2 U1 O6"
_cell_length_a 6.2390294
_cell_length_b 6.2390294
_cell_length_c 6.2390294
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... |
InsertBetweenAtomsAction | eb92dbeb-34f5-435b-95ca-2dd2e687c96c | mp-772666 | Insert a Po atom in the line between atoms at indices 4 and 1, and the inserted atom must be 2.50 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li4Cr4O14
_chemical_formula_sum "Li4 Cr4 O14"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_space_grou... | data_image0
_chemical_formula_structural Li4Cr4O14Po
_chemical_formula_sum "Li4 Cr4 O14 Po1"
_cell_length_a 7.362134
_cell_length_b 7.22374633
_cell_length_c 6.537807259999999
_cell_angle_alpha 109.15766357
_cell_angle_beta 90.10747883
_cell_angle_gamma 116.14462927
_spac... |
InsertBetweenAtomsAction | 9f9549bb-b326-4ac2-b7da-fb0702c22a28 | mp-640883 | Insert a Bh atom in the line between atoms at indices 49 and 45, and the inserted atom must be 4.06 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural V8Bi8Pb16O48
_chemical_formula_sum "V8 Bi8 Pb16 O48"
_cell_length_a 5.824733
_cell_length_b 7.909258
_cell_length_c 30.358000030000003
_cell_angle_alpha 79.68016401
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural V8Bi8Pb16O48Bh
_chemical_formula_sum "V8 Bi8 Pb16 O48 Bh1"
_cell_length_a 5.824733
_cell_length_b 7.909258
_cell_length_c 30.358000030000003
_cell_angle_alpha 79.68016401
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | d6bdf138-994d-443d-ac1e-a2374fc42196 | mp-7998 | Insert a Am atom in the line between atoms at indices 17 and 14, and the inserted atom must be 1.13 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Li4Ge4O10
_chemical_formula_sum "Li4 Ge4 O10"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ge4O10Am
_chemical_formula_sum "Li4 Ge4 O10 Am1"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | f608b93c-1e30-4ce3-a9c4-e9989edf43cc | mp-768696 | Insert a Am atom in the line between atoms at indices 12 and 6, and the inserted atom must be 1.25 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li6Cr6Fe2O16
_chemical_formula_sum "Li6 Cr6 Fe2 O16"
_cell_length_a 5.14531155
_cell_length_b 7.79461858
_cell_length_c 7.75117187
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_gamma 84.04967228
_spac... | data_image0
_chemical_formula_structural Li6Cr6Fe2O16Am
_chemical_formula_sum "Li6 Cr6 Fe2 O16 Am1"
_cell_length_a 5.14531155
_cell_length_b 7.79461858
_cell_length_c 7.75117187
_cell_angle_alpha 81.86831959
_cell_angle_beta 70.76188174999999
_cell_angle_gamma 84.04967228
... |
InsertBetweenAtomsAction | 516df922-baf1-4db2-b333-f867d6e15b56 | mp-9619 | Insert a Bi atom in the line between atoms at indices 15 and 10, and the inserted atom must be 1.36 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P12Bi
_chemical_formula_sum "Th1 Fe4 P12 Bi1"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_gro... |
InsertBetweenAtomsAction | 8fa54dae-fff6-4885-bacb-7462882228a8 | mp-1110571 | Insert a Os atom in the line between atoms at indices 1 and 7, and the inserted atom must be 1.92 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Na3CrF6
_chemical_formula_sum "Na3 Cr1 F6"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group_name_... | data_image0
_chemical_formula_structural Na3CrF6Os
_chemical_formula_sum "Na3 Cr1 F6 Os1"
_cell_length_a 5.79972
_cell_length_b 5.79972013
_cell_length_c 5.79972038
_cell_angle_alpha 60.00000193
_cell_angle_beta 60.00000217
_cell_angle_gamma 60.00000072000001
_space_group... |
InsertBetweenAtomsAction | 4d1ea97f-5ad9-4479-8793-668bf9920647 | mp-2230574 | Insert a Ge atom in the line between atoms at indices 18 and 5, and the inserted atom must be 1.13 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural La4MgMo2O12
_chemical_formula_sum "La4 Mg1 Mo2 O12"
_cell_length_a 5.64825642
_cell_length_b 5.9321261199999995
_cell_length_c 8.02016812
_cell_angle_alpha 88.89142471
_cell_angle_beta 92.23505318
_cell_angle_gamma 89.13409609
_spa... | data_image0
_chemical_formula_structural La4MgMo2O12Ge
_chemical_formula_sum "La4 Mg1 Mo2 O12 Ge1"
_cell_length_a 5.64825642
_cell_length_b 5.9321261199999995
_cell_length_c 8.02016812
_cell_angle_alpha 88.89142471
_cell_angle_beta 92.23505318
_cell_angle_gamma 89.13409609... |
InsertBetweenAtomsAction | 34308b44-01cb-4d2c-8699-412865ad43c4 | mp-1019732 | Insert a Y atom in the line between atoms at indices 9 and 8, and the inserted atom must be 1.88 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Eu4Al8O16
_chemical_formula_sum "Eu4 Al8 O16"
_cell_length_a 8.78679975
_cell_length_b 5.15898983
_cell_length_c 8.41576037
_cell_angle_alpha 86.64672714
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Eu4Al8O16Y
_chemical_formula_sum "Eu4 Al8 O16 Y1"
_cell_length_a 8.78679975
_cell_length_b 5.15898983
_cell_length_c 8.41576037
_cell_angle_alpha 86.64672714
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 883d82af-3e11-49fe-91f7-77e69fa0fee9 | mp-1103079 | Insert a Fl atom in the line between atoms at indices 2 and 9, and the inserted atom must be 3.87 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Sm4Ga4Ni4
_chemical_formula_sum "Sm4 Ga4 Ni4"
_cell_length_a 4.38833465
_cell_length_b 7.01560545
_cell_length_c 7.18198278
_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 Sm4Ga4Ni4Fl
_chemical_formula_sum "Sm4 Ga4 Ni4 Fl1"
_cell_length_a 4.38833465
_cell_length_b 7.01560545
_cell_length_c 7.18198278
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 60b995ab-41a3-43d0-a747-4cd22f7632d4 | mp-541140 | Insert a P atom in the line between atoms at indices 3 and 25, and the inserted atom must be 5.80 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Tl12Fe8S16
_chemical_formula_sum "Tl12 Fe8 S16"
_cell_length_a 7.482301
_cell_length_b 10.642815
_cell_length_c 11.309137
_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 Tl12Fe8S16P
_chemical_formula_sum "Tl12 Fe8 S16 P1"
_cell_length_a 7.482301
_cell_length_b 10.642815
_cell_length_c 11.309137
_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 | ca9b2c71-1764-4446-a85e-036f55f253b9 | mp-1205669 | Insert a Mn atom in the line between atoms at indices 1 and 7, and the inserted atom must be 2.52 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ba2YMoO6
_chemical_formula_sum "Ba2 Y1 Mo1 O6"
_cell_length_a 6.0192691
_cell_length_b 6.019269100000001
_cell_length_c 6.0192691
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Ba2YMoO6Mn
_chemical_formula_sum "Ba2 Y1 Mo1 O6 Mn1"
_cell_length_a 6.0192691
_cell_length_b 6.019269100000001
_cell_length_c 6.0192691
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999... |
InsertBetweenAtomsAction | 12808f2a-d582-442b-8405-f0476c2091fb | mp-567735 | Insert a Kr atom in the line between atoms at indices 11 and 13, and the inserted atom must be 1.26 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Nd10Si6
_chemical_formula_sum "Nd10 Si6"
_cell_length_a 7.82581624
_cell_length_b 7.82581132
_cell_length_c 8.89325755
_cell_angle_alpha 116.10147128
_cell_angle_beta 116.10077918999998
_cell_angle_gamma 89.99726154
_space_group_na... | data_image0
_chemical_formula_structural Nd10Si6Kr
_chemical_formula_sum "Nd10 Si6 Kr1"
_cell_length_a 7.82581624
_cell_length_b 7.82581132
_cell_length_c 8.89325755
_cell_angle_alpha 116.10147128
_cell_angle_beta 116.10077918999998
_cell_angle_gamma 89.99726154
_space_gr... |
InsertBetweenAtomsAction | 0881e045-3b98-4602-8446-7de128ef77b7 | mp-622785 | Insert a Fe atom in the line between atoms at indices 0 and 24, and the inserted atom must be 1.51 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Fe16S16N16O16
_chemical_formula_sum "Fe16 S16 N16 O16"
_cell_length_a 10.435039
_cell_length_b 11.217004
_cell_length_c 15.292553349999999
_cell_angle_alpha 58.19865374999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... | data_image0
_chemical_formula_structural Fe16S16N16O16Fe
_chemical_formula_sum "Fe17 S16 N16 O16"
_cell_length_a 10.435039
_cell_length_b 11.217004
_cell_length_c 15.292553349999999
_cell_angle_alpha 58.19865374999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
InsertBetweenAtomsAction | 18d8d3ee-372d-4372-aea1-9cb354278d4c | mp-1075490 | Insert a Pd atom in the line between atoms at indices 5 and 10, and the inserted atom must be 2.47 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mg10Si12
_chemical_formula_sum "Mg10 Si12"
_cell_length_a 3.76229
_cell_length_b 7.462234
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Mg10Si12Pd
_chemical_formula_sum "Mg10 Si12 Pd1"
_cell_length_a 3.76229
_cell_length_b 7.462234
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | af4451a8-4957-42c7-96b5-cfa830d984d6 | mp-559695 | Insert a Co atom in the line between atoms at indices 6 and 4, and the inserted atom must be 2.19 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Cs2RbBiF6
_chemical_formula_sum "Cs2 Rb1 Bi1 F6"
_cell_length_a 7.0531073
_cell_length_b 7.053107299999999
_cell_length_c 7.0531073
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural Cs2RbBiF6Co
_chemical_formula_sum "Cs2 Rb1 Bi1 F6 Co1"
_cell_length_a 7.0531073
_cell_length_b 7.053107299999999
_cell_length_c 7.0531073
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99... |
InsertBetweenAtomsAction | 846e72c3-a02b-40c6-a7f3-366dd76b8e2d | mp-1218118 | Insert a Db atom in the line between atoms at indices 0 and 10, and the inserted atom must be 0.86 angstrom from atom at 0 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 SrSm3Mn4O12Db
_chemical_formula_sum "Sr1 Sm3 Mn4 O12 Db1"
_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 | 2ea0f1c0-4596-4ee3-b628-7284d8bb890a | mp-695887 | Insert a Np atom in the line between atoms at indices 6 and 23, and the inserted atom must be 3.19 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural K3Cu2P4HO14
_chemical_formula_sum "K3 Cu2 P4 H1 O14"
_cell_length_a 5.26174534
_cell_length_b 5.52086112
_cell_length_c 12.69132558
_cell_angle_alpha 90.60332849
_cell_angle_beta 100.43952077
_cell_angle_gamma 117.17330493999998
_s... | data_image0
_chemical_formula_structural K3Cu2P4HO14Np
_chemical_formula_sum "K3 Cu2 P4 H1 O14 Np1"
_cell_length_a 5.26174534
_cell_length_b 5.52086112
_cell_length_c 12.69132558
_cell_angle_alpha 90.60332849
_cell_angle_beta 100.43952077
_cell_angle_gamma 117.173304939999... |
InsertBetweenAtomsAction | 8c1bfb7e-fe25-4301-a375-3a984fe68d9a | mp-1199758 | Insert a Si atom in the line between atoms at indices 7 and 71, and the inserted atom must be 0.45 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Fe4H32N12O52
_chemical_formula_sum "Fe4 H32 N12 O52"
_cell_length_a 14.96349093
_cell_length_b 7.04897543
_cell_length_c 11.04619457
_cell_angle_alpha 56.76809556
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Fe4H32N12O52Si
_chemical_formula_sum "Fe4 H32 N12 O52 Si1"
_cell_length_a 14.96349093
_cell_length_b 7.04897543
_cell_length_c 11.04619457
_cell_angle_alpha 56.76809556
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | 3d0ec4e7-261a-41d6-abcf-430d06dc5ba0 | mp-1217522 | Insert a Mc atom in the line between atoms at indices 27 and 10, and the inserted atom must be 2.17 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Tb4Ta4Ti4O24
_chemical_formula_sum "Tb4 Ta4 Ti4 O24"
_cell_length_a 5.250565
_cell_length_b 7.45333
_cell_length_c 11.090216
_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 Tb4Ta4Ti4O24Mc
_chemical_formula_sum "Tb4 Ta4 Ti4 O24 Mc1"
_cell_length_a 5.250565
_cell_length_b 7.45333
_cell_length_c 11.090216
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | a0872e44-81c7-4d4a-a808-1c0bf910c3dc | mp-1518352 | Insert a Np atom in the line between atoms at indices 0 and 6, and the inserted atom must be 1.49 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural CaEuZrVO6
_chemical_formula_sum "Ca1 Eu1 Zr1 V1 O6"
_cell_length_a 5.67914791
_cell_length_b 5.67914791
_cell_length_c 5.679147909999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... | data_image0
_chemical_formula_structural CaEuZrVO6Np
_chemical_formula_sum "Ca1 Eu1 Zr1 V1 O6 Np1"
_cell_length_a 5.67914791
_cell_length_b 5.67914791
_cell_length_c 5.679147909999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 57e35e0c-0b14-4f91-a467-b0c792a413b1 | mp-1199320 | Insert a Pb atom in the line between atoms at indices 11 and 24, and the inserted atom must be 3.01 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Na8Cr4P8O30
_chemical_formula_sum "Na8 Cr4 P8 O30"
_cell_length_a 9.877316
_cell_length_b 7.865719
_cell_length_c 10.52743636
_cell_angle_alpha 54.48099449
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Na8Cr4P8O30Pb
_chemical_formula_sum "Na8 Cr4 P8 O30 Pb1"
_cell_length_a 9.877316
_cell_length_b 7.865719
_cell_length_c 10.52743636
_cell_angle_alpha 54.48099449
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 81d2af06-5b59-4919-8a3e-d36bbaa6f3ef | mp-30823 | Insert a Tm atom in the line between atoms at indices 10 and 9, and the inserted atom must be 1.68 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Pu10Os6
_chemical_formula_sum "Pu10 Os6"
_cell_length_a 8.23288286
_cell_length_b 8.23288286
_cell_length_c 8.23288286
_cell_angle_alpha 96.50346547
_cell_angle_beta 96.50346547
_cell_angle_gamma 140.66682847
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pu10Os6Tm
_chemical_formula_sum "Pu10 Os6 Tm1"
_cell_length_a 8.23288286
_cell_length_b 8.23288286
_cell_length_c 8.23288286
_cell_angle_alpha 96.50346547
_cell_angle_beta 96.50346547
_cell_angle_gamma 140.66682847
_space_group_nam... |
InsertBetweenAtomsAction | cd943f32-5897-4050-aa8a-f961dffc0b3e | mp-1207393 | Insert a Ce atom in the line between atoms at indices 7 and 10, and the inserted atom must be 3.89 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Zr6Ga10
_chemical_formula_sum "Zr6 Ga10"
_cell_length_a 5.68468778
_cell_length_b 5.684686339999999
_cell_length_c 9.00047642
_cell_angle_alpha 90.00156011999998
_cell_angle_beta 90.00158053
_cell_angle_gamma 102.60473413999999
_sp... | data_image0
_chemical_formula_structural Zr6Ga10Ce
_chemical_formula_sum "Zr6 Ga10 Ce1"
_cell_length_a 5.68468778
_cell_length_b 5.684686339999999
_cell_length_c 9.00047642
_cell_angle_alpha 90.00156011999998
_cell_angle_beta 90.00158053
_cell_angle_gamma 102.6047341399999... |
InsertBetweenAtomsAction | 9315887d-0f38-48d0-b7e0-00e1bdf7b851 | mp-1224145 | Insert a Fm atom in the line between atoms at indices 35 and 44, and the inserted atom must be 2.18 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural K8Mo8P8O44
_chemical_formula_sum "K8 Mo8 P8 O44"
_cell_length_a 10.3004
_cell_length_b 10.038354
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural K8Mo8P8O44Fm
_chemical_formula_sum "K8 Mo8 P8 O44 Fm1"
_cell_length_a 10.3004
_cell_length_b 10.038354
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | df4d10aa-7e2f-4082-9de8-9fb4a17b5aec | mp-558805 | Insert a Am atom in the line between atoms at indices 3 and 41, and the inserted atom must be 4.66 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Na12Nd4B8O24
_chemical_formula_sum "Na12 Nd4 B8 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na12Nd4B8O24Am
_chemical_formula_sum "Na12 Nd4 B8 O24 Am1"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 342927d8-ea93-4aa0-ae65-10c0fdc2a7eb | mp-27187 | Insert a Ir atom in the line between atoms at indices 11 and 26, and the inserted atom must be 1.55 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Be8Tl4F20
_chemical_formula_sum "Be8 Tl4 F20"
_cell_length_a 4.62468618
_cell_length_b 8.04797323
_cell_length_c 12.20578461
_cell_angle_alpha 88.51685112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Be8Tl4F20Ir
_chemical_formula_sum "Be8 Tl4 F20 Ir1"
_cell_length_a 4.62468618
_cell_length_b 8.04797323
_cell_length_c 12.20578461
_cell_angle_alpha 88.51685112
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 7e5fb116-184c-4fbf-a718-bac288910dd1 | mp-1196630 | Insert a Mt atom in the line between atoms at indices 10 and 44, and the inserted atom must be 6.33 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Fe2Cu16Sb6S26N12Mt
_chemical_formula_sum "Fe2 Cu16 Sb6 S26 N12 Mt1"
_cell_length_a 12.46461247
_cell_length_b 12.46461247
_cell_length_c 12.46461247
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_g... |
InsertBetweenAtomsAction | e192698f-d6ec-4421-9440-38255c0a467d | mp-1103985 | Insert a No atom in the line between atoms at indices 1 and 3, and the inserted atom must be 0.69 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Nd9Pt6
_chemical_formula_sum "Nd9 Pt6"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.38940419999999
... | data_image0
_chemical_formula_structural Nd9Pt6No
_chemical_formula_sum "Nd9 Pt6 No1"
_cell_length_a 7.70172695
_cell_length_b 7.701915030000001
_cell_length_c 7.701846680000001
_cell_angle_alpha 71.39027492
_cell_angle_beta 71.38926960999999
_cell_angle_gamma 71.389404199... |
InsertBetweenAtomsAction | 50e1f567-4ed2-4b03-908f-edda1c0dda05 | mp-26956 | Insert a Fe atom in the line between atoms at indices 49 and 45, and the inserted atom must be 2.13 angstrom from atom at 49 in the cif file. | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural V4P16O48Fe
_chemical_formula_sum "V4 P16 O48 Fe1"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
InsertBetweenAtomsAction | 1d561af4-e0a6-4dbd-8f83-603ecdb0d324 | mp-1212166 | Insert a Sn atom in the line between atoms at indices 23 and 17, and the inserted atom must be 0.77 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li2Eu2W4O16
_chemical_formula_sum "Li2 Eu2 W4 O16"
_cell_length_a 5.930097
_cell_length_b 5.150122
_cell_length_c 11.0886678
_cell_angle_alpha 67.27377906999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Eu2W4O16Sn
_chemical_formula_sum "Li2 Eu2 W4 O16 Sn1"
_cell_length_a 5.930097
_cell_length_b 5.150122
_cell_length_c 11.0886678
_cell_angle_alpha 67.27377906999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | c632dfce-06cb-4fff-a0ae-9d808fd28489 | mp-765221 | Insert a Nb atom in the line between atoms at indices 6 and 1, and the inserted atom must be 2.32 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mn12O2F22
_chemical_formula_sum "Mn12 O2 F22"
_cell_length_a 16.214164
_cell_length_b 4.964197
_cell_length_c 5.88786578
_cell_angle_alpha 89.10596181
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Mn12O2F22Nb
_chemical_formula_sum "Mn12 O2 F22 Nb1"
_cell_length_a 16.214164
_cell_length_b 4.964197
_cell_length_c 5.88786578
_cell_angle_alpha 89.10596181
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 74ae25f5-39a3-45c1-9703-4638a2af3d0a | mp-27757 | Insert a Pu atom in the line between atoms at indices 9 and 0, and the inserted atom must be 1.39 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Be8B2
_chemical_formula_sum "Be8 B2"
_cell_length_a 3.35699684
_cell_length_b 3.35699684
_cell_length_c 7.00653647
_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 Be8B2Pu
_chemical_formula_sum "Be8 B2 Pu1"
_cell_length_a 3.35699684
_cell_length_b 3.35699684
_cell_length_c 7.00653647
_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 | 2b52fbb1-5425-4bb5-a8a9-07df691a3056 | mp-1379435 | Insert a Ho atom in the line between atoms at indices 3 and 8, and the inserted atom must be 1.42 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li5Ni5O10
_chemical_formula_sum "Li5 Ni5 O10"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group_name_... | data_image0
_chemical_formula_structural Li5Ni5O10Ho
_chemical_formula_sum "Li5 Ni5 O10 Ho1"
_cell_length_a 5.044044
_cell_length_b 5.0622307
_cell_length_c 7.55069839
_cell_angle_alpha 107.22642697
_cell_angle_beta 104.00352496
_cell_angle_gamma 100.02903078
_space_group... |
InsertBetweenAtomsAction | c2544525-1377-4eac-b3e4-d6c70b75d1af | mp-1203991 | Insert a Gd atom in the line between atoms at indices 2 and 28, and the inserted atom must be 1.28 angstrom from atom at 2 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 K2PdS8O26Gd
_chemical_formula_sum "K2 Pd1 S8 O26 Gd1"
_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 | 59316cc1-8cb7-40bf-8054-aefb83be17a9 | mp-1218159 | Insert a Sn atom in the line between atoms at indices 4 and 10, and the inserted atom must be 1.87 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural SrNd2Cu2O6
_chemical_formula_sum "Sr1 Nd2 Cu2 O6"
_cell_length_a 10.24304913
_cell_length_b 10.24304913
_cell_length_c 10.243049130000001
_cell_angle_alpha 158.28571221
_cell_angle_beta 158.28571221
_cell_angle_gamma 30.898240179999... | data_image0
_chemical_formula_structural SrNd2Cu2O6Sn
_chemical_formula_sum "Sr1 Nd2 Cu2 O6 Sn1"
_cell_length_a 10.24304913
_cell_length_b 10.24304913
_cell_length_c 10.243049130000001
_cell_angle_alpha 158.28571221
_cell_angle_beta 158.28571221
_cell_angle_gamma 30.898240... |
InsertBetweenAtomsAction | 574a76a8-2f41-4570-acce-41bcec46fdb9 | mp-1049246 | Insert a Ra atom in the line between atoms at indices 15 and 4, and the inserted atom must be 0.61 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural La2Zn2Cr2W2O12
_chemical_formula_sum "La2 Zn2 Cr2 W2 O12"
_cell_length_a 5.44903963
_cell_length_b 5.697279
_cell_length_c 7.88062482
_cell_angle_alpha 90.0
_cell_angle_beta 89.14472273999999
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural La2Zn2Cr2W2O12Ra
_chemical_formula_sum "La2 Zn2 Cr2 W2 O12 Ra1"
_cell_length_a 5.44903963
_cell_length_b 5.697279
_cell_length_c 7.88062482
_cell_angle_alpha 90.0
_cell_angle_beta 89.14472273999999
_cell_angle_gamma 90.0
_space_gro... |
InsertBetweenAtomsAction | ce28a5e0-e419-4ce3-8ff0-a57d64239080 | mp-1110620 | Insert a Bk atom in the line between atoms at indices 6 and 9, and the inserted atom must be 1.93 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Na2TlCoF6
_chemical_formula_sum "Na2 Tl1 Co1 F6"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958999999... | data_image0
_chemical_formula_structural Na2TlCoF6Bk
_chemical_formula_sum "Na2 Tl1 Co1 F6 Bk1"
_cell_length_a 6.195451
_cell_length_b 6.19544992
_cell_length_c 6.19545011
_cell_angle_alpha 60.000003779999986
_cell_angle_beta 60.00000055999999
_cell_angle_gamma 59.99999958... |
InsertBetweenAtomsAction | d9a64d58-dd01-4d81-8c2a-8866615da234 | mp-1112377 | Insert a Kr atom in the line between atoms at indices 5 and 4, and the inserted atom must be 3.00 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural K2TaCuCl6
_chemical_formula_sum "K2 Ta1 Cu1 Cl6"
_cell_length_a 7.09717241
_cell_length_b 7.09717268
_cell_length_c 7.09717266
_cell_angle_alpha 59.99999906
_cell_angle_beta 59.99999863
_cell_angle_gamma 59.999998670000004
_space_g... | data_image0
_chemical_formula_structural K2TaCuCl6Kr
_chemical_formula_sum "K2 Ta1 Cu1 Cl6 Kr1"
_cell_length_a 7.09717241
_cell_length_b 7.09717268
_cell_length_c 7.09717266
_cell_angle_alpha 59.99999906
_cell_angle_beta 59.99999863
_cell_angle_gamma 59.999998670000004
_s... |
InsertBetweenAtomsAction | 8adec186-6ec5-4480-bd68-c4ab7ea90459 | mp-27148 | Insert a Ta atom in the line between atoms at indices 6 and 18, and the inserted atom must be 2.58 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Be8P16
_chemical_formula_sum "Be8 P16"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... | data_image0
_chemical_formula_structural Be8P16Ta
_chemical_formula_sum "Be8 P16 Ta1"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_grou... |
InsertBetweenAtomsAction | 5079af91-c0bb-40ce-a470-2c96a9f7ef6f | mp-1336779 | Insert a Po atom in the line between atoms at indices 14 and 47, and the inserted atom must be 2.83 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Lu20Fe10S40
_chemical_formula_sum "Lu20 Fe10 S40"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural Lu20Fe10S40Po
_chemical_formula_sum "Lu20 Fe10 S40 Po1"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma... |
InsertBetweenAtomsAction | 836cd429-3a78-4977-a2db-7ad2c8965d7d | mp-30385 | Insert a Si atom in the line between atoms at indices 4 and 5, and the inserted atom must be 3.40 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ho8Au4
_chemical_formula_sum "Ho8 Au4"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ho8Au4Si
_chemical_formula_sum "Ho8 Au4 Si1"
_cell_length_a 4.92128578
_cell_length_b 7.05105613
_cell_length_c 8.82328982
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.00017434
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 9e13693b-2605-4cce-84bd-a26e4802c390 | mp-849990 | Insert a Pd atom in the line between atoms at indices 36 and 3, and the inserted atom must be 0.96 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Li4Mn8B8O24
_chemical_formula_sum "Li4 Mn8 B8 O24"
_cell_length_a 5.304354
_cell_length_b 9.14812549
_cell_length_c 11.542364970000001
_cell_angle_alpha 112.63512446000001
_cell_angle_beta 101.95435242999999
_cell_angle_gamma 89.536... | data_image0
_chemical_formula_structural Li4Mn8B8O24Pd
_chemical_formula_sum "Li4 Mn8 B8 O24 Pd1"
_cell_length_a 5.304354
_cell_length_b 9.14812549
_cell_length_c 11.542364970000001
_cell_angle_alpha 112.63512446000001
_cell_angle_beta 101.95435242999999
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 85346680-d8ce-4502-bfe3-89b58ec10611 | mp-3536 | Insert a Cm atom in the line between atoms at indices 1 and 6, and the inserted atom must be 1.60 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mg2Al4O8
_chemical_formula_sum "Mg2 Al4 O8"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.00000319999999
_s... | data_image0
_chemical_formula_structural Mg2Al4O8Cm
_chemical_formula_sum "Mg2 Al4 O8 Cm1"
_cell_length_a 5.7136991
_cell_length_b 5.7136987
_cell_length_c 5.713699650000001
_cell_angle_alpha 60.000006019999994
_cell_angle_beta 60.00000836
_cell_angle_gamma 60.000003199999... |
InsertBetweenAtomsAction | 37c023cc-a877-4b48-9b4b-d4212ee51adc | mp-2232687 | Insert a Ba atom in the line between atoms at indices 3 and 14, and the inserted atom must be 0.32 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural MgV4SnO12
_chemical_formula_sum "Mg1 V4 Sn1 O12"
_cell_length_a 7.02387619
_cell_length_b 7.02387624
_cell_length_c 5.79328966
_cell_angle_alpha 73.67689791
_cell_angle_beta 106.32311029
_cell_angle_gamma 100.78707567000001
_space_... | data_image0
_chemical_formula_structural MgV4SnO12Ba
_chemical_formula_sum "Mg1 V4 Sn1 O12 Ba1"
_cell_length_a 7.02387619
_cell_length_b 7.02387624
_cell_length_c 5.79328966
_cell_angle_alpha 73.67689791
_cell_angle_beta 106.32311029
_cell_angle_gamma 100.78707567000001
_... |
InsertBetweenAtomsAction | 6c4d9b77-3c3d-4fd0-b2d8-43bc64f8bda9 | mp-606949 | Insert a Tl atom in the line between atoms at indices 6 and 8, and the inserted atom must be 5.66 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural C12
_chemical_formula_sum "C12"
_cell_length_a 2.45625014
_cell_length_b 2.4562497799999994
_cell_length_c 29.4918787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99943415000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural C12Tl
_chemical_formula_sum "C12 Tl1"
_cell_length_a 2.45625014
_cell_length_b 2.4562497799999994
_cell_length_c 29.4918787
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99943415000001
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 5096751a-6b2c-4d51-b964-5cc4a6426917 | mp-1207705 | Insert a Dy atom in the line between atoms at indices 12 and 18, and the inserted atom must be 3.95 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Tm4Rh4O12
_chemical_formula_sum "Tm4 Rh4 O12"
_cell_length_a 5.17444652
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_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 Tm4Rh4O12Dy
_chemical_formula_sum "Tm4 Rh4 O12 Dy1"
_cell_length_a 5.17444652
_cell_length_b 5.70187168
_cell_length_c 7.51159096
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | f3646af6-09c8-40c2-8a58-9dc8560ff271 | mp-1210531 | Insert a Ba atom in the line between atoms at indices 36 and 47, and the inserted atom must be 10.43 angstrom from atom at 36 in the cif file. | data_image0
_chemical_formula_structural Pr14Br6O36
_chemical_formula_sum "Pr14 Br6 O36"
_cell_length_a 15.91249843
_cell_length_b 15.91249843
_cell_length_c 4.378747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000178000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Pr14Br6O36Ba
_chemical_formula_sum "Pr14 Br6 O36 Ba1"
_cell_length_a 15.91249843
_cell_length_b 15.91249843
_cell_length_c 4.378747
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000178000002
_space_group_name... |
InsertBetweenAtomsAction | c2edbd2d-a42a-4db6-96ab-21618fb46d8b | mp-627601 | Insert a Ba atom in the line between atoms at indices 1 and 2, and the inserted atom must be 2.80 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ag4Sb4S8
_chemical_formula_sum "Ag4 Sb4 S8"
_cell_length_a 7.44579064
_cell_length_b 7.44579064
_cell_length_c 13.57904443
_cell_angle_alpha 84.22146683
_cell_angle_beta 84.22146683
_cell_angle_gamma 45.79840505
_space_group_name_H... | data_image0
_chemical_formula_structural Ag4Sb4S8Ba
_chemical_formula_sum "Ag4 Sb4 S8 Ba1"
_cell_length_a 7.44579064
_cell_length_b 7.44579064
_cell_length_c 13.57904443
_cell_angle_alpha 84.22146683
_cell_angle_beta 84.22146683
_cell_angle_gamma 45.79840505
_space_group_... |
InsertBetweenAtomsAction | e7e7674b-0f6b-48af-a46f-eb6c154b7414 | mp-1111944 | Insert a Kr atom in the line between atoms at indices 1 and 7, and the inserted atom must be 0.79 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural K2InAuF6
_chemical_formula_sum "K2 In1 Au1 F6"
_cell_length_a 6.44079808
_cell_length_b 6.440798080000001
_cell_length_c 6.4407980799999995
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 5... | data_image0
_chemical_formula_structural K2InAuF6Kr
_chemical_formula_sum "K2 In1 Au1 F6 Kr1"
_cell_length_a 6.44079808
_cell_length_b 6.440798080000001
_cell_length_c 6.4407980799999995
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamm... |
InsertBetweenAtomsAction | ec665b97-c6fa-4e4e-ab2d-c2c2ec7a3084 | mp-530 | Insert a Ta atom in the line between atoms at indices 1 and 8, and the inserted atom must be 3.45 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Nd8Sb6
_chemical_formula_sum "Nd8 Sb6"
_cell_length_a 8.24091983
_cell_length_b 8.24091861
_cell_length_c 8.24091918
_cell_angle_alpha 109.47121951
_cell_angle_beta 109.47121647
_cell_angle_gamma 109.47122773
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Nd8Sb6Ta
_chemical_formula_sum "Nd8 Sb6 Ta1"
_cell_length_a 8.24091983
_cell_length_b 8.24091861
_cell_length_c 8.24091918
_cell_angle_alpha 109.47121951
_cell_angle_beta 109.47121647
_cell_angle_gamma 109.47122773
_space_group_nam... |
InsertBetweenAtomsAction | ee5ceab4-bf09-4a2f-adea-25c522255b2b | mp-1208318 | Insert a Rf atom in the line between atoms at indices 1 and 15, and the inserted atom must be 3.52 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Tb4Si4Pt8
_chemical_formula_sum "Tb4 Si4 Pt8"
_cell_length_a 5.53302783
_cell_length_b 6.91622294
_cell_length_c 7.32087111
_cell_angle_alpha 89.99976744
_cell_angle_beta 89.9994296
_cell_angle_gamma 89.9999684
_space_group_name_H-... | data_image0
_chemical_formula_structural Tb4Si4Pt8Rf
_chemical_formula_sum "Tb4 Si4 Pt8 Rf1"
_cell_length_a 5.53302783
_cell_length_b 6.91622294
_cell_length_c 7.32087111
_cell_angle_alpha 89.99976744
_cell_angle_beta 89.9994296
_cell_angle_gamma 89.9999684
_space_group_n... |
InsertBetweenAtomsAction | 1957e756-689b-4296-83ea-a643143d5702 | mp-10834 | Insert a As atom in the line between atoms at indices 8 and 10, and the inserted atom must be 1.17 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Rb2Nd4Cu2S8
_chemical_formula_sum "Rb2 Nd4 Cu2 S8"
_cell_length_a 7.34774261
_cell_length_b 7.34774261
_cell_length_c 14.03353693
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.70587414
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Rb2Nd4Cu2S8As
_chemical_formula_sum "Rb2 Nd4 Cu2 S8 As1"
_cell_length_a 7.34774261
_cell_length_b 7.34774261
_cell_length_c 14.03353693
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 147.70587414
_space_group_name_H... |
InsertBetweenAtomsAction | 132f5e1a-bbc7-4eae-b7a2-0b2b4bc96705 | mp-540267 | Insert a Lu atom in the line between atoms at indices 4 and 18, and the inserted atom must be 2.27 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural Cr2P4O14Lu
_chemical_formula_sum "Cr2 P4 O14 Lu1"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_g... |
InsertBetweenAtomsAction | 008c9a9a-bb8b-4227-a923-4d178f7c88a1 | mp-757177 | Insert a Er atom in the line between atoms at indices 19 and 1, and the inserted atom must be 1.48 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Li12Cu2S8
_chemical_formula_sum "Li12 Cu2 S8"
_cell_length_a 7.990974
_cell_length_b 7.990974
_cell_length_c 5.678244
_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 Li12Cu2S8Er
_chemical_formula_sum "Li12 Cu2 S8 Er1"
_cell_length_a 7.990974
_cell_length_b 7.990974
_cell_length_c 5.678244
_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 | 185e8c5e-fc40-473d-ad21-c21e12424081 | mp-1194136 | Insert a Ds atom in the line between atoms at indices 27 and 13, and the inserted atom must be 0.52 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Ti6Ga16Co7
_chemical_formula_sum "Ti6 Ga16 Co7"
_cell_length_a 8.35454299
_cell_length_b 8.35454299
_cell_length_c 8.35454299
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ti6Ga16Co7Ds
_chemical_formula_sum "Ti6 Ga16 Co7 Ds1"
_cell_length_a 8.35454299
_cell_length_b 8.35454299
_cell_length_c 8.35454299
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
InsertBetweenAtomsAction | 36b79673-c99d-49cf-940e-624115572252 | mp-1042875 | Insert a Os atom in the line between atoms at indices 22 and 5, and the inserted atom must be 4.16 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Mn4As8O28
_chemical_formula_sum "Mn4 As8 O28"
_cell_length_a 9.313185
_cell_length_b 6.942376
_cell_length_c 9.63071261
_cell_angle_alpha 74.29205336
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Mn4As8O28Os
_chemical_formula_sum "Mn4 As8 O28 Os1"
_cell_length_a 9.313185
_cell_length_b 6.942376
_cell_length_c 9.63071261
_cell_angle_alpha 74.29205336
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | e0682ea6-fac6-46db-a720-1454a102ed6c | mp-20268 | Insert a H atom in the line between atoms at indices 7 and 5, and the inserted atom must be 2.49 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ti4Ge4Pd4
_chemical_formula_sum "Ti4 Ge4 Pd4"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.99999966999998
... | data_image0
_chemical_formula_structural Ti4Ge4Pd4H
_chemical_formula_sum "Ti4 Ge4 Pd4 H1"
_cell_length_a 3.84471038
_cell_length_b 6.4022481
_cell_length_c 7.552176479999999
_cell_angle_alpha 89.99749709
_cell_angle_beta 89.99999969999999
_cell_angle_gamma 89.999999669999... |
InsertBetweenAtomsAction | 427666bd-385a-4a5a-b65d-5df11a2b9729 | mp-1175472 | Insert a W atom in the line between atoms at indices 24 and 1, and the inserted atom must be 0.62 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 2.929473
_cell_length_b 10.104921899999999
_cell_length_c 10.657468350000002
_cell_angle_alpha 113.67183449
_cell_angle_beta 96.31317624
_cell_angle_gamma 91.00675862
_sp... | data_image0
_chemical_formula_structural Li9Co7O16W
_chemical_formula_sum "Li9 Co7 O16 W1"
_cell_length_a 2.929473
_cell_length_b 10.104921899999999
_cell_length_c 10.657468350000002
_cell_angle_alpha 113.67183449
_cell_angle_beta 96.31317624
_cell_angle_gamma 91.00675862
... |
InsertBetweenAtomsAction | 3b962de5-c3da-4bbd-9de2-da9c769b8a21 | mp-756744 | Insert a Ce atom in the line between atoms at indices 10 and 6, and the inserted atom must be 1.99 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li6Co6B6O18
_chemical_formula_sum "Li6 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... | data_image0
_chemical_formula_structural Li6Co6B6O18Ce
_chemical_formula_sum "Li6 Co6 B6 O18 Ce1"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04... |
InsertBetweenAtomsAction | d1839717-f2a5-4a7b-b3b3-a871c0251803 | mp-694554 | Insert a Cu atom in the line between atoms at indices 28 and 26, and the inserted atom must be 6.94 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Mn6P8O28
_chemical_formula_sum "Mn6 P8 O28"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn6P8O28Cu
_chemical_formula_sum "Mn6 P8 O28 Cu1"
_cell_length_a 8.07117758
_cell_length_b 7.08445815
_cell_length_c 9.39182409
_cell_angle_alpha 70.02909736999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 0568adde-3fa9-47ef-b7ec-53cad3913901 | mp-555962 | Insert a Tb atom in the line between atoms at indices 34 and 10, and the inserted atom must be 2.81 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Li4Mo4As4O24
_chemical_formula_sum "Li4 Mo4 As4 O24"
_cell_length_a 8.706939
_cell_length_b 5.233513
_cell_length_c 10.498664750000001
_cell_angle_alpha 84.81432494
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li4Mo4As4O24Tb
_chemical_formula_sum "Li4 Mo4 As4 O24 Tb1"
_cell_length_a 8.706939
_cell_length_b 5.233513
_cell_length_c 10.498664750000001
_cell_angle_alpha 84.81432494
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | 9529229d-b365-4f33-9392-5b2b42698d90 | mp-1308402 | Insert a P atom in the line between atoms at indices 23 and 26, and the inserted atom must be 0.99 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Li4Fe6Te2O16
_chemical_formula_sum "Li4 Fe6 Te2 O16"
_cell_length_a 6.06333119
_cell_length_b 6.1395649400000005
_cell_length_c 10.50708889
_cell_angle_alpha 106.15201001
_cell_angle_beta 89.82988352000001
_cell_angle_gamma 61.09403... | data_image0
_chemical_formula_structural Li4Fe6Te2O16P
_chemical_formula_sum "Li4 Fe6 Te2 O16 P1"
_cell_length_a 6.06333119
_cell_length_b 6.1395649400000005
_cell_length_c 10.50708889
_cell_angle_alpha 106.15201001
_cell_angle_beta 89.82988352000001
_cell_angle_gamma 61.0... |
InsertBetweenAtomsAction | 33a75601-d0d6-4532-bbce-5306ab99fd6d | mp-1176443 | Insert a Os atom in the line between atoms at indices 6 and 27, and the inserted atom must be 3.00 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mn4Fe4B4O16
_chemical_formula_sum "Mn4 Fe4 B4 O16"
_cell_length_a 3.206634
_cell_length_b 9.582481
_cell_length_c 9.674115
_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 Mn4Fe4B4O16Os
_chemical_formula_sum "Mn4 Fe4 B4 O16 Os1"
_cell_length_a 3.206634
_cell_length_b 9.582481
_cell_length_c 9.674115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 66fceddb-1452-4073-adc7-d48d4f8f0073 | mp-637866 | Insert a U atom in the line between atoms at indices 1 and 17, and the inserted atom must be 9.83 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Sc9Ni5Ge8
_chemical_formula_sum "Sc9 Ni5 Ge8"
_cell_length_a 11.59931793
_cell_length_b 11.59931793
_cell_length_c 11.59931793
_cell_angle_alpha 160.52948716
_cell_angle_beta 133.95113753999996
_cell_angle_gamma 50.442088160000004
... | data_image0
_chemical_formula_structural Sc9Ni5Ge8U
_chemical_formula_sum "Sc9 Ni5 Ge8 U1"
_cell_length_a 11.59931793
_cell_length_b 11.59931793
_cell_length_c 11.59931793
_cell_angle_alpha 160.52948716
_cell_angle_beta 133.95113753999996
_cell_angle_gamma 50.4420881600000... |
InsertBetweenAtomsAction | ff4b9143-7bbb-4139-bae5-4a1ceda1c402 | mp-30447 | Insert a Pr atom in the line between atoms at indices 24 and 6, and the inserted atom must be 3.50 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 Sr18Cd8Bi18Pr
_chemical_formula_sum "Sr18 Cd8 Bi18 Pr1"
_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
... |
InsertBetweenAtomsAction | 2d7f8825-cded-4958-8d80-ff2f4069e2b5 | mp-608595 | Insert a Og atom in the line between atoms at indices 13 and 3, and the inserted atom must be 0.82 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Na4Br4O12
_chemical_formula_sum "Na4 Br4 O12"
_cell_length_a 7.53683031
_cell_length_b 7.7492853
_cell_length_c 7.387425299999999
_cell_angle_alpha 89.94961561
_cell_angle_beta 89.69588643
_cell_angle_gamma 89.80975002000001
_space... | data_image0
_chemical_formula_structural Na4Br4O12Og
_chemical_formula_sum "Na4 Br4 O12 Og1"
_cell_length_a 7.53683031
_cell_length_b 7.7492853
_cell_length_c 7.387425299999999
_cell_angle_alpha 89.94961561
_cell_angle_beta 89.69588643
_cell_angle_gamma 89.80975002000001
... |
InsertBetweenAtomsAction | 38ef0399-1f61-42ff-a288-37451a7e98c9 | mp-27897 | Insert a Ar atom in the line between atoms at indices 17 and 27, and the inserted atom must be 0.61 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Ba4N8O16
_chemical_formula_sum "Ba4 N8 O16"
_cell_length_a 6.898551
_cell_length_b 7.830487
_cell_length_c 8.466593
_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 Ba4N8O16Ar
_chemical_formula_sum "Ba4 N8 O16 Ar1"
_cell_length_a 6.898551
_cell_length_b 7.830487
_cell_length_c 8.466593
_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 | 8f6de343-027c-41bf-9158-df0e47ec1749 | mp-1029743 | Insert a Rg atom in the line between atoms at indices 15 and 22, and the inserted atom must be 1.70 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Ba16Ge16N32
_chemical_formula_sum "Ba16 Ge16 N32"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_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 Ba16Ge16N32Rg
_chemical_formula_sum "Ba16 Ge16 N32 Rg1"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | be1d2f18-054c-408a-a6c7-ce8964161c1e | mp-831268 | Insert a I atom in the line between atoms at indices 47 and 30, and the inserted atom must be 6.92 angstrom from atom at 47 in the cif file. | data_image0
_chemical_formula_structural Mn2H24S4N4O20
_chemical_formula_sum "Mn2 H24 S4 N4 O20"
_cell_length_a 5.441139
_cell_length_b 6.252487
_cell_length_c 15.522820110000001
_cell_angle_alpha 87.56291691
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Mn2H24S4N4O20I
_chemical_formula_sum "Mn2 H24 S4 N4 O20 I1"
_cell_length_a 5.441139
_cell_length_b 6.252487
_cell_length_c 15.522820110000001
_cell_angle_alpha 87.56291691
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
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