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 |
|---|---|---|---|---|---|
MoveSelectedAtomsAction | a8a68fa8-aa35-4373-b87b-2ec7db157a72 | mp-849436 | Move atoms at indices [25, 19, 12, 1, 17] by [-1.515 -1.539 0.159] angstrom in the cif file. | data_image0
_chemical_formula_structural Na4Fe8O16
_chemical_formula_sum "Na4 Fe8 O16"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_space_grou... | data_image0
_chemical_formula_structural Na4Fe8O16
_chemical_formula_sum "Na4 Fe8 O16"
_cell_length_a 4.87663805
_cell_length_b 5.63360102
_cell_length_c 11.44362409
_cell_angle_alpha 90.00701889999999
_cell_angle_beta 89.98528238
_cell_angle_gamma 90.00346771
_space_grou... |
MoveSelectedAtomsAction | 94e0b09d-ba31-4107-b82f-91490887f902 | mp-1306534 | Move atoms at indices [13, 11, 7, 6, 5] by [-0.48 -2.58 -0.719] angstrom in the cif file. | data_image0
_chemical_formula_structural V2Cr4O8
_chemical_formula_sum "V2 Cr4 O8"
_cell_length_a 6.07895869
_cell_length_b 6.08379871
_cell_length_c 6.12704615
_cell_angle_alpha 59.93071830000001
_cell_angle_beta 119.20253117000001
_cell_angle_gamma 120.35283402999998
_s... | data_image0
_chemical_formula_structural V2Cr4O8
_chemical_formula_sum "V2 Cr4 O8"
_cell_length_a 6.07895869
_cell_length_b 6.08379871
_cell_length_c 6.12704615
_cell_angle_alpha 59.93071830000001
_cell_angle_beta 119.20253117000001
_cell_angle_gamma 120.35283402999998
_s... |
MoveSelectedAtomsAction | 388dd9f7-76c9-468b-a502-1539f9413a6d | mp-1106190 | Move atoms at indices [14, 8, 11, 1, 13, 2, 7, 4, 15, 5, 10, 9] by [-4.74 1.782 0.666] angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Ga12Ni
_chemical_formula_sum "Er4 Ga12 Ni1"
_cell_length_a 7.31613481
_cell_length_b 7.31613481
_cell_length_c 7.31613481
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Er4Ga12Ni
_chemical_formula_sum "Er4 Ga12 Ni1"
_cell_length_a 7.31613481
_cell_length_b 7.31613481
_cell_length_c 7.31613481
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... |
MoveSelectedAtomsAction | ce70052f-8a97-46ed-8216-99aa0113e178 | mp-1027627 | Move atoms at indices [6, 7, 5, 1] by [ 0.89 -0.742 -0.029] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2Mo4Se2S4
_chemical_formula_sum "Te2 Mo4 Se2 S4"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te2Mo4Se2S4
_chemical_formula_sum "Te2 Mo4 Se2 S4"
_cell_length_a 3.30911865
_cell_length_b 3.30911865
_cell_length_c 37.58381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001295
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 8def5dfa-bf7e-47d5-883c-1c634979348d | mp-695175 | Move atoms at indices [44, 10, 87, 15, 43, 86, 5, 95, 72, 56, 33, 79, 78, 34, 77, 26, 32, 4, 70, 2, 96, 61, 51, 71, 9, 45, 20, 47, 67, 81, 73, 29, 49, 48, 52, 11, 18, 0] by [ 0.055 -0.45 -2.943] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3Sr14Nd3Ti20O60
_chemical_formula_sum "Na3 Sr14 Nd3 Ti20 O60"
_cell_length_a 5.53353707
_cell_length_b 5.533537070000001
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.02449801
_space_g... | data_image0
_chemical_formula_structural Na3Sr14Nd3Ti20O60
_chemical_formula_sum "Na3 Sr14 Nd3 Ti20 O60"
_cell_length_a 5.53353707
_cell_length_b 5.533537070000001
_cell_length_c 39.484861
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.02449801
_space_g... |
MoveSelectedAtomsAction | 02c9b6c9-44cf-46ad-83d5-1d77e44d759e | mp-770527 | Move atoms at indices [15, 21, 26, 3, 29, 11, 1, 10, 14, 9] by [ 2.023 -0.654 -2.249] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn8O18
_chemical_formula_sum "Li4 Mn8 O18"
_cell_length_a 4.93901349
_cell_length_b 4.93901349
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li4Mn8O18
_chemical_formula_sum "Li4 Mn8 O18"
_cell_length_a 4.93901349
_cell_length_b 4.93901349
_cell_length_c 13.586927
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999311
_space_group_name_H-M_alt "P ... |
MoveSelectedAtomsAction | c86aac25-58b5-49d9-8ea4-f408fd0fdac9 | mp-885434 | Move atoms at indices [6, 1, 12, 10, 8, 9, 4, 3, 11, 2, 0, 13, 7] by [ 0.607 1.727 -0.552] angstrom in the cif file. | data_image0
_chemical_formula_structural K2Li4Fe2O6
_chemical_formula_sum "K2 Li4 Fe2 O6"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_gamma 73.42810532
_sp... | data_image0
_chemical_formula_structural K2Li4Fe2O6
_chemical_formula_sum "K2 Li4 Fe2 O6"
_cell_length_a 5.49476973
_cell_length_b 5.49476973
_cell_length_c 6.15100138
_cell_angle_alpha 89.91165704999999
_cell_angle_beta 89.91165704999999
_cell_angle_gamma 73.42810532
_sp... |
MoveSelectedAtomsAction | 8ea6d1a5-e146-4433-9d49-1faa0255dae0 | mp-755181 | Move atoms at indices [6, 8, 15, 7, 13, 3, 9, 5, 10, 4, 14, 0, 12, 2, 11] by [-2.173 -0.291 0.954] angstrom in the cif file. | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... |
MoveSelectedAtomsAction | aada272d-825d-447a-a914-0c061fbaa81a | mp-573073 | Move atoms at indices [5, 39, 35, 18, 57, 24, 52, 49, 20, 28, 7, 41, 62, 53, 13, 3, 9, 56, 51, 15, 0, 23, 8, 22, 16, 4, 58, 43, 50, 37, 1, 25, 38, 21, 34, 12, 60, 32, 40, 17, 46, 6, 36, 11, 54, 27, 48, 42, 26, 44, 2, 10, 33, 31, 61, 45] by [-0.832 -0.738 0.079] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural Cs14Cu12F38
_chemical_formula_sum "Cs14 Cu12 F38"
_cell_length_a 6.25390924
_cell_length_b 11.44072763
_cell_length_c 15.851694559999999
_cell_angle_alpha 82.62092964000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
MoveSelectedAtomsAction | fc059930-8752-4a6a-8075-25af932296b4 | mp-1095343 | Move atoms at indices [1, 4, 6, 7, 8, 5] by [-0.678 -1.95 2.287] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Mg6Si2
_chemical_formula_sum "Ca4 Mg6 Si2"
_cell_length_a 6.05656735
_cell_length_b 6.05656735
_cell_length_c 9.461633
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999293
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ca4Mg6Si2
_chemical_formula_sum "Ca4 Mg6 Si2"
_cell_length_a 6.05656735
_cell_length_b 6.05656735
_cell_length_c 9.461633
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999293
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 761b91e5-1951-4594-b989-81b725d1c10c | mp-861293 | Move atoms at indices [7, 4, 2, 26, 24] by [3.201 2.437 3.887] angstrom in the cif file. | data_image0
_chemical_formula_structural Li16Ni2O8F4
_chemical_formula_sum "Li16 Ni2 O8 F4"
_cell_length_a 5.43993172
_cell_length_b 5.18163322
_cell_length_c 10.51516735
_cell_angle_alpha 79.76806078
_cell_angle_beta 76.84242325
_cell_angle_gamma 63.99654066
_space_group... | data_image0
_chemical_formula_structural Li16Ni2O8F4
_chemical_formula_sum "Li16 Ni2 O8 F4"
_cell_length_a 5.43993172
_cell_length_b 5.18163322
_cell_length_c 10.51516735
_cell_angle_alpha 79.76806078
_cell_angle_beta 76.84242325
_cell_angle_gamma 63.99654066
_space_group... |
MoveSelectedAtomsAction | c1c98a08-f0a3-4ded-8ab9-b41f41350c4d | mp-989647 | Move atoms at indices [8, 6, 12, 3, 7, 18, 1, 5, 11, 17, 13, 10, 16, 19, 14, 9] by [-0.661 2.77 -0.044] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveSelectedAtomsAction | d23cae38-b1d8-465e-aeab-38982036088c | mp-776680 | Move atoms at indices [29, 4, 35, 15, 8, 17, 21, 28] by [ 1.614 -0.203 -2.347] angstrom in the cif file. | data_image0
_chemical_formula_structural TiMn2Ni3P6O24
_chemical_formula_sum "Ti1 Mn2 Ni3 P6 O24"
_cell_length_a 8.55608297
_cell_length_b 8.55608297
_cell_length_c 8.55608298
_cell_angle_alpha 60.853267769999995
_cell_angle_beta 60.853267769999995
_cell_angle_gamma 60.853... | data_image0
_chemical_formula_structural TiMn2Ni3P6O24
_chemical_formula_sum "Ti1 Mn2 Ni3 P6 O24"
_cell_length_a 8.55608297
_cell_length_b 8.55608297
_cell_length_c 8.55608298
_cell_angle_alpha 60.853267769999995
_cell_angle_beta 60.853267769999995
_cell_angle_gamma 60.853... |
MoveSelectedAtomsAction | 0dc71732-6e59-4644-9602-6a59912f4f61 | mp-756803 | Move atoms at indices [12, 9, 10, 6, 8, 5, 1, 15, 0, 14] by [ 3.443 1.35 -0.111] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Fe4NiO8
_chemical_formula_sum "Li3 Fe4 Ni1 O8"
_cell_length_a 5.99879997
_cell_length_b 5.99879997
_cell_length_c 5.98749598
_cell_angle_alpha 60.26840743
_cell_angle_beta 60.26840743
_cell_angle_gamma 59.43487156
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe4NiO8
_chemical_formula_sum "Li3 Fe4 Ni1 O8"
_cell_length_a 5.99879997
_cell_length_b 5.99879997
_cell_length_c 5.98749598
_cell_angle_alpha 60.26840743
_cell_angle_beta 60.26840743
_cell_angle_gamma 59.43487156
_space_group_n... |
MoveSelectedAtomsAction | 31606782-43d9-41b9-946b-7571a60fc5ff | mp-1111700 | Move atoms at indices [4, 3, 1, 9, 2, 5, 0, 6] by [-0.58 1.184 -0.552] angstrom in the cif file. | data_image0
_chemical_formula_structural Na3TlBr6
_chemical_formula_sum "Na3 Tl1 Br6"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Na3TlBr6
_chemical_formula_sum "Na3 Tl1 Br6"
_cell_length_a 7.95609256
_cell_length_b 7.95609256
_cell_length_c 7.95609256
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... |
MoveSelectedAtomsAction | 46cb1c21-27c8-44fb-bed6-6d8fbe31b30d | mp-1232277 | Move atoms at indices [18, 23, 7, 27, 29, 14] by [-1.845 -1.564 1.213] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm6Mg6S18
_chemical_formula_sum "Sm6 Mg6 S18"
_cell_length_a 6.855687
_cell_length_b 6.85568666
_cell_length_c 17.754389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999680999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sm6Mg6S18
_chemical_formula_sum "Sm6 Mg6 S18"
_cell_length_a 6.855687
_cell_length_b 6.85568666
_cell_length_c 17.754389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999680999998
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 3867d94e-b27d-419d-b14a-1278f2c52c81 | mp-554072 | Move atoms at indices [8, 10, 1] by [0.994 2.677 0.565] angstrom in the cif file. | data_image0
_chemical_formula_structural K4C2O6
_chemical_formula_sum "K4 C2 O6"
_cell_length_a 5.59586248
_cell_length_b 5.74233989
_cell_length_c 6.7059935
_cell_angle_alpha 84.65593184
_cell_angle_beta 78.98018179
_cell_angle_gamma 60.840285819999984
_space_group_name_... | data_image0
_chemical_formula_structural K4C2O6
_chemical_formula_sum "K4 C2 O6"
_cell_length_a 5.59586248
_cell_length_b 5.74233989
_cell_length_c 6.7059935
_cell_angle_alpha 84.65593184
_cell_angle_beta 78.98018179
_cell_angle_gamma 60.840285819999984
_space_group_name_... |
MoveSelectedAtomsAction | f9bf5124-9447-4bce-ae4c-9f34f4db0cb5 | mp-1029153 | Move atoms at indices [6, 1, 8, 2, 0, 4, 3, 11] by [ 5.112 -2.045 2.107] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_... |
MoveSelectedAtomsAction | 06def374-05e4-4cda-b8e0-f908c65dcde1 | mp-997504 | Move atoms at indices [5, 3, 12, 11, 10, 1, 15, 13, 14, 0, 16, 7, 17, 4, 6, 8, 2, 9] by [ 1.956 -1.842 0.214] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu6O2F10
_chemical_formula_sum "Cu6 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_spac... | data_image0
_chemical_formula_structural Cu6O2F10
_chemical_formula_sum "Cu6 O2 F10"
_cell_length_a 7.54065713
_cell_length_b 5.535047279999999
_cell_length_c 5.38770919
_cell_angle_alpha 70.58667508
_cell_angle_beta 107.75736870000001
_cell_angle_gamma 106.39862776
_spac... |
MoveSelectedAtomsAction | 5be27c42-6ed1-4f7b-8dd2-30a706c110ab | mp-2241417 | Move atoms at indices [11] by [ 3.532 -0.365 -0.108] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2MgMn2O8
_chemical_formula_sum "Na2 Mg1 Mn2 O8"
_cell_length_a 5.73591922
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_group_name_H-M... | data_image0
_chemical_formula_structural Na2MgMn2O8
_chemical_formula_sum "Na2 Mg1 Mn2 O8"
_cell_length_a 5.73591922
_cell_length_b 5.73591922
_cell_length_c 7.55996077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 57.525083220000006
_space_group_name_H-M... |
MoveSelectedAtomsAction | feae5560-1c32-4dec-a572-d43e863d6381 | mp-2230732 | Move atoms at indices [3, 7, 18, 14, 2, 8, 15] by [ 1.649 0.781 -1.506] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe6O11F
_chemical_formula_sum "Mg1 Fe6 O11 F1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_group_na... | data_image0
_chemical_formula_structural MgFe6O11F
_chemical_formula_sum "Mg1 Fe6 O11 F1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_group_na... |
MoveSelectedAtomsAction | aeb631ad-fe6c-4251-aada-bba31bbe7501 | mp-561176 | Move atoms at indices [47, 57, 7, 18, 14, 61, 42, 11, 13, 1, 5] by [ 1.645 -1.332 1.347] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb8P4O4F52
_chemical_formula_sum "Sb8 P4 O4 F52"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb8P4O4F52
_chemical_formula_sum "Sb8 P4 O4 F52"
_cell_length_a 15.0466
_cell_length_b 7.469936
_cell_length_c 10.5737995
_cell_angle_alpha 82.54533753999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | 61e67057-5009-410a-b2e9-1a93b416e1da | mp-759285 | Move atoms at indices [25] by [-3.919 -1.515 1.524] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe7O2F14
_chemical_formula_sum "Li4 Fe7 O2 F14"
_cell_length_a 6.187905
_cell_length_b 6.22051538
_cell_length_c 10.776466370000001
_cell_angle_alpha 91.03348126
_cell_angle_beta 105.74202947
_cell_angle_gamma 119.43502851
_spac... | data_image0
_chemical_formula_structural Li4Fe7O2F14
_chemical_formula_sum "Li4 Fe7 O2 F14"
_cell_length_a 6.187905
_cell_length_b 6.22051538
_cell_length_c 10.776466370000001
_cell_angle_alpha 91.03348126
_cell_angle_beta 105.74202947
_cell_angle_gamma 119.43502851
_spac... |
MoveSelectedAtomsAction | 09af44e5-d388-423a-8d01-0fca974872d9 | mp-1046918 | Move atoms at indices [7, 9, 11, 5, 8, 14, 12, 13, 6, 0, 3, 15, 2, 10] by [-0.361 -0.135 -1.623] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Ti4O8
_chemical_formula_sum "Ca4 Ti4 O8"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_group_na... | data_image0
_chemical_formula_structural Ca4Ti4O8
_chemical_formula_sum "Ca4 Ti4 O8"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_group_na... |
MoveSelectedAtomsAction | 22595ea6-e4d5-4678-99bd-9614d395fc66 | mp-1246600 | Move atoms at indices [6, 3, 4, 10, 13, 12, 2, 5, 7] by [ 1.388 2.292 -1.869] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Cu2N6
_chemical_formula_sum "Ba6 Cu2 N6"
_cell_length_a 8.09362701
_cell_length_b 8.09295231
_cell_length_c 5.704156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99708753
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ba6Cu2N6
_chemical_formula_sum "Ba6 Cu2 N6"
_cell_length_a 8.09362701
_cell_length_b 8.09295231
_cell_length_c 5.704156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99708753
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 70ac4226-ce53-4ad2-b8cb-21508b79bed9 | mp-571569 | Move atoms at indices [22, 8, 5, 24, 15, 19, 4, 12, 16, 9, 3, 6, 14, 7, 1, 25] by [-4.581 -0.34 -1.667] angstrom in the cif file. | data_image0
_chemical_formula_structural Cd9I18
_chemical_formula_sum "Cd9 I18"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 64.37281574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd9I18
_chemical_formula_sum "Cd9 I18"
_cell_length_a 4.28636008
_cell_length_b 4.28635996
_cell_length_c 64.37281574
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000093000001
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | c93dad73-591c-4592-a507-e35ada2c64a2 | mp-772150 | Move atoms at indices [64, 71, 62, 50, 35, 56, 14, 70, 21, 34, 3, 4, 60, 25, 40, 53, 13, 20, 54, 41, 63, 42, 28, 8, 45, 1, 48, 15, 0, 49, 43, 17, 5, 67, 65, 55, 12, 51, 66, 47, 36, 7, 32, 16, 57, 6, 22, 33, 19, 68, 11, 30, 37, 18, 72, 29, 44, 52, 2, 27, 46, 10, 58] by [ 1.38 -1.262 1.048] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Ti26O44
_chemical_formula_sum "Li4 Ti26 O44"
_cell_length_a 7.67994716
_cell_length_b 7.67994716
_cell_length_c 14.056681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.84195336
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ti26O44
_chemical_formula_sum "Li4 Ti26 O44"
_cell_length_a 7.67994716
_cell_length_b 7.67994716
_cell_length_c 14.056681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 97.84195336
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 33bc5d2b-e2ec-4f57-bf0e-5e3091570dd1 | mp-2232113 | Move atoms at indices [13, 2, 12, 5, 0, 14, 4] by [-0.751 0.935 -0.27 ] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe4Hg2O8
_chemical_formula_sum "Mg1 Fe4 Hg2 O8"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.64590332
... | data_image0
_chemical_formula_structural MgFe4Hg2O8
_chemical_formula_sum "Mg1 Fe4 Hg2 O8"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.64590332
... |
MoveSelectedAtomsAction | 3859ed8b-5378-4d6a-bda3-0b1c36d12c4e | mp-766004 | Move atoms at indices [42, 19, 3, 5, 13, 43, 10, 27, 7, 24, 4, 25, 2, 6, 23, 17, 20, 11, 9, 15, 35, 1, 16, 31, 22, 34, 36, 18, 28, 12, 32, 8, 39, 40, 38, 14, 41, 29, 37, 26, 0, 21, 30, 33] by [-3.066 2.758 -2.136] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.00009645
_sp... | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.00009645
_sp... |
MoveSelectedAtomsAction | 7d91c579-5ef9-4833-9c27-5800f5d654fa | mp-2230732 | Move atoms at indices [17, 1, 7, 8, 10, 5, 12, 15, 13, 6, 11, 16] by [-1.153 -2.798 -0.122] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe6O11F
_chemical_formula_sum "Mg1 Fe6 O11 F1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_group_na... | data_image0
_chemical_formula_structural MgFe6O11F
_chemical_formula_sum "Mg1 Fe6 O11 F1"
_cell_length_a 4.85946056
_cell_length_b 7.45549383
_cell_length_c 5.51926505
_cell_angle_alpha 95.12245838
_cell_angle_beta 91.52087611
_cell_angle_gamma 88.62284776
_space_group_na... |
MoveSelectedAtomsAction | 6cd8b8b3-1ce5-402c-852d-b28ea57857a8 | mp-2713621 | Move atoms at indices [43, 9, 48, 54, 46, 44, 27, 49, 32, 74, 13, 38, 36, 52, 59, 63, 6, 66, 73, 45, 78] by [-2.42 2.67 2.018] angstrom in the cif file. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... |
MoveSelectedAtomsAction | fdc2e336-e54b-4c01-bf12-54d71f5f3cc1 | mp-1207428 | Move atoms at indices [3, 7, 9, 0, 8, 2, 1, 11, 10, 4, 5, 6] by [ 1.263 -7.136 -0.356] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_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 Zr4Ni4As4
_chemical_formula_sum "Zr4 Ni4 As4"
_cell_length_a 3.87754837
_cell_length_b 6.50261482
_cell_length_c 7.28609464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveSelectedAtomsAction | 4656ee6f-34b8-4e9d-a278-7ec3401d43ea | mp-1194492 | Move atoms at indices [0, 19, 2, 18, 14, 10, 7, 1, 16, 15, 11, 21, 24, 12, 4, 9, 13, 23, 25, 5, 17, 8, 6, 20, 3, 22] by [ 0.214 -7.045 -5.276] angstrom 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 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... |
MoveSelectedAtomsAction | 2260bd0b-51ad-4b3f-a286-0b3045611d74 | mp-850445 | Move atoms at indices [14, 75, 16, 8, 40, 21, 53, 20, 22, 17, 63, 12, 10, 65, 42, 0, 9, 81, 79, 64, 70, 39, 7, 37, 35, 34, 49, 28, 46, 67, 4, 78, 45, 71, 32, 36, 80, 62, 44, 52, 23, 74, 48, 2, 58, 33, 19, 76, 61, 1, 77, 13, 30, 6, 73] by [ 2.788 0.707 -3.103] angstrom in the cif file. | data_image0
_chemical_formula_structural Na6Zn8As6H24O38
_chemical_formula_sum "Na6 Zn8 As6 H24 O38"
_cell_length_a 10.99717487
_cell_length_b 10.99717487
_cell_length_c 10.99717513
_cell_angle_alpha 60.66908433
_cell_angle_beta 60.66908433
_cell_angle_gamma 60.66908747999... | data_image0
_chemical_formula_structural Na6Zn8As6H24O38
_chemical_formula_sum "Na6 Zn8 As6 H24 O38"
_cell_length_a 10.99717487
_cell_length_b 10.99717487
_cell_length_c 10.99717513
_cell_angle_alpha 60.66908433
_cell_angle_beta 60.66908433
_cell_angle_gamma 60.66908747999... |
MoveSelectedAtomsAction | 9fa43b3b-0578-46c7-a766-55afd77e8618 | mp-772149 | Move atoms at indices [10, 40, 21, 24, 31, 43, 34, 27, 22, 32] by [-0.2 -0.994 -0.989] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm8Ge8O28
_chemical_formula_sum "Sm8 Ge8 O28"
_cell_length_a 6.90826558
_cell_length_b 6.90239741
_cell_length_c 12.435522049999998
_cell_angle_alpha 93.65715325999999
_cell_angle_beta 91.28990938
_cell_angle_gamma 91.89077831
_spa... | data_image0
_chemical_formula_structural Sm8Ge8O28
_chemical_formula_sum "Sm8 Ge8 O28"
_cell_length_a 6.90826558
_cell_length_b 6.90239741
_cell_length_c 12.435522049999998
_cell_angle_alpha 93.65715325999999
_cell_angle_beta 91.28990938
_cell_angle_gamma 91.89077831
_spa... |
MoveSelectedAtomsAction | da9e4d6a-018e-44ea-acb2-98efeb71dda4 | mp-28481 | Move atoms at indices [34, 1, 37, 25, 13, 30, 20, 27, 31, 14, 7, 36, 11, 15, 12, 2, 41, 23, 35, 8, 17, 3, 0, 29, 33, 9, 39, 5, 26, 38, 10, 32, 4, 6, 21] by [3.523 0.788 1.721] angstrom 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 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_... |
MoveSelectedAtomsAction | 68d2d8c8-8af1-48ae-8ebc-2af91718813d | mp-765641 | Move atoms at indices [20, 6, 54, 8, 37, 10, 42, 4, 33, 24, 51, 43, 11, 34, 40, 27, 12, 16, 13, 17, 28, 18, 15, 21, 45, 23, 31, 46, 53, 49, 5, 50, 32, 7, 1, 25] by [ 0.725 1.612 -1.663] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | 73d78474-2ff2-4620-bf0e-b99cdbb7e978 | mp-1192384 | Move atoms at indices [19, 18, 17, 23, 4, 16, 20, 9, 2, 24, 3, 0, 13, 27, 25, 6, 11, 1, 21] by [-0.308 0.78 2.704] angstrom in the cif file. | data_image0
_chemical_formula_structural Dy4W4Br4O16
_chemical_formula_sum "Dy4 W4 Br4 O16"
_cell_length_a 6.994129
_cell_length_b 7.32133539
_cell_length_c 11.08389912
_cell_angle_alpha 104.39430596000001
_cell_angle_beta 107.88295586
_cell_angle_gamma 93.82427121
_space... | data_image0
_chemical_formula_structural Dy4W4Br4O16
_chemical_formula_sum "Dy4 W4 Br4 O16"
_cell_length_a 6.994129
_cell_length_b 7.32133539
_cell_length_c 11.08389912
_cell_angle_alpha 104.39430596000001
_cell_angle_beta 107.88295586
_cell_angle_gamma 93.82427121
_space... |
MoveSelectedAtomsAction | a3ea18c9-f313-42db-a114-aa6e865db442 | mp-1200475 | Move atoms at indices [25, 40, 20] by [2.409 0.135 1.684] angstrom in the cif file. | data_image0
_chemical_formula_structural U2B16O34
_chemical_formula_sum "U2 B16 O34"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_space_grou... | data_image0
_chemical_formula_structural U2B16O34
_chemical_formula_sum "U2 B16 O34"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_space_grou... |
MoveSelectedAtomsAction | 33749a84-1dbc-4674-a06f-74cfebf01bca | mp-1205859 | Move atoms at indices [0, 3, 7, 1, 9, 4, 5, 6, 8] by [ 2.04 -0.503 2.083] angstrom in the cif file. | data_image0
_chemical_formula_structural KRb2PdF6
_chemical_formula_sum "K1 Rb2 Pd1 F6"
_cell_length_a 6.383033
_cell_length_b 6.383033
_cell_length_c 6.53945419
_cell_angle_alpha 119.21184546000002
_cell_angle_beta 119.21184546000002
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural KRb2PdF6
_chemical_formula_sum "K1 Rb2 Pd1 F6"
_cell_length_a 6.383033
_cell_length_b 6.383033
_cell_length_c 6.53945419
_cell_angle_alpha 119.21184546000002
_cell_angle_beta 119.21184546000002
_cell_angle_gamma 90.0
_space_group_n... |
MoveSelectedAtomsAction | 9c122945-a5df-41cc-8092-69f053ab1e5a | mp-1233985 | Move atoms at indices [41, 7, 33, 29, 17, 22, 31, 19, 18, 42, 10, 4, 16, 14, 35, 25, 11, 12, 15, 32, 8, 6, 1, 13, 26, 0, 21, 20, 30, 5, 27] by [ 2.686 -0.074 -2.3 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba10MgAs6Cl2O24
_chemical_formula_sum "Ba10 Mg1 As6 Cl2 O24"
_cell_length_a 10.77824621
_cell_length_b 10.77414381
_cell_length_c 8.31184086
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.07563411999999
_space_g... | data_image0
_chemical_formula_structural Ba10MgAs6Cl2O24
_chemical_formula_sum "Ba10 Mg1 As6 Cl2 O24"
_cell_length_a 10.77824621
_cell_length_b 10.77414381
_cell_length_c 8.31184086
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.07563411999999
_space_g... |
MoveSelectedAtomsAction | 948a175d-4bc8-4bd6-bdca-08b4d9262ccd | mp-762220 | Move atoms at indices [31, 55, 30, 49, 35, 53, 36, 9, 29, 37, 42, 23, 28, 41, 43, 2, 39, 8, 38, 10, 17, 47, 12, 33, 51, 16] by [ 3.253 -1.464 2.03 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Cu8P8O32
_chemical_formula_sum "Li8 Cu8 P8 O32"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_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 Li8Cu8P8O32
_chemical_formula_sum "Li8 Cu8 P8 O32"
_cell_length_a 5.471277
_cell_length_b 7.589947
_cell_length_c 15.418015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveSelectedAtomsAction | b2f321b2-7900-4574-a513-510b8fa5080b | mp-1191086 | Move atoms at indices [15, 14, 16, 4, 0, 11, 5, 10, 1, 6, 3] by [-0.643 -0.147 -2.218] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... |
MoveSelectedAtomsAction | 474816ba-489b-4c1b-9f0a-ef76ba692a29 | mp-754801 | Move atoms at indices [18, 14, 13, 9, 15, 10, 3, 19, 8, 12, 7, 16, 17, 4, 21, 6] by [ 0.522 -2.679 1.991] angstrom in the cif file. | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... | data_image0
_chemical_formula_structural Li3Ti6O13
_chemical_formula_sum "Li3 Ti6 O13"
_cell_length_a 6.33971566
_cell_length_b 6.33971566
_cell_length_c 10.51469228
_cell_angle_alpha 79.81631376
_cell_angle_beta 79.81631376
_cell_angle_gamma 36.54374927999999
_space_grou... |
MoveSelectedAtomsAction | 1e863a45-3a62-4323-863b-4090841b2383 | mp-540267 | Move atoms at indices [0, 6, 15, 3, 16, 10, 18, 13, 17, 12, 19, 4, 11, 2, 7, 8, 14] by [ 3.736 0.646 -2.011] angstrom 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 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... |
MoveSelectedAtomsAction | 9fd2a006-bec7-412a-b0cc-cef122f24cee | mp-11609 | Move atoms at indices [0] by [-2.179 -2.938 -0.612] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 2b13c8d1-a236-4804-ba9e-8ce63349c7ad | mp-753734 | Move atoms at indices [8, 2, 17, 16, 15, 12, 0, 4, 10, 1, 13, 5, 3, 6, 7] by [ 3.287 -0.44 -1.08 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn4Cr2O12
_chemical_formula_sum "Mn4 Cr2 O12"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mn4Cr2O12
_chemical_formula_sum "Mn4 Cr2 O12"
_cell_length_a 5.07693485
_cell_length_b 5.07693485
_cell_length_c 9.610523
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19455249
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | 788537fe-1f7d-474e-a43b-47daa8d18846 | mp-24473 | Move atoms at indices [11, 9, 18, 14, 23, 40, 21, 19, 26, 6, 27, 28, 2, 16, 36, 3, 22, 25, 10, 12, 33, 0, 5, 4, 37, 39, 43, 24, 15, 42, 35, 1] by [0.311 2.844 0.907] angstrom 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 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 ... |
MoveSelectedAtomsAction | e589ad23-32be-4997-a371-6bbd892ac339 | mp-2230050 | Move atoms at indices [1, 5, 2, 9] by [ 0.032 -0.425 -2.073] angstrom in the cif file. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335
_spa... | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.29770932
_cell_length_b 5.34074208
_cell_length_c 8.859214550000003
_cell_angle_alpha 87.20145085000001
_cell_angle_beta 92.1387507
_cell_angle_gamma 89.35857335
_spa... |
MoveSelectedAtomsAction | 4e3260e4-c3b9-496f-a526-e488f67fde78 | mp-1516542 | Move atoms at indices [8, 6, 2, 0, 9, 3, 4, 7] by [ 0.143 0.966 -3.432] angstrom in the cif file. | data_image0
_chemical_formula_structural BaCaCeNbO6
_chemical_formula_sum "Ba1 Ca1 Ce1 Nb1 O6"
_cell_length_a 6.07376453
_cell_length_b 6.07376453
_cell_length_c 6.07376453
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural BaCaCeNbO6
_chemical_formula_sum "Ba1 Ca1 Ce1 Nb1 O6"
_cell_length_a 6.07376453
_cell_length_b 6.07376453
_cell_length_c 6.07376453
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
MoveSelectedAtomsAction | 346ab765-12c8-4439-89d5-ba9db201425c | mp-553374 | Move atoms at indices [8, 5] by [ 1.019 0.508 -2.051] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Sb2O5
_chemical_formula_sum "Cs4 Sb2 O5"
_cell_length_a 6.37456796
_cell_length_b 6.37457746
_cell_length_c 8.16299331
_cell_angle_alpha 82.39049071
_cell_angle_beta 82.39056568
_cell_angle_gamma 66.18520179
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs4Sb2O5
_chemical_formula_sum "Cs4 Sb2 O5"
_cell_length_a 6.37456796
_cell_length_b 6.37457746
_cell_length_c 8.16299331
_cell_angle_alpha 82.39049071
_cell_angle_beta 82.39056568
_cell_angle_gamma 66.18520179
_space_group_name_H-... |
MoveSelectedAtomsAction | 1ad0187f-6214-41ae-b7ee-0d75204dfa45 | mp-1029063 | Move atoms at indices [10] by [-3.331 -0.388 1.408] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4
_chemical_formula_sum "Te2 Mo2 W2 Se2 S4"
_cell_length_a 3.30870784
_cell_length_b 3.3087078400000003
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_n... | data_image0
_chemical_formula_structural Te2Mo2W2Se2S4
_chemical_formula_sum "Te2 Mo2 W2 Se2 S4"
_cell_length_a 3.30870784
_cell_length_b 3.3087078400000003
_cell_length_c 37.645413
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_n... |
MoveSelectedAtomsAction | 3653a55d-6f2a-462b-901a-4bf7c9e3ce3a | mp-1228248 | Move atoms at indices [17, 2, 13, 18, 6, 5, 4, 20, 0, 28, 11, 29] by [ 1.415 -3.311 1.343] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4NdYCu8O16
_chemical_formula_sum "Ba4 Nd1 Y1 Cu8 O16"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_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 Ba4NdYCu8O16
_chemical_formula_sum "Ba4 Nd1 Y1 Cu8 O16"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
MoveSelectedAtomsAction | 9c02326e-a715-4b44-9569-c66b09b027c9 | mp-861986 | Move atoms at indices [15, 17, 1, 11, 13, 4, 8, 16, 2, 3, 9, 7, 10, 14, 18, 12, 0, 6, 5] by [-5.869 0.025 0.464] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr10Al4Ru6
_chemical_formula_sum "Pr10 Al4 Ru6"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Pr10Al4Ru6
_chemical_formula_sum "Pr10 Al4 Ru6"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... |
MoveSelectedAtomsAction | 1dc1686d-3bf3-4d42-a510-a417b3b22687 | mp-29717 | Move atoms at indices [51, 13, 81, 52, 71, 22, 15, 58, 3, 37, 16, 31, 8, 30, 33, 49, 57, 79] by [-1.903 -1.761 6.927] angstrom in the cif file. | data_image0
_chemical_formula_structural Ag4W24Br56
_chemical_formula_sum "Ag4 W24 Br56"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_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 Ag4W24Br56
_chemical_formula_sum "Ag4 W24 Br56"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveSelectedAtomsAction | c4d5c01d-0b19-42db-9902-fc1e2ddfecb2 | mp-1244893 | Move atoms at indices [19, 42, 22, 43, 36, 14, 3, 30, 25, 20, 11, 27, 24, 10, 39, 4, 38, 26, 12, 5, 15, 33, 0, 31, 40, 23, 17, 6, 29, 8, 32, 28, 41, 35, 18, 21, 2, 1, 37, 16] by [ 4.034 1.527 -1.095] angstrom in the cif file. | data_image0
_chemical_formula_structural Al32O12
_chemical_formula_sum "Al32 O12"
_cell_length_a 5.73023793
_cell_length_b 5.73829885
_cell_length_c 49.64508371
_cell_angle_alpha 92.01092030000001
_cell_angle_beta 91.56035934999998
_cell_angle_gamma 59.58455244000002
_spa... | data_image0
_chemical_formula_structural Al32O12
_chemical_formula_sum "Al32 O12"
_cell_length_a 5.73023793
_cell_length_b 5.73829885
_cell_length_c 49.64508371
_cell_angle_alpha 92.01092030000001
_cell_angle_beta 91.56035934999998
_cell_angle_gamma 59.58455244000002
_spa... |
MoveSelectedAtomsAction | ea236563-cb6c-47a7-9fdb-4d2b2ff7a0aa | mp-26220 | Move atoms at indices [4, 10, 2, 1, 9] by [-0.738 -4.149 2.246] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2P2O8
_chemical_formula_sum "Mn2 P2 O8"
_cell_length_a 4.72858699
_cell_length_b 4.72858125
_cell_length_c 6.571448999999999
_cell_angle_alpha 89.99848461
_cell_angle_beta 90.00121092999998
_cell_angle_gamma 68.34928989
_space_gr... | data_image0
_chemical_formula_structural Mn2P2O8
_chemical_formula_sum "Mn2 P2 O8"
_cell_length_a 4.72858699
_cell_length_b 4.72858125
_cell_length_c 6.571448999999999
_cell_angle_alpha 89.99848461
_cell_angle_beta 90.00121092999998
_cell_angle_gamma 68.34928989
_space_gr... |
MoveSelectedAtomsAction | 85ae5bd0-6140-49df-afe3-ff498032c423 | mp-1026887 | Move atoms at indices [12] by [2.965 2.056 2.205] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg14CuC
_chemical_formula_sum "Mg14 Cu1 C1"
_cell_length_a 6.14614547
_cell_length_b 6.146145009999999
_cell_length_c 9.85098463
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000243999999
_space_group_name_H-... | data_image0
_chemical_formula_structural Mg14CuC
_chemical_formula_sum "Mg14 Cu1 C1"
_cell_length_a 6.14614547
_cell_length_b 6.146145009999999
_cell_length_c 9.85098463
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000243999999
_space_group_name_H-... |
MoveSelectedAtomsAction | 8ac77744-ac35-4591-9c97-a8373f495f6d | mp-1208367 | Move atoms at indices [10, 15, 11, 30, 1, 26, 13, 32, 18, 35] by [-1.599 2.307 0.166] angstrom in the cif file. | data_image0
_chemical_formula_structural Th6Co8Sn26
_chemical_formula_sum "Th6 Co8 Sn26"
_cell_length_a 9.64449
_cell_length_b 9.64449
_cell_length_c 9.64449
_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 Th6Co8Sn26
_chemical_formula_sum "Th6 Co8 Sn26"
_cell_length_a 9.64449
_cell_length_b 9.64449
_cell_length_c 9.64449
_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... |
MoveSelectedAtomsAction | 57ff6bc9-94e7-459c-9c57-6dbe03e46696 | mp-1233593 | Move atoms at indices [17, 15, 6, 5, 0] by [ 3.499 -0.634 -0.04 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... | data_image0
_chemical_formula_structural Ho2MgAg2W4O16
_chemical_formula_sum "Ho2 Mg1 Ag2 W4 O16"
_cell_length_a 7.46856282
_cell_length_b 8.0684189
_cell_length_c 7.43717596
_cell_angle_alpha 95.01467005
_cell_angle_beta 111.79078315999999
_cell_angle_gamma 120.0378453399... |
MoveSelectedAtomsAction | 85e6b8e6-df1f-4876-a5e6-76490221db3f | mp-758323 | Move atoms at indices [19, 35, 11, 21, 18, 28, 0, 26, 32, 14, 13, 27, 2, 24, 12, 17, 5, 34, 7, 29, 8, 10, 16, 22, 23, 4, 20, 3] by [-0.948 -4.09 -0.432] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... |
MoveSelectedAtomsAction | 253f9a4a-af05-43fb-bb17-aa1c474d0269 | mp-1181784 | Move atoms at indices [2, 16, 0, 6, 14, 4, 15, 10, 12, 1, 18, 17, 7, 8, 3] by [ 4.112 -0.042 -2.002] angstrom in the cif file. | data_image0
_chemical_formula_structural K2MgMo2H4O10
_chemical_formula_sum "K2 Mg1 Mo2 H4 O10"
_cell_length_a 6.00896235
_cell_length_b 6.5502693999999995
_cell_length_c 7.9563935500000005
_cell_angle_alpha 111.39242719
_cell_angle_beta 96.77130034
_cell_angle_gamma 109.0... | data_image0
_chemical_formula_structural K2MgMo2H4O10
_chemical_formula_sum "K2 Mg1 Mo2 H4 O10"
_cell_length_a 6.00896235
_cell_length_b 6.5502693999999995
_cell_length_c 7.9563935500000005
_cell_angle_alpha 111.39242719
_cell_angle_beta 96.77130034
_cell_angle_gamma 109.0... |
MoveSelectedAtomsAction | 33d536f4-b54b-4f7b-b8bd-7f84de4d48c6 | mp-6192 | Move atoms at indices [6, 0, 8, 9, 3, 7, 1, 4, 5, 2] by [-0.178 1.197 1.864] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2DySbO6
_chemical_formula_sum "Ba2 Dy1 Sb1 O6"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... | data_image0
_chemical_formula_structural Ba2DySbO6
_chemical_formula_sum "Ba2 Dy1 Sb1 O6"
_cell_length_a 6.02709395
_cell_length_b 6.027093950000001
_cell_length_c 6.027093950000001
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... |
MoveSelectedAtomsAction | d1886eff-cfa9-4d2a-b331-0e5807b78c6f | mp-776235 | Move atoms at indices [14, 4] by [0.436 2.244 2.489] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr8N8O4
_chemical_formula_sum "Zr8 N8 O4"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_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 Zr8N8O4
_chemical_formula_sum "Zr8 N8 O4"
_cell_length_a 3.123818
_cell_length_b 5.575557
_cell_length_c 13.840907
_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_... |
MoveSelectedAtomsAction | b786e48c-0642-44ed-b8d0-bd2692c9d82b | mp-1206879 | Move atoms at indices [7, 5, 6, 1, 8] by [-0.643 -1.402 -0.032] angstrom in the cif file. | data_image0
_chemical_formula_structural K3AuF6
_chemical_formula_sum "K3 Au1 F6"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gro... | data_image0
_chemical_formula_structural K3AuF6
_chemical_formula_sum "K3 Au1 F6"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gro... |
MoveSelectedAtomsAction | 7fce02eb-dd09-4388-8876-50bd786676c0 | mp-756638 | Move atoms at indices [4, 3, 8] by [ 1.026 0.301 -1.262] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb2Rh2O8
_chemical_formula_sum "Nb2 Rh2 O8"
_cell_length_a 5.63372957
_cell_length_b 5.63372918
_cell_length_c 5.6337248
_cell_angle_alpha 106.66258274999998
_cell_angle_beta 106.66258935999998
_cell_angle_gamma 115.24752548999999
... | data_image0
_chemical_formula_structural Nb2Rh2O8
_chemical_formula_sum "Nb2 Rh2 O8"
_cell_length_a 5.63372957
_cell_length_b 5.63372918
_cell_length_c 5.6337248
_cell_angle_alpha 106.66258274999998
_cell_angle_beta 106.66258935999998
_cell_angle_gamma 115.24752548999999
... |
MoveSelectedAtomsAction | fb185c66-0801-408a-bb44-1035679022c8 | mp-567505 | Move atoms at indices [4, 13, 7, 3, 12, 9, 2, 8, 1, 6, 10, 15, 0, 5, 11] by [ 0.189 1.043 -0.276] angstrom in the cif file. | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... |
MoveSelectedAtomsAction | e73eb48b-1df1-4ec0-bdab-c1cf36f42cd5 | mp-755181 | Move atoms at indices [2, 0, 4, 13, 14, 3, 11, 6, 7, 1, 12, 8] by [ 0.125 1.405 -0.635] angstrom in the cif file. | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... | data_image0
_chemical_formula_structural V4O5F7
_chemical_formula_sum "V4 O5 F7"
_cell_length_a 5.12574628
_cell_length_b 5.22331207
_cell_length_c 8.79028543
_cell_angle_alpha 74.68223174
_cell_angle_beta 90.24159362
_cell_angle_gamma 60.52764890000001
_space_group_name_... |
MoveSelectedAtomsAction | cd2b4c9e-874b-4080-afe4-c88f8dddc00c | mp-559052 | Move atoms at indices [34, 2, 26, 20, 31, 1, 40, 10, 23, 5] by [-1.97 0.818 -6.554] angstrom 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 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... |
MoveSelectedAtomsAction | 9a50b288-854e-41fd-933e-38150a81d31f | mp-1095574 | Move atoms at indices [4] by [ 2.676 -2.518 2.567] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce4Ga4Ag4
_chemical_formula_sum "Ce4 Ga4 Ag4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Ce4Ga4Ag4
_chemical_formula_sum "Ce4 Ga4 Ag4"
_cell_length_a 4.682808
_cell_length_b 7.476301
_cell_length_c 7.790775
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveSelectedAtomsAction | 331eda3a-96bd-4146-bd8e-4b73ab08c569 | mp-1228452 | Move atoms at indices [16, 17, 2, 3, 22, 6, 27, 28, 26, 19, 12, 18, 25, 7, 14, 9, 10, 20, 8, 23, 24, 5, 21, 1, 15] by [-3.192 -2.88 0.816] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... |
MoveSelectedAtomsAction | 34dcdbe0-43df-4a81-b11a-6f9e1a41ff61 | mp-1203334 | Move atoms at indices [33, 42, 14, 19, 38, 40, 17, 13, 23, 3, 24, 21, 7, 52, 36, 25, 20, 34, 43, 32, 5, 41, 12, 37] by [-3.039 1.297 -0.526] angstrom in the cif file. | data_image0
_chemical_formula_structural B4P4H36N12
_chemical_formula_sum "B4 P4 H36 N12"
_cell_length_a 9.675927
_cell_length_b 6.254514
_cell_length_c 9.71787723
_cell_angle_alpha 78.65079318
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural B4P4H36N12
_chemical_formula_sum "B4 P4 H36 N12"
_cell_length_a 9.675927
_cell_length_b 6.254514
_cell_length_c 9.71787723
_cell_angle_alpha 78.65079318
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveSelectedAtomsAction | b1981655-8229-4a60-9be6-f061ef41ec05 | mp-753577 | Move atoms at indices [10, 22, 4] by [-1.086 -0.715 0.613] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Co4P4O16
_chemical_formula_sum "Li2 Co4 P4 O16"
_cell_length_a 5.48537801
_cell_length_b 7.78633755
_cell_length_c 8.53874691
_cell_angle_alpha 103.7206634
_cell_angle_beta 90.00693515
_cell_angle_gamma 89.99930069
_space_group_... | data_image0
_chemical_formula_structural Li2Co4P4O16
_chemical_formula_sum "Li2 Co4 P4 O16"
_cell_length_a 5.48537801
_cell_length_b 7.78633755
_cell_length_c 8.53874691
_cell_angle_alpha 103.7206634
_cell_angle_beta 90.00693515
_cell_angle_gamma 89.99930069
_space_group_... |
MoveSelectedAtomsAction | e6cda272-f322-4f0a-9444-99d4f839a21b | mp-758186 | Move atoms at indices [20, 2, 47, 29, 49, 39, 33, 40, 6, 54, 53, 27, 7, 4, 10, 34, 24, 38, 17, 44, 28, 5, 25, 15, 22, 30, 36, 14, 42, 16, 8, 26, 52, 3, 19, 11, 50, 37, 51, 35, 23, 9, 1, 13, 21, 41, 55, 43, 46, 31, 48, 0] by [ 0.81 -2.638 -1.661] angstrom in the cif file. | data_image0
_chemical_formula_structural Li12Fe4P8O32
_chemical_formula_sum "Li12 Fe4 P8 O32"
_cell_length_a 10.367151
_cell_length_b 8.217866
_cell_length_c 8.31371751
_cell_angle_alpha 74.95900952
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe4P8O32
_chemical_formula_sum "Li12 Fe4 P8 O32"
_cell_length_a 10.367151
_cell_length_b 8.217866
_cell_length_c 8.31371751
_cell_angle_alpha 74.95900952
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | cf2d9b60-703c-490b-9bf0-d250d0cfd600 | mp-1196543 | Move atoms at indices [45, 35, 37, 15, 20, 32, 41, 4, 46, 2, 48, 25, 43, 1, 14, 21, 40, 24, 17, 9, 39, 33, 42, 27, 38, 10, 30, 19, 5, 3, 34, 18, 16, 22, 12, 0, 6, 7, 29, 23, 44, 36, 11, 31, 28, 13, 8] by [ 3.047 -2.116 1.965] angstrom in the cif file. | data_image0
_chemical_formula_structural Ga40Mo8C
_chemical_formula_sum "Ga40 Mo8 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ga40Mo8C
_chemical_formula_sum "Ga40 Mo8 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_name_H-M... |
MoveSelectedAtomsAction | 340f8483-6ae2-4858-8a06-4ed14851637f | mp-625502 | Move atoms at indices [6, 1, 15, 3, 4, 17, 13, 12, 14, 2, 19, 21, 11, 16, 0, 9] by [1.267 0.626 2.95 ] angstrom in the cif file. | data_image0
_chemical_formula_structural H4W4O14
_chemical_formula_sum "H4 W4 O14"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.64479304999999
_s... | data_image0
_chemical_formula_structural H4W4O14
_chemical_formula_sum "H4 W4 O14"
_cell_length_a 7.35320502
_cell_length_b 7.35320502
_cell_length_c 7.35320502
_cell_angle_alpha 119.62842942999998
_cell_angle_beta 119.62842942999998
_cell_angle_gamma 90.64479304999999
_s... |
MoveSelectedAtomsAction | 159ce96f-a4ba-418f-b358-f0004366d095 | mp-780492 | Move atoms at indices [23, 24, 3, 8, 17, 36, 5, 13, 10, 11, 2, 26, 15, 40, 22, 0, 33, 35, 31, 25, 39, 37, 29, 34, 28, 9, 19, 12, 27, 16] by [ 4.743 -1.971 -0.428] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4VP6H8O22
_chemical_formula_sum "Li4 V1 P6 H8 O22"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 8.50755926
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cell_angle_gamma 85.81388336000002
_... | data_image0
_chemical_formula_structural Li4VP6H8O22
_chemical_formula_sum "Li4 V1 P6 H8 O22"
_cell_length_a 7.001583
_cell_length_b 7.55078302
_cell_length_c 8.50755926
_cell_angle_alpha 84.74528847
_cell_angle_beta 76.60182785999999
_cell_angle_gamma 85.81388336000002
_... |
MoveSelectedAtomsAction | 14a77e57-348c-4757-91c5-4e8f10b098cb | mp-1204112 | Move atoms at indices [12, 41, 39, 11, 0, 7, 35, 10, 4, 1, 45, 34, 33, 19, 30, 17, 43, 44, 18, 20, 26, 25, 2, 15, 42, 31, 8, 36, 21, 14, 29, 24, 3, 13, 22, 37, 40, 6, 23] by [-0.964 -0.042 2.144] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... |
MoveSelectedAtomsAction | c462643b-bffb-46cf-b0ff-e7154e452a91 | mp-29452 | Move atoms at indices [13, 5, 4, 9, 8, 12, 0, 7, 20, 17, 15, 6, 14, 16] by [-1.003 -0.549 1.121] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc8B2Cl12
_chemical_formula_sum "Sc8 B2 Cl12"
_cell_length_a 3.60292348
_cell_length_b 11.85957314
_cell_length_c 12.279586710000002
_cell_angle_alpha 89.99905886
_cell_angle_beta 90.00002933
_cell_angle_gamma 89.99999559999999
_sp... | data_image0
_chemical_formula_structural Sc8B2Cl12
_chemical_formula_sum "Sc8 B2 Cl12"
_cell_length_a 3.60292348
_cell_length_b 11.85957314
_cell_length_c 12.279586710000002
_cell_angle_alpha 89.99905886
_cell_angle_beta 90.00002933
_cell_angle_gamma 89.99999559999999
_sp... |
MoveSelectedAtomsAction | 605c625d-1ca0-404b-b6aa-fdfd0a7ffe68 | mp-1209131 | Move atoms at indices [13, 60, 30, 5, 29, 37] by [ 0.133 -0.626 -2.715] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn27Pd39
_chemical_formula_sum "Sn27 Pd39"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sn27Pd39
_chemical_formula_sum "Sn27 Pd39"
_cell_length_a 8.98541109
_cell_length_b 8.98541109
_cell_length_c 17.134762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999327
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 73f89e8d-380f-4919-b1fb-998ea1160d04 | mp-1245513 | Move atoms at indices [0, 3, 12, 1, 31, 10, 5, 9, 17, 30, 24, 20, 11, 22, 26, 2, 18, 14, 27, 6, 32, 23, 16] by [ 1.41 -1.79 -3.123] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe16Te12N8
_chemical_formula_sum "Fe16 Te12 N8"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_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 Fe16Te12N8
_chemical_formula_sum "Fe16 Te12 N8"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_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... |
MoveSelectedAtomsAction | c1c29bff-cb17-4e7d-8772-dd346e74161a | mp-1207969 | Move atoms at indices [35, 13, 1, 9, 28, 4, 29, 31, 26, 7, 17, 36] by [ 1.478 1.599 -1.163] angstrom in the cif file. | data_image0
_chemical_formula_structural Y2Co2C12N12O10
_chemical_formula_sum "Y2 Co2 C12 N12 O10"
_cell_length_a 7.57012786
_cell_length_b 7.57012786
_cell_length_c 12.859381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_n... | data_image0
_chemical_formula_structural Y2Co2C12N12O10
_chemical_formula_sum "Y2 Co2 C12 N12 O10"
_cell_length_a 7.57012786
_cell_length_b 7.57012786
_cell_length_c 12.859381
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999880000001
_space_group_n... |
MoveSelectedAtomsAction | b7e8370b-b8b9-4e54-9a41-1201b95cfcc3 | mp-773191 | Move atoms at indices [20, 13, 22, 2, 6, 24, 21, 12, 19, 23, 7, 25, 0, 5, 27, 17, 11, 4, 18, 16, 3, 26, 15, 14] by [-1.105 -0.146 -1.507] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6Cr3Sb3O16
_chemical_formula_sum "Li6 Cr3 Sb3 O16"
_cell_length_a 6.04711615
_cell_length_b 6.04711615
_cell_length_c 10.02636895
_cell_angle_alpha 89.85000666000002
_cell_angle_beta 89.85000666000002
_cell_angle_gamma 60.31100107... | data_image0
_chemical_formula_structural Li6Cr3Sb3O16
_chemical_formula_sum "Li6 Cr3 Sb3 O16"
_cell_length_a 6.04711615
_cell_length_b 6.04711615
_cell_length_c 10.02636895
_cell_angle_alpha 89.85000666000002
_cell_angle_beta 89.85000666000002
_cell_angle_gamma 60.31100107... |
MoveSelectedAtomsAction | c8e5da8e-9bd3-428f-ab20-53f67012cdd4 | mp-776267 | Move atoms at indices [23] by [-1.092 -0.991 1.353] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O16"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.00148019000001
... | data_image0
_chemical_formula_structural Li4Mn3Cr3W2O16
_chemical_formula_sum "Li4 Mn3 Cr3 W2 O16"
_cell_length_a 6.03107707
_cell_length_b 6.03107707
_cell_length_c 9.78220422
_cell_angle_alpha 88.63430513
_cell_angle_beta 88.63430513
_cell_angle_gamma 60.00148019000001
... |
MoveSelectedAtomsAction | d1a2f27d-c31c-4468-9015-2cecf9cca1bb | mp-1103066 | Move atoms at indices [3, 2, 6, 9, 1, 4, 11, 7] by [-2.933 -4.612 -1.295] angstrom in the cif file. | data_image0
_chemical_formula_structural Sm4Si4Pd4
_chemical_formula_sum "Sm4 Si4 Pd4"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_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 Sm4Si4Pd4
_chemical_formula_sum "Sm4 Si4 Pd4"
_cell_length_a 4.326026
_cell_length_b 7.167704
_cell_length_c 7.673634
_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... |
MoveSelectedAtomsAction | 4bf61634-b151-4b30-a4df-0c5985927897 | mp-1019788 | Move atoms at indices [39, 35, 31, 42, 32, 14, 22, 27, 5, 13, 7, 36, 23, 16, 18] by [-1.448 -1.259 -2.884] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Al6Si6O24
_chemical_formula_sum "K8 Al6 Si6 O24"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_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 K8Al6Si6O24
_chemical_formula_sum "K8 Al6 Si6 O24"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_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... |
MoveSelectedAtomsAction | ea20fa48-31be-41c1-a21c-2a7075f6e892 | mp-23414 | Move atoms at indices [5, 1, 9, 17, 19, 15, 0, 7, 11, 6, 8, 13, 3, 10, 2, 21, 20, 14, 4, 18] by [-0.174 -0.624 0.332] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc8N2Cl12
_chemical_formula_sum "Sc8 N2 Cl12"
_cell_length_a 3.49215082
_cell_length_b 11.55839449
_cell_length_c 12.06368771
_cell_angle_alpha 90.00014313999999
_cell_angle_beta 90.0000846
_cell_angle_gamma 89.99996687
_space_grou... | data_image0
_chemical_formula_structural Sc8N2Cl12
_chemical_formula_sum "Sc8 N2 Cl12"
_cell_length_a 3.49215082
_cell_length_b 11.55839449
_cell_length_c 12.06368771
_cell_angle_alpha 90.00014313999999
_cell_angle_beta 90.0000846
_cell_angle_gamma 89.99996687
_space_grou... |
MoveSelectedAtomsAction | 49d26ce7-3741-4d8f-b78f-be639d891b26 | mp-1221127 | Move atoms at indices [29, 36, 5, 42, 35, 6, 24, 20, 1, 26, 25, 11, 21, 32, 15, 30, 2, 22, 14, 43, 23, 48, 52, 54, 19, 31, 28, 46, 44, 18, 45] by [ 3.178 1.045 -1.862] angstrom in the cif file. | data_image0
_chemical_formula_structural Na2U8V6O40
_chemical_formula_sum "Na2 U8 V6 O40"
_cell_length_a 7.33532564
_cell_length_b 7.335325640000001
_cell_length_c 18.084419980000003
_cell_angle_alpha 78.43447669
_cell_angle_beta 78.43447669
_cell_angle_gamma 89.99990058
... | data_image0
_chemical_formula_structural Na2U8V6O40
_chemical_formula_sum "Na2 U8 V6 O40"
_cell_length_a 7.33532564
_cell_length_b 7.335325640000001
_cell_length_c 18.084419980000003
_cell_angle_alpha 78.43447669
_cell_angle_beta 78.43447669
_cell_angle_gamma 89.99990058
... |
MoveSelectedAtomsAction | 9e37d9a2-01b8-481a-8b67-2450cac6bc0d | mp-29075 | Move atoms at indices [25, 32, 5, 6, 23, 18, 31, 1, 13, 22, 17, 29, 36, 10, 34, 20, 0, 19, 30, 15, 37, 14, 7, 8, 26, 16, 12, 3, 2, 9, 33, 27] by [-2.152 -1.604 -0.55 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... |
MoveSelectedAtomsAction | 7da6574a-83b8-4b50-b9ee-73c32bfbb64a | mp-1239191 | Move atoms at indices [5, 3, 6, 13, 27, 15, 14, 2, 10, 23, 9, 0, 17, 8, 24, 21, 1, 7, 22, 25] by [ 3.165 -2.302 4.037] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Cr8S16
_chemical_formula_sum "Cs4 Cr8 S16"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_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 Cs4Cr8S16
_chemical_formula_sum "Cs4 Cr8 S16"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_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... |
MoveSelectedAtomsAction | 7d19f6d2-c83d-4752-a0e6-8adb502c91e9 | mp-769513 | Move atoms at indices [61, 38, 25, 32, 16, 55] by [-1.944 1.332 -2.551] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Ti6Mn12O36
_chemical_formula_sum "Li8 Ti6 Mn12 O36"
_cell_length_a 2.909353
_cell_length_b 9.043173
_cell_length_c 25.924114
_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 Li8Ti6Mn12O36
_chemical_formula_sum "Li8 Ti6 Mn12 O36"
_cell_length_a 2.909353
_cell_length_b 9.043173
_cell_length_c 25.924114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveSelectedAtomsAction | 127b51d0-a5ac-48d5-a7da-8bbf3df6ebcc | mp-1228744 | Move atoms at indices [46, 10, 27, 44, 56, 22, 3, 28, 17, 34, 41, 40, 39, 58, 62, 32, 60, 12, 50, 33, 61, 54, 18, 53, 51, 11, 24, 48, 20, 25, 14, 6, 2, 38, 67, 26, 47, 71, 57, 0, 5, 1, 73, 30, 65, 35, 42, 45] by [ 1.141 -2.522 -1.679] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6V8P12O48
_chemical_formula_sum "Ba6 V8 P12 O48"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6V8P12O48
_chemical_formula_sum "Ba6 V8 P12 O48"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveSelectedAtomsAction | d6119f95-d7fd-485f-a98e-366a077c9d86 | mp-28092 | Move atoms at indices [31, 9, 22, 59, 49, 2, 44, 91, 92, 13, 25, 7, 15, 28, 81, 53, 54, 84, 8, 82, 21, 61, 38, 23, 71, 37, 0, 40, 88, 89, 85, 83, 47, 67, 78, 16, 52, 35, 36, 77, 3, 66, 90, 26, 10, 58, 64, 74, 72, 24, 19, 70, 68, 6, 93, 34, 80, 17, 12, 51, 42, 60, 41, 45, 20, 62, 48, 86, 69, 50, 56, 55, 33, 63, 75, 27, ... | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... |
MoveSelectedAtomsAction | fb00d2ee-0b02-4afb-b758-66e411ce4d0f | mp-727103 | Move atoms at indices [20] by [-0.853 -2.847 2.087] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2CuC6O16
_chemical_formula_sum "Ba2 Cu1 C6 O16"
_cell_length_a 6.775689
_cell_length_b 7.7992645000000005
_cell_length_c 9.83479338
_cell_angle_alpha 70.13118492
_cell_angle_beta 82.35314984
_cell_angle_gamma 83.34399386000001
_s... | data_image0
_chemical_formula_structural Ba2CuC6O16
_chemical_formula_sum "Ba2 Cu1 C6 O16"
_cell_length_a 6.775689
_cell_length_b 7.7992645000000005
_cell_length_c 9.83479338
_cell_angle_alpha 70.13118492
_cell_angle_beta 82.35314984
_cell_angle_gamma 83.34399386000001
_s... |
MoveSelectedAtomsAction | e253767b-fa0f-4b9e-b6c9-379a41241f27 | mp-1245016 | Move atoms at indices [67, 36, 32, 8, 16, 79, 47, 21, 46, 63, 44, 78, 26, 19, 68, 49, 57, 2, 74, 34, 25, 41, 4, 14, 12, 60, 62, 70, 39, 35, 55, 13, 42, 56, 38, 53, 76, 45, 72, 48, 52, 50] by [1.841 1.99 2.635] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr24Fe8O48
_chemical_formula_sum "Cr24 Fe8 O48"
_cell_length_a 10.06045022
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma 91.44994278
_space_gr... | data_image0
_chemical_formula_structural Cr24Fe8O48
_chemical_formula_sum "Cr24 Fe8 O48"
_cell_length_a 10.06045022
_cell_length_b 9.24392109
_cell_length_c 10.80210828
_cell_angle_alpha 89.0298009
_cell_angle_beta 81.14865852000001
_cell_angle_gamma 91.44994278
_space_gr... |
MoveSelectedAtomsAction | a00ed14c-6394-4233-8631-f725487493c9 | mp-1104301 | Move atoms at indices [3, 12, 4, 1] by [0.63 0.111 1.547] angstrom in the cif file. | data_image0
_chemical_formula_structural K3Pb2Cl8
_chemical_formula_sum "K3 Pb2 Cl8"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_space_gro... | data_image0
_chemical_formula_structural K3Pb2Cl8
_chemical_formula_sum "K3 Pb2 Cl8"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_space_gro... |
MoveSelectedAtomsAction | 39c2e077-6ed3-4cfa-b041-f760f9c5b819 | mp-1199395 | Move atoms at indices [10, 32, 3, 29, 7, 12, 4, 17, 30, 0, 1, 13, 22, 26, 24, 28, 20] by [ 3.112 -3.35 -2.528] angstrom 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 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... |
MoveSelectedAtomsAction | c38c6c25-4c6e-4fca-9b4c-3e48b46a110b | mp-33546 | Move atoms at indices [5, 6, 7] by [ 2.387 -1.136 1.123] angstrom 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 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... |
MoveSelectedAtomsAction | f0e54bd6-9f61-4bc4-832b-b64ed26d31ea | mp-757949 | Move atoms at indices [43, 19, 17, 46, 11, 35, 45, 2, 3, 10, 5, 33, 47, 6, 32, 28, 25, 39, 34, 15, 40] by [ 0.683 -0.695 3.56 ] angstrom 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 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_... |
MoveSelectedAtomsAction | 02035f62-5c21-4f0f-85d1-fc8c67cc6e35 | mp-2231666 | Move atoms at indices [4, 9, 17, 12, 10, 14, 16, 18, 2, 6, 0, 1, 11, 8, 3, 7, 15, 13, 5] by [ 1.579 -1.113 0.342] angstrom 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 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... |
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