La6Sm8O
Alexandria ALEXAlex-ID: agm072963847 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_73_spg148
La3Sm5 LaSm La2O3
2024-10-07 07:40:52.206176
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm072963847).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm072963847
data_agm072963847
_cell_length_a 6.59296
_cell_length_b 9.06279
_cell_length_c 9.54683
_cell_angle_alpha 107.58805
_cell_angle_beta 104.13333
_cell_angle_gamma 103.58909
_cell_volume 497.02360
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
La1 La 0.95129 0.54661 0.16934 1.00000
La2 La 0.33164 0.83259 0.54737 1.00000
La3 La 0.77625 0.59046 0.50288 1.00000
La4 La 0.04871 0.45339 0.83066 1.00000
La5 La 0.66836 0.16741 0.45263 1.00000
La6 La 0.22375 0.40954 0.49712 1.00000
Sm1 Sm 0.10141 0.97271 0.25527 1.00000
Sm2 Sm 0.89859 0.02729 0.74473 1.00000
Sm3 Sm 0.24751 0.86719 0.90145 1.00000
Sm4 Sm 0.30297 0.28516 0.11762 1.00000
Sm5 Sm 0.52001 0.74873 0.20738 1.00000
Sm6 Sm 0.75249 0.13281 0.09855 1.00000
Sm7 Sm 0.69703 0.71484 0.88238 1.00000
Sm8 Sm 0.47999 0.25127 0.79262 1.00000
O1 O 0.00000 0.00000 0.00000 1.00000
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