La8Os3Br4
Alexandria ALEXAlex-ID: agm005705262 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C8_7_spg166
La5Os2 La7Os3 La3OsBr3
2023-06-29 18:00:08.329220
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705262).
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 agm005705262
data_agm005705262
_cell_length_a 8.61913
_cell_length_b 8.61913
_cell_length_c 9.60625
_cell_angle_alpha 63.34464
_cell_angle_beta 63.34465
_cell_angle_gamma 60.00001
_cell_volume 528.64344
_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 0.22717 0.22717 0.31849 1.00000
La2 La 0.20111 0.74344 0.31200 1.00000
La3 La 0.74344 0.74344 0.31200 1.00000
La4 La 0.74344 0.20111 0.31200 1.00000
La5 La 0.77283 0.77283 0.68151 1.00000
La6 La 0.79889 0.25656 0.68800 1.00000
La7 La 0.25656 0.25656 0.68800 1.00000
La8 La 0.25656 0.79889 0.68800 1.00000
Os1 Os 0.50000 0.00000 0.50000 1.00000
Os2 Os 0.00000 0.00000 0.50000 1.00000
Os3 Os 0.00000 0.50000 0.50000 1.00000
Br1 Br 0.00000 0.00000 0.00000 1.00000
Br2 Br 0.35705 0.35705 0.92885 1.00000
Br3 Br 0.50000 0.50000 0.50000 1.00000
Br4 Br 0.64295 0.64295 0.07115 1.00000
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