LaAuBr
Alexandria ALEXAlex-ID: agm003602575 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_2029_spg8
La3Au4 LaAu2 LaBr3
2022-03-06 07:53:46.734925
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003602575).
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 agm003602575
data_agm003602575
_cell_length_a 4.76150
_cell_length_b 4.76150
_cell_length_c 10.22129
_cell_angle_alpha 88.17790
_cell_angle_beta 88.17790
_cell_angle_gamma 60.16638
_cell_volume 200.88925
_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 0.99054 0.99054 0.67098 1.00000
La2 La 0.00946 0.00946 0.32902 1.00000
Au1 Au 0.66672 0.66672 0.50523 1.00000
Au2 Au 0.33328 0.33328 0.49477 1.00000
Br1 Br 0.68270 0.68270 0.16830 1.00000
Br2 Br 0.31730 0.31730 0.83170 1.00000
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