AuBr2
Alexandria ALEXAlex-ID: agm005456872 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_2420_spg140
AuBr AuBr3
2023-03-19 05:52:11.321023
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005456872).
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 agm005456872
data_agm005456872
_cell_length_a 5.85705
_cell_length_b 5.85705
_cell_length_c 5.85705
_cell_angle_alpha 110.27589
_cell_angle_beta 110.27589
_cell_angle_gamma 107.87360
_cell_volume 154.58311
_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
Au1 Au 0.25000 0.25000 0.00000 1.00000
Au2 Au 0.75000 0.75000 0.00000 1.00000
Br1 Br 0.28861 0.78861 0.07722 1.00000
Br2 Br 0.71139 0.21139 0.92278 1.00000
Br3 Br 0.21139 0.28861 0.50000 1.00000
Br4 Br 0.78861 0.71139 0.50000 1.00000
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