AuBr
Alexandria ALEXAlex-ID: agm076201682 · Space group: I4_132 (#214)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB_11380_spg214
AuBr
2025-01-14 08:58:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076201682).
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 agm076201682
data_agm076201682
_cell_length_a 10.88761
_cell_length_b 10.88761
_cell_length_c 10.88742
_cell_angle_alpha 70.49668
_cell_angle_beta 109.50332
_cell_angle_gamma 70.59055
_cell_volume 993.46985
_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 0.37524 0.24983 0.37317 1.00000
Au2 Au 0.12270 0.25261 0.12329 1.00000
Au3 Au 0.62588 0.24626 0.62587 1.00000
Au4 Au 0.87275 0.24925 0.87646 1.00000
Au5 Au 0.12322 0.12322 0.50000 1.00000
Au6 Au 0.87285 0.37627 0.49697 1.00000
Au7 Au 0.37627 0.87285 0.50303 1.00000
Au8 Au 0.62581 0.62581 0.50000 1.00000
Au9 Au 0.24983 0.37524 0.62683 1.00000
Au10 Au 0.24626 0.62588 0.37413 1.00000
Au11 Au 0.25261 0.12270 0.87671 1.00000
Au12 Au 0.24925 0.87275 0.12354 1.00000
Br1 Br 0.27352 0.95202 0.77374 1.00000
Br2 Br 0.22672 0.74873 0.52498 1.00000
Br3 Br 0.52284 0.74932 0.22618 1.00000
Br4 Br 0.97625 0.54670 0.47758 1.00000
Br5 Br 0.52360 0.22417 0.79717 1.00000
Br6 Br 0.27307 0.27307 0.00000 1.00000
Br7 Br 0.97560 0.97560 0.00000 1.00000
Br8 Br 0.22417 0.52360 0.20283 1.00000
Br9 Br 0.54670 0.97625 0.52242 1.00000
Br10 Br 0.74873 0.22672 0.47502 1.00000
Br11 Br 0.74932 0.52284 0.77382 1.00000
Br12 Br 0.95202 0.27352 0.22626 1.00000
