Au4I3Br2
Alexandria ALEXAlex-ID: agm005642718 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_732_spg15
AuI AuBr3 AuBr
2023-06-27 00:37:32.644834
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005642718).
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 agm005642718
data_agm005642718
_cell_length_a 16.14950
_cell_length_b 8.55680
_cell_length_c 8.55680
_cell_angle_alpha 58.36456
_cell_angle_beta 125.95633
_cell_angle_gamma 125.95628
_cell_volume 745.05650
_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 0.30880 0.92287 0.39921 1.00000
Au2 Au 0.19120 0.60079 0.07713 1.00000
Au3 Au 0.69120 0.07713 0.60079 1.00000
Au4 Au 0.80880 0.39921 0.92287 1.00000
Au5 Au 0.95577 0.12558 0.42755 1.00000
Au6 Au 0.54423 0.57245 0.87442 1.00000
Au7 Au 0.04423 0.87442 0.57245 1.00000
Au8 Au 0.45577 0.42755 0.12558 1.00000
I1 I 0.94970 0.02058 0.16214 1.00000
I2 I 0.55030 0.83786 0.97942 1.00000
I3 I 0.05030 0.97942 0.83786 1.00000
I4 I 0.44970 0.16214 0.02058 1.00000
I5 I 0.25000 0.55480 0.44520 1.00000
I6 I 0.75000 0.44520 0.55480 1.00000
Br1 Br 0.36409 0.27149 0.36216 1.00000
Br2 Br 0.13591 0.63784 0.72851 1.00000
Br3 Br 0.63591 0.72851 0.63784 1.00000
Br4 Br 0.86409 0.36216 0.27149 1.00000
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