Ag5AuBr8
Alexandria ALEXAlex-ID: agm006089643 · Space group: I-4 (#82)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_80_spg82
AgAuBr4 AgBr
2023-08-11 01:39:26.111578
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006089643).
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
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# CIF generated by HEAS from Alexandria entry agm006089643
data_agm006089643
_cell_length_a 8.22961
_cell_length_b 8.22961
_cell_length_c 8.22961
_cell_angle_alpha 103.65581
_cell_angle_beta 103.65582
_cell_angle_gamma 121.85844
_cell_volume 413.75980
_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
Ag1 Ag 0.84818 0.34879 0.98134 1.00000
Ag2 Ag 0.65121 0.63255 0.49939 1.00000
Ag3 Ag 0.36745 0.86683 0.01866 1.00000
Ag4 Ag 0.50000 0.50000 0.00000 1.00000
Ag5 Ag 0.13317 0.15182 0.50061 1.00000
Au1 Au 0.25000 0.75000 0.50000 1.00000
Br1 Br 0.11883 0.79700 0.20855 1.00000
Br2 Br 0.20300 0.41155 0.32183 1.00000
Br3 Br 0.70405 0.87459 0.30678 1.00000
Br4 Br 0.12541 0.43219 0.82946 1.00000
Br5 Br 0.60273 0.29595 0.17054 1.00000
Br6 Br 0.08971 0.88117 0.67817 1.00000
Br7 Br 0.58845 0.91029 0.79145 1.00000
Br8 Br 0.56781 0.39727 0.69322 1.00000
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