Cs(AuBr3)2
Alexandria ALEXAlex-ID: agm098002793 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_6233_spg1
AuBr AuBr3 CsAuBr4
2025-04-06 18:48:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098002793).
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 agm098002793
data_agm098002793
_cell_length_a 5.80305
_cell_length_b 6.77314
_cell_length_c 10.67500
_cell_angle_alpha 81.70859
_cell_angle_beta 95.08651
_cell_angle_gamma 100.41416
_cell_volume 407.50878
_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
Cs1 Cs 0.41370 0.27547 0.29715 1.00000
Au1 Au 0.77303 0.94433 0.85803 1.00000
Au2 Au 0.19203 0.15787 0.67673 1.00000
Br1 Br 0.02490 0.69493 0.93312 1.00000
Br2 Br 0.91356 0.10233 0.49703 1.00000
Br3 Br 0.02846 0.80358 0.19321 1.00000
Br4 Br 0.10164 0.51212 0.75328 1.00000
Br5 Br 0.53328 0.81046 0.19907 1.00000
Br6 Br 0.51940 0.19890 0.84237 1.00000
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