Cs5Rb4Au3
Alexandria ALEXAlex-ID: agm005693167 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_182_spg12
Cs5Au4 Cs2Au Rb
2023-07-01 03:56:59.283365
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693167).
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 agm005693167
data_agm005693167
_cell_length_a 7.08375
_cell_length_b 13.74789
_cell_length_c 10.08795
_cell_angle_alpha 101.69131
_cell_angle_beta 90.00000
_cell_angle_gamma 104.92949
_cell_volume 928.15820
_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 0.40678 0.81355 0.72240 1.00000
Cs2 Cs 0.00000 0.00000 0.50000 1.00000
Cs3 Cs 0.39454 0.78908 0.20348 1.00000
Cs4 Cs 0.60546 0.21092 0.79652 1.00000
Cs5 Cs 0.59322 0.18645 0.27760 1.00000
Rb1 Rb 0.79438 0.58875 0.91274 1.00000
Rb2 Rb 0.79390 0.58781 0.40953 1.00000
Rb3 Rb 0.20610 0.41219 0.59047 1.00000
Rb4 Rb 0.20562 0.41125 0.08726 1.00000
Au1 Au 0.70001 0.40001 0.11288 1.00000
Au2 Au 0.50000 0.00000 0.50000 1.00000
Au3 Au 0.29999 0.59999 0.88712 1.00000
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