Cs3Rb8Au2
Alexandria ALEXAlex-ID: agm005644337 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_465_spg10
Cs5Au4 Cs2Au Rb
2023-06-18 19:42:23.082885
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644337).
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 agm005644337
data_agm005644337
_cell_length_a 5.50423
_cell_length_b 13.38612
_cell_length_c 13.87701
_cell_angle_alpha 84.56191
_cell_angle_beta 89.99607
_cell_angle_gamma 90.00393
_cell_volume 1017.86007
_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 0.50000 0.00000 0.00000 1.00000
Cs2 Cs 1.00000 0.31680 0.08542 1.00000
Cs3 Cs 0.00000 0.68320 0.91458 1.00000
Rb1 Rb 0.99999 0.32874 0.46601 1.00000
Rb2 Rb 0.00001 0.67126 0.53399 1.00000
Rb3 Rb 0.99998 0.85815 0.26161 1.00000
Rb4 Rb 0.00002 0.14185 0.73839 1.00000
Rb5 Rb 0.50000 0.91321 0.63399 1.00000
Rb6 Rb 0.50000 0.41319 0.73683 1.00000
Rb7 Rb 0.50000 0.58681 0.26317 1.00000
Rb8 Rb 0.50000 0.08679 0.36601 1.00000
Au1 Au 0.50001 0.79971 0.41104 1.00000
Au2 Au 0.49999 0.20029 0.58896 1.00000
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