Cs5Rb2Au6
Alexandria ALEXAlex-ID: agm005656383 · Space group: Pbam (#55)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C6_1_spg55
Cs5Au4 Cs2Rb3Au4 CsAu
2023-06-21 18:56:33.990801
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005656383).
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 agm005656383
data_agm005656383
_cell_length_a 5.10111
_cell_length_b 14.28836
_cell_length_c 17.35430
_cell_angle_alpha 90.00001
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 1264.89438
_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 0.33114 0.48973 1.00000
Cs2 Cs 0.50000 0.66886 0.51027 1.00000
Cs3 Cs 0.50000 0.83114 0.01027 1.00000
Cs4 Cs 0.50000 0.16886 0.98973 1.00000
Cs5 Cs 0.50000 0.58634 0.26215 1.00000
Cs6 Cs 0.50000 0.41366 0.73785 1.00000
Cs7 Cs 0.50000 0.08634 0.23785 1.00000
Cs8 Cs 0.50000 0.91366 0.76215 1.00000
Cs9 Cs 0.50000 0.50000 0.00000 1.00000
Cs10 Cs 0.50000 0.00000 0.50000 1.00000
Rb1 Rb 0.00000 0.34076 0.27406 1.00000
Rb2 Rb 0.00000 0.65924 0.72594 1.00000
Rb3 Rb 0.00000 0.84076 0.22594 1.00000
Rb4 Rb 0.00000 0.15924 0.77406 1.00000
Au1 Au 0.00000 0.14674 0.38892 1.00000
Au2 Au 0.00000 0.85326 0.61108 1.00000
Au3 Au 0.00000 0.64674 0.11108 1.00000
Au4 Au 0.00000 0.35326 0.88892 1.00000
Au5 Au 0.50000 0.33045 0.15325 1.00000
Au6 Au 0.50000 0.66955 0.84675 1.00000
Au7 Au 0.50000 0.83045 0.34675 1.00000
Au8 Au 0.50000 0.16955 0.65325 1.00000
Au9 Au 0.00000 0.50929 0.41632 1.00000
Au10 Au 0.00000 0.49071 0.58368 1.00000
Au11 Au 0.00000 0.00929 0.08368 1.00000
Au12 Au 0.00000 0.99071 0.91632 1.00000
