Cs4K5Au3
Alexandria ALEXAlex-ID: agm005693284 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5_166_spg12
CsK2 Cs6Au K5Au3
2023-07-01 00:22:37.860425
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005693284).
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 agm005693284
data_agm005693284
_cell_length_a 6.57057
_cell_length_b 13.52352
_cell_length_c 8.99437
_cell_angle_alpha 104.79312
_cell_angle_beta 90.00000
_cell_angle_gamma 104.05960
_cell_volume 747.93448
_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 0.80192 0.60385 0.97855 1.00000
Cs2 Cs 0.81221 0.62442 0.51488 1.00000
Cs3 Cs 0.18779 0.37558 0.48512 1.00000
Cs4 Cs 0.19808 0.39615 0.02145 1.00000
K1 K 0.43317 0.86634 0.76831 1.00000
K2 K 0.00000 0.00000 0.50000 1.00000
K3 K 0.39334 0.78669 0.21473 1.00000
K4 K 0.60666 0.21331 0.78527 1.00000
K5 K 0.56683 0.13366 0.23169 1.00000
Au1 Au 0.69158 0.38315 0.18793 1.00000
Au2 Au 0.50000 0.00000 0.50000 1.00000
Au3 Au 0.30842 0.61685 0.81207 1.00000
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