Cs3K8Au2
Alexandria ALEXAlex-ID: agm005644477 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_467_spg10
CsK2 Cs6Au K5Au3
2023-06-15 22:15:32.490197
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644477).
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 agm005644477
data_agm005644477
_cell_length_a 5.01972
_cell_length_b 11.96157
_cell_length_c 14.85582
_cell_angle_alpha 75.95919
_cell_angle_beta 90.00097
_cell_angle_gamma 90.00093
_cell_volume 865.34925
_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 0.00000 0.30831 0.11212 1.00000
Cs3 Cs 1.00000 0.69169 0.88788 1.00000
K1 K 0.00000 0.44846 0.39485 1.00000
K2 K 1.00000 0.55154 0.60515 1.00000
K3 K 1.00000 0.83221 0.35099 1.00000
K4 K 0.00000 0.16779 0.64901 1.00000
K5 K 0.50000 0.83452 0.59541 1.00000
K6 K 0.50000 0.35897 0.80070 1.00000
K7 K 0.50000 0.64103 0.19930 1.00000
K8 K 0.50000 0.16548 0.40459 1.00000
Au1 Au 0.50000 0.62300 0.44601 1.00000
Au2 Au 0.50000 0.37700 0.55399 1.00000
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