Cs3KAu2
Alexandria ALEXAlex-ID: agm017233299 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2407_spg12
Cs6Au K5Au3 Cs2Au
2025-04-15 06:27:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017233299).
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 agm017233299
data_agm017233299
_cell_length_a 5.14104
_cell_length_b 11.23028
_cell_length_c 13.27213
_cell_angle_alpha 67.93938
_cell_angle_beta 80.17508
_cell_angle_gamma 78.43491
_cell_volume 691.90474
_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 0.16938 0.93008 0.74824 1.00000
Cs2 Cs 0.83062 0.06992 0.25176 1.00000
Cs3 Cs 0.38730 0.26373 0.92599 1.00000
Cs4 Cs 0.61270 0.73627 0.07401 1.00000
Cs5 Cs 0.62451 0.26805 0.52451 1.00000
Cs6 Cs 0.37549 0.73195 0.47549 1.00000
K1 K 0.79931 0.61081 0.77670 1.00000
K2 K 0.20069 0.38919 0.22330 1.00000
Au1 Au 0.23536 0.57584 0.95672 1.00000
Au2 Au 0.76464 0.42416 0.04328 1.00000
Au3 Au 0.75833 0.92713 0.55142 1.00000
Au4 Au 0.24167 0.07287 0.44858 1.00000
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