CsK14Au
Alexandria ALEXAlex-ID: agm005753198 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_4_spg38
CsK2 K5Au3 K
2023-07-18 19:57:04.752278
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753198).
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 agm005753198
data_agm005753198
_cell_length_a 9.61617
_cell_length_b 9.61617
_cell_length_c 12.28868
_cell_angle_alpha 89.99999
_cell_angle_beta 90.00000
_cell_angle_gamma 100.57848
_cell_volume 1117.03096
_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 0.11684 0.88316 0.50000 1.00000
K1 K 0.11089 0.88911 1.00000 1.00000
K2 K 0.60713 0.39287 1.00000 1.00000
K3 K 0.11554 0.38152 0.50000 1.00000
K4 K 0.09219 0.37768 1.00000 1.00000
K5 K 0.61848 0.88446 0.50000 1.00000
K6 K 0.62232 0.90781 1.00000 1.00000
K7 K 0.45226 0.19928 0.68734 1.00000
K8 K 0.45226 0.19928 0.31266 1.00000
K9 K 0.80072 0.54774 0.68734 1.00000
K10 K 0.80072 0.54774 0.31266 1.00000
K11 K 0.35105 0.64895 0.76412 1.00000
K12 K 0.35105 0.64895 0.23588 1.00000
K13 K 0.87887 0.12113 0.73802 1.00000
K14 K 0.87887 0.12113 0.26198 1.00000
Au1 Au 0.75079 0.24921 0.50000 1.00000
Get direct link