K8HAu
Alexandria ALEXAlex-ID: agm071551047 · Space group: P4_332 (#212)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC8_325_spg212
KH K5Au3 K
2024-09-10 02:41:50.828443
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071551047).
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 agm071551047
data_agm071551047
_cell_length_a 12.87816
_cell_length_b 12.87816
_cell_length_c 12.87816
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 2135.80439
_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
K1 K 0.37010 0.10472 0.61893 1.00000
K2 K 0.12990 0.89528 0.11893 1.00000
K3 K 0.62990 0.60472 0.88107 1.00000
K4 K 0.87010 0.39528 0.38107 1.00000
K5 K 0.61893 0.37010 0.10472 1.00000
K6 K 0.11893 0.12990 0.89528 1.00000
K7 K 0.88107 0.62990 0.60472 1.00000
K8 K 0.38107 0.87010 0.39528 1.00000
K9 K 0.10472 0.61893 0.37010 1.00000
K10 K 0.89528 0.11893 0.12990 1.00000
K11 K 0.60472 0.88107 0.62990 1.00000
K12 K 0.39528 0.38107 0.87010 1.00000
K13 K 0.35472 0.12010 0.13107 1.00000
K14 K 0.14528 0.87990 0.63107 1.00000
K15 K 0.85472 0.37990 0.86893 1.00000
K16 K 0.64528 0.62010 0.36893 1.00000
K17 K 0.62010 0.36893 0.64528 1.00000
K18 K 0.37990 0.86893 0.85472 1.00000
K19 K 0.87990 0.63107 0.14528 1.00000
K20 K 0.12010 0.13107 0.35472 1.00000
K21 K 0.86893 0.85472 0.37990 1.00000
K22 K 0.36893 0.64528 0.62010 1.00000
K23 K 0.13107 0.35472 0.12010 1.00000
K24 K 0.63107 0.14528 0.87990 1.00000
K25 K 0.38334 0.38334 0.38334 1.00000
K26 K 0.11666 0.61666 0.88334 1.00000
K27 K 0.61666 0.88334 0.11666 1.00000
K28 K 0.88334 0.11666 0.61666 1.00000
K29 K 0.63334 0.13334 0.36666 1.00000
K30 K 0.86666 0.86666 0.86666 1.00000
K31 K 0.13334 0.36666 0.63334 1.00000
K32 K 0.36666 0.63334 0.13334 1.00000
H1 H 0.12500 0.12500 0.12500 1.00000
H2 H 0.37500 0.87500 0.62500 1.00000
H3 H 0.87500 0.62500 0.37500 1.00000
H4 H 0.62500 0.37500 0.87500 1.00000
Au1 Au 0.62500 0.62500 0.62500 1.00000
Au2 Au 0.87500 0.37500 0.12500 1.00000
Au3 Au 0.37500 0.12500 0.87500 1.00000
Au4 Au 0.12500 0.87500 0.37500 1.00000
