KAl2H8Au
Alexandria ALEXAlex-ID: agm007402216 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_964_spg12
AlAu KAlH6 AlH9 KH6Au
2024-02-08 19:30:42
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007402216).
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 agm007402216
data_agm007402216
_cell_length_a 4.25203
_cell_length_b 4.81341
_cell_length_c 8.41672
_cell_angle_alpha 79.25889
_cell_angle_beta 90.59692
_cell_angle_gamma 70.65764
_cell_volume 159.20763
_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 0.00000 0.00000 0.50000 1.00000
Al1 Al 0.51197 0.57959 0.20830 1.00000
Al2 Al 0.48803 0.42041 0.79170 1.00000
H1 H 0.66458 0.65877 0.36794 1.00000
H2 H 0.74796 0.57551 0.06006 1.00000
H3 H 0.33542 0.34123 0.63206 1.00000
H4 H 0.14090 0.90332 0.19615 1.00000
H5 H 0.85910 0.09668 0.80385 1.00000
H6 H 0.40584 0.28879 0.27853 1.00000
H7 H 0.59416 0.71121 0.72147 1.00000
H8 H 0.25204 0.42449 0.93994 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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