AcAl2H8Au
Alexandria ALEXAlex-ID: agm007203240 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_238_spg1
AlH9 AlAu AcAlH6 H6Au
2024-01-28 08:59:54.005775
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007203240).
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 agm007203240
data_agm007203240
_cell_length_a 4.91726
_cell_length_b 7.70994
_cell_length_c 4.33971
_cell_angle_alpha 113.38993
_cell_angle_beta 89.88177
_cell_angle_gamma 116.31817
_cell_volume 132.29370
_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
Ac1 Ac 0.50000 0.00000 0.50000 1.00000
Al1 Al 0.34421 0.51756 0.75037 1.00000
Al2 Al 0.65579 0.48244 0.24963 1.00000
H1 H 0.26627 0.38907 0.31012 1.00000
H2 H 0.46838 0.33632 0.80726 1.00000
H3 H 0.73373 0.61093 0.68988 1.00000
H4 H 0.98911 0.35051 0.75985 1.00000
H5 H 0.01089 0.64949 0.24015 1.00000
H6 H 0.34205 0.75667 0.82362 1.00000
H7 H 0.65795 0.24333 0.17638 1.00000
H8 H 0.53162 0.66368 0.19274 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
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