Al2H5Au2
Alexandria ALEXAlex-ID: agm007136534 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_2137_spg1
AlH9 H6Au AlAu
2024-08-14 02:45:36.974815
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007136534).
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 agm007136534
data_agm007136534
_cell_length_a 4.56398
_cell_length_b 6.46824
_cell_length_c 9.03600
_cell_angle_alpha 103.20845
_cell_angle_beta 106.87372
_cell_angle_gamma 100.77075
_cell_volume 239.15881
_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
Al1 Al 0.96844 0.00990 0.22954 1.00000
Al2 Al 0.90185 0.83475 0.68373 1.00000
Al3 Al 0.67801 0.35348 0.35698 1.00000
Al4 Al 0.37319 0.53029 0.78539 1.00000
H1 H 0.92401 0.33250 0.78076 1.00000
H2 H 0.01868 0.41993 0.09659 1.00000
H3 H 0.45355 0.68560 0.01178 1.00000
H4 H 0.96424 0.98429 0.01639 1.00000
H5 H 0.26953 0.25664 0.29688 1.00000
H6 H 0.58971 0.64463 0.68473 1.00000
H7 H 0.67299 0.14339 0.19598 1.00000
H8 H 0.18735 0.73831 0.79131 1.00000
H9 H 0.37238 0.24338 0.65493 1.00000
H10 H 0.59002 0.14996 0.47259 1.00000
Au1 Au 0.93339 0.17459 0.91074 1.00000
Au2 Au 0.74521 0.56651 0.06371 1.00000
Au3 Au 0.97649 0.18606 0.57326 1.00000
Au4 Au 0.88096 0.74579 0.39472 1.00000
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