AlHgH6Au
Alexandria ALEXAlex-ID: agm007101894 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_78_spg1
AlH9 HgH4 AlAu H6Au
2024-08-14 03:19:47.428777
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007101894).
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
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# CIF generated by HEAS from Alexandria entry agm007101894
data_agm007101894
_cell_length_a 4.69574
_cell_length_b 5.28694
_cell_length_c 6.35654
_cell_angle_alpha 107.37794
_cell_angle_beta 95.28426
_cell_angle_gamma 118.59347
_cell_volume 126.92829
_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 0.25909 0.60641 0.09793 1.00000
Hg1 Hg 0.99482 0.17048 0.40939 1.00000
H1 H 0.44139 0.41203 0.01209 1.00000
H2 H 0.03349 0.70264 0.91626 1.00000
H3 H 0.59137 0.00056 0.21184 1.00000
H4 H 0.38707 0.28756 0.55371 1.00000
H5 H 0.47209 0.92607 0.68490 1.00000
H6 H 0.11117 0.58803 0.31833 1.00000
Au1 Au 0.70950 0.30599 0.79543 1.00000
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