Li2H5Au2
Alexandria ALEXAlex-ID: agm007183117 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_137_spg6
LiH9 LiH2Au H6Au
2024-01-27 18:01:45.267437
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007183117).
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 agm007183117
data_agm007183117
_cell_length_a 3.33289
_cell_length_b 5.03380
_cell_length_c 6.04335
_cell_angle_alpha 116.90196
_cell_angle_beta 91.91933
_cell_angle_gamma 92.05515
_cell_volume 90.21889
_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
Li1 Li 0.89847 0.22770 0.76576 1.00000
Li2 Li 0.43484 0.77231 0.23425 1.00000
H1 H 0.94718 0.04858 0.39611 1.00000
H2 H 0.38615 0.95142 0.60390 1.00000
H3 H 0.40766 0.47749 0.84672 1.00000
H4 H 0.92566 0.52251 0.15328 1.00000
H5 H 0.66670 0.99999 0.99999 1.00000
Au1 Au 0.92814 0.28765 0.27829 1.00000
Au2 Au 0.40519 0.71235 0.72171 1.00000
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