Ga5(HAu)2
Alexandria ALEXAlex-ID: agm007158366 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C5_164_spg12
Ga5Au GaH6 Ga2Au
2024-06-24 12:02:22.407470
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007158366).
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 agm007158366
data_agm007158366
_cell_length_a 4.29407
_cell_length_b 4.68933
_cell_length_c 9.58492
_cell_angle_alpha 89.81370
_cell_angle_beta 102.02031
_cell_angle_gamma 117.26154
_cell_volume 166.86027
_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
Ga1 Ga 0.19925 0.55644 0.84104 1.00000
Ga2 Ga 0.80075 0.44356 0.15896 1.00000
Ga3 Ga 0.71290 0.96899 0.42227 1.00000
Ga4 Ga 0.28710 0.03101 0.57773 1.00000
Ga5 Ga 0.00000 0.00000 0.00000 1.00000
H1 H 0.36457 0.72303 0.50912 1.00000
H2 H 0.63543 0.27697 0.49088 1.00000
Au1 Au 0.48068 0.80892 0.15355 1.00000
Au2 Au 0.51932 0.19108 0.84645 1.00000
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