AlGa(H4Au)2
Alexandria ALEXAlex-ID: agm007614997 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_2051_spg1
AlH9 Al2GaAu3 GaAu H6Au
2024-02-08 05:52:19
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007614997).
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 agm007614997
data_agm007614997
_cell_length_a 5.12535
_cell_length_b 4.59517
_cell_length_c 8.68401
_cell_angle_alpha 91.31246
_cell_angle_beta 72.16213
_cell_angle_gamma 55.98122
_cell_volume 156.40291
_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 0.29621 0.91442 0.08784 1.00000
Ga1 Ga 0.22297 0.39980 0.60045 1.00000
H1 H 0.45121 0.17329 0.40827 1.00000
H2 H 0.73099 0.79707 0.08422 1.00000
H3 H 0.20133 0.74936 0.65255 1.00000
H4 H 0.88267 0.26304 0.16588 1.00000
H5 H 0.48545 0.61009 0.90405 1.00000
H6 H 0.24928 0.69191 0.24691 1.00000
H7 H 0.84457 0.48427 0.60563 1.00000
H8 H 0.13624 0.30764 0.83043 1.00000
Au1 Au 0.53409 0.22853 0.16505 1.00000
Au2 Au 0.46499 0.88057 0.74874 1.00000
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