GaH4Au
Alexandria ALEXAlex-ID: agm007358755 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_98_spg12
H6Au Ga2Au H2
2024-02-08 00:50:07
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007358755).
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 agm007358755
data_agm007358755
_cell_length_a 5.00023
_cell_length_b 5.98013
_cell_length_c 6.85461
_cell_angle_alpha 77.05518
_cell_angle_beta 80.85290
_cell_angle_gamma 55.83036
_cell_volume 165.13543
_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 0.10103 0.63713 0.73582 1.00000
Ga2 Ga 0.89897 0.36287 0.26418 1.00000
H1 H 0.05151 0.89740 0.80835 1.00000
H2 H 0.45513 0.31603 0.85690 1.00000
H3 H 0.86721 0.53275 0.81787 1.00000
H4 H 0.04353 0.24937 0.50985 1.00000
H5 H 0.95647 0.75063 0.49015 1.00000
H6 H 0.13279 0.46725 0.18213 1.00000
H7 H 0.54487 0.68397 0.14310 1.00000
H8 H 0.94849 0.10260 0.19165 1.00000
Au1 Au 0.26673 0.70877 0.32177 1.00000
Au2 Au 0.73327 0.29123 0.67823 1.00000
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