GaH6Au
Alexandria ALEXAlex-ID: agm076182907 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6_5_spg149
H6Au Ga2Au H2
2025-06-26 00:31:11
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm076182907).
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 agm076182907
data_agm076182907
_cell_length_a 5.03264
_cell_length_b 4.65909
_cell_length_c 4.82652
_cell_angle_alpha 65.10244
_cell_angle_beta 74.50785
_cell_angle_gamma 84.14152
_cell_volume 98.91544
_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 0.27937 0.36883 0.26854 1.00000
H1 H 0.73767 0.85193 0.02418 1.00000
H2 H 0.96428 0.52164 0.41792 1.00000
H3 H 0.42314 0.26702 0.54257 1.00000
H4 H 0.86149 0.27788 0.99905 1.00000
H5 H 0.14742 0.98793 0.39420 1.00000
H6 H 0.39730 0.55309 0.90891 1.00000
Au1 Au 0.93933 0.92168 0.19463 1.00000
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