In2H8Au3
Alexandria ALEXAlex-ID: agm007269685 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_1099_spg2
In2Au H6Au InAu
2024-08-08 01:16:26.790983
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007269685).
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 agm007269685
data_agm007269685
_cell_length_a 5.04942
_cell_length_b 4.90078
_cell_length_c 8.63975
_cell_angle_alpha 126.10070
_cell_angle_beta 101.14842
_cell_angle_gamma 85.00744
_cell_volume 169.38966
_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
In1 In 0.66489 0.78109 0.22532 1.00000
In2 In 0.33512 0.21893 0.77467 1.00000
H1 H 0.89368 0.17269 0.72396 1.00000
H2 H 0.10632 0.82731 0.27603 1.00000
H3 H 0.77923 0.02795 0.04498 1.00000
H4 H 0.22077 0.97204 0.95501 1.00000
H5 H 0.78144 0.29905 0.51156 1.00000
H6 H 0.65092 0.60696 0.37621 1.00000
H7 H 0.34906 0.39304 0.62380 1.00000
H8 H 0.21855 0.70096 0.48844 1.00000
Au1 Au 0.50002 0.50000 0.50000 1.00000
Au2 Au 0.85874 0.10291 0.88651 1.00000
Au3 Au 0.14126 0.89708 0.11350 1.00000
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