Si2Au3
Alexandria ALEXAlex-ID: agm005505463 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_99_spg43
SiAu Au
2023-03-20 12:55:16.843798
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505463).
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 agm005505463
data_agm005505463
_cell_length_a 9.22785
_cell_length_b 6.96333
_cell_length_c 6.83329
_cell_angle_alpha 83.95080
_cell_angle_beta 48.62487
_cell_angle_gamma 47.42433
_cell_volume 190.63917
_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
Si1 Si 0.44589 0.42075 0.90979 1.00000
Si2 Si 0.22357 0.90979 0.42075 1.00000
Si3 Si 0.82925 0.80411 0.02643 1.00000
Si4 Si 0.34021 0.02643 0.80411 1.00000
Au1 Au 0.48674 0.23949 0.54268 1.00000
Au2 Au 0.73109 0.54268 0.23949 1.00000
Au3 Au 0.01051 0.76326 0.51891 1.00000
Au4 Au 0.70732 0.51891 0.76326 1.00000
Au5 Au 0.11272 0.88728 0.88728 1.00000
Au6 Au 0.36272 0.13728 0.13728 1.00000
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