AlSnAu3
Alexandria ALEXAlex-ID: agm005757757 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_1490_spg12
AlAu2 SnAu
2023-07-02 20:19:38.633498
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005757757).
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 agm005757757
data_agm005757757
_cell_length_a 4.15170
_cell_length_b 8.00644
_cell_length_c 6.90458
_cell_angle_alpha 98.06384
_cell_angle_beta 89.99999
_cell_angle_gamma 105.02691
_cell_volume 219.31160
_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 0.08988 0.17977 0.98949 1.00000
Al2 Al 0.91012 0.82023 0.01051 1.00000
Sn1 Sn 0.33823 0.67645 0.62228 1.00000
Sn2 Sn 0.66177 0.32355 0.37772 1.00000
Au1 Au 0.97177 0.94354 0.68937 1.00000
Au2 Au 0.02823 0.05646 0.31063 1.00000
Au3 Au 0.68550 0.37099 0.97197 1.00000
Au4 Au 0.31450 0.62901 0.02803 1.00000
Au5 Au 0.84155 0.68311 0.33736 1.00000
Au6 Au 0.15845 0.31689 0.66264 1.00000
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