AlSnAu5
Alexandria ALEXAlex-ID: agm005758740 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_554_spg15
AlAu4 SnAu
2023-07-13 19:57:17.199853
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758740).
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 agm005758740
data_agm005758740
_cell_length_a 6.55307
_cell_length_b 7.08713
_cell_length_c 7.08713
_cell_angle_alpha 120.21754
_cell_angle_beta 92.93070
_cell_angle_gamma 92.93071
_cell_volume 282.91930
_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 0.75000 0.45499 0.54501 1.00000
Al2 Al 0.25000 0.54501 0.45499 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Sn2 Sn 0.50000 0.00000 0.00000 1.00000
Au1 Au 0.83157 0.63177 0.98118 1.00000
Au2 Au 0.56758 0.50779 0.24142 1.00000
Au3 Au 0.33157 0.98118 0.63177 1.00000
Au4 Au 0.75000 0.18542 0.81458 1.00000
Au5 Au 0.93242 0.75858 0.49221 1.00000
Au6 Au 0.06758 0.24142 0.50779 1.00000
Au7 Au 0.25000 0.81458 0.18542 1.00000
Au8 Au 0.66843 0.01882 0.36823 1.00000
Au9 Au 0.43242 0.49221 0.75858 1.00000
Au10 Au 0.16843 0.36823 0.01882 1.00000
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