Li5Sn3Au2
Alexandria ALEXAlex-ID: agm003344206 · Space group: Ibam (#72)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_152_spg72
LiSn Li2SnAu
2022-02-02 10:23:59.453053
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003344206).
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 agm003344206
data_agm003344206
_cell_length_a 9.39596
_cell_length_b 8.31230
_cell_length_c 8.31230
_cell_angle_alpha 59.33258
_cell_angle_beta 55.58494
_cell_angle_gamma 55.58491
_cell_volume 424.14474
_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
Li1 Li 0.25000 0.50000 0.50000 1.00000
Li2 Li 0.75000 0.50000 0.50000 1.00000
Li3 Li 0.49792 0.75208 0.75208 1.00000
Li4 Li 0.00208 0.24792 0.24792 1.00000
Li5 Li 0.50208 0.24792 0.24792 1.00000
Li6 Li 0.99792 0.75208 0.75208 1.00000
Li7 Li 0.11358 0.65473 0.11811 1.00000
Li8 Li 0.88642 0.34527 0.88189 1.00000
Li9 Li 0.61358 0.11811 0.65473 1.00000
Li10 Li 0.38642 0.88189 0.34527 1.00000
Sn1 Sn 0.25000 0.00000 0.00000 1.00000
Sn2 Sn 0.75000 0.00000 0.00000 1.00000
Sn3 Sn 0.37133 0.55516 0.70217 1.00000
Sn4 Sn 0.62867 0.44484 0.29783 1.00000
Sn5 Sn 0.87133 0.70217 0.55516 1.00000
Sn6 Sn 0.12867 0.29783 0.44484 1.00000
Au1 Au 0.13851 0.95590 0.76707 1.00000
Au2 Au 0.86149 0.04410 0.23293 1.00000
Au3 Au 0.63851 0.76707 0.95590 1.00000
Au4 Au 0.36149 0.23293 0.04410 1.00000
