LiSn5Au6
Alexandria ALEXAlex-ID: agm006135705 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_78_spg12
LiSnAu2 SnAu
2023-08-31 17:06:46.047313
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006135705).
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 agm006135705
data_agm006135705
_cell_length_a 6.59308
_cell_length_b 7.37608
_cell_length_c 8.59934
_cell_angle_alpha 52.99895
_cell_angle_beta 58.45126
_cell_angle_gamma 58.65306
_cell_volume 271.35555
_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
Au1 Au 0.76471 0.53293 0.36758 1.00000
Au2 Au 0.80484 0.11987 0.32225 1.00000
Au3 Au 0.47022 0.70590 0.00122 1.00000
Au4 Au 0.52978 0.29410 0.99878 1.00000
Au5 Au 0.19516 0.88013 0.67775 1.00000
Au6 Au 0.23529 0.46707 0.63242 1.00000
Sn1 Sn 0.66987 0.09761 0.74601 1.00000
Sn2 Sn 0.26434 0.32593 0.38315 1.00000
Sn3 Sn 0.00000 0.50000 0.00000 1.00000
Sn4 Sn 0.73566 0.67407 0.61685 1.00000
Sn5 Sn 0.33013 0.90239 0.25399 1.00000
Li1 Li 0.00000 0.00000 0.00000 1.00000
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