Li(SnAu2)2
Alexandria ALEXAlex-ID: agm003458554 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_1279_spg141
LiSnAu2 LiAu3 SnAu
2022-02-17 23:13:20.108101
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003458554).
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 agm003458554
data_agm003458554
_cell_length_a 6.76803
_cell_length_b 6.77337
_cell_length_c 7.94024
_cell_angle_alpha 110.26436
_cell_angle_beta 105.02026
_cell_angle_gamma 106.86531
_cell_volume 299.41499
_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 0.26808 0.76769 0.50000 1.00000
Li2 Li 0.98258 0.98162 0.99998 1.00000
Sn1 Sn 0.62530 0.37542 0.75023 1.00000
Sn2 Sn 0.62487 0.87490 0.25025 1.00000
Sn3 Sn 0.62450 0.37453 0.24971 1.00000
Sn4 Sn 0.12516 0.37531 0.74979 1.00000
Au1 Au 0.01520 0.28281 0.35118 1.00000
Au2 Au 0.23419 0.46676 0.14818 1.00000
Au3 Au 0.93135 0.66391 0.64810 1.00000
Au4 Au 0.73907 0.98096 0.65722 1.00000
Au5 Au 0.32369 0.08188 0.34357 1.00000
Au6 Au 0.31830 0.08607 0.85112 1.00000
Au7 Au 0.51152 0.76996 0.84354 1.00000
Au8 Au 0.92620 0.66818 0.15712 1.00000
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