GaSn3Au2
Alexandria ALEXAlex-ID: agm005675060 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2458_spg14
Sn2Au Ga2Au
2023-08-18 10:06:18.085561
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005675060).
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 agm005675060
data_agm005675060
_cell_length_a 11.12347
_cell_length_b 6.85614
_cell_length_c 8.34499
_cell_angle_alpha 90.00000
_cell_angle_beta 115.22464
_cell_angle_gamma 90.00000
_cell_volume 575.73626
_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
Ga1 Ga 0.55687 0.74334 0.34518 1.00000
Ga2 Ga 0.94313 0.24334 0.15482 1.00000
Ga3 Ga 0.44313 0.25666 0.65482 1.00000
Ga4 Ga 0.05687 0.75666 0.84518 1.00000
Sn1 Sn 0.15702 0.11957 0.02616 1.00000
Sn2 Sn 0.34298 0.61957 0.47384 1.00000
Sn3 Sn 0.84298 0.88043 0.97384 1.00000
Sn4 Sn 0.65702 0.38043 0.52616 1.00000
Sn5 Sn 0.33283 0.54994 0.05497 1.00000
Sn6 Sn 0.16717 0.04994 0.44503 1.00000
Sn7 Sn 0.66717 0.45006 0.94503 1.00000
Sn8 Sn 0.83283 0.95006 0.55497 1.00000
Sn9 Sn 0.01117 0.65478 0.37850 1.00000
Sn10 Sn 0.48883 0.15478 0.12150 1.00000
Sn11 Sn 0.98883 0.34522 0.62150 1.00000
Sn12 Sn 0.51117 0.84522 0.87850 1.00000
Au1 Au 0.73724 0.76442 0.22139 1.00000
Au2 Au 0.76276 0.26442 0.27861 1.00000
Au3 Au 0.26276 0.23558 0.77861 1.00000
Au4 Au 0.23724 0.73558 0.72139 1.00000
Au5 Au 0.37403 0.99578 0.33812 1.00000
Au6 Au 0.12597 0.49578 0.16188 1.00000
Au7 Au 0.62597 0.00422 0.66188 1.00000
Au8 Au 0.87403 0.50422 0.83812 1.00000
