Ga(Sn2Au)2
Alexandria ALEXAlex-ID: agm096469622 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_6183_spg47
Sn2Au Ga2Au Sn
2025-04-10 18:49:06
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096469622).
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 agm096469622
data_agm096469622
_cell_length_a 4.32163
_cell_length_b 5.22210
_cell_length_c 7.80809
_cell_angle_alpha 91.00970
_cell_angle_beta 90.05249
_cell_angle_gamma 90.01704
_cell_volume 176.18562
_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 0.00581 0.50551 0.00796 1.00000
Sn1 Sn 0.50334 0.23935 0.18767 1.00000
Sn2 Sn 0.99627 0.27768 0.64851 1.00000
Sn3 Sn 0.99539 0.72013 0.35974 1.00000
Sn4 Sn 0.50254 0.74966 0.80493 1.00000
Au1 Au 0.00135 0.00353 0.99228 1.00000
Au2 Au 0.49531 0.00415 0.49891 1.00000
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