Sn4HgAu
Alexandria ALEXAlex-ID: agm005758845 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_3725_spg15
Sn2Au Sn Hg
2023-07-31 10:37:36.281526
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005758845).
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 agm005758845
data_agm005758845
_cell_length_a 6.25740
_cell_length_b 6.49376
_cell_length_c 8.90930
_cell_angle_alpha 111.37294
_cell_angle_beta 107.03000
_cell_angle_gamma 89.99997
_cell_volume 320.01721
_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
Sn1 Sn 0.05302 0.33865 0.82527 1.00000
Sn2 Sn 0.44698 0.51339 0.17473 1.00000
Sn3 Sn 0.94698 0.66135 0.17473 1.00000
Sn4 Sn 0.55302 0.48661 0.82527 1.00000
Sn5 Sn 0.95769 0.69141 0.64651 1.00000
Sn6 Sn 0.54231 0.04490 0.35349 1.00000
Sn7 Sn 0.04231 0.30859 0.35349 1.00000
Sn8 Sn 0.45769 0.95510 0.64651 1.00000
Hg1 Hg 0.75000 0.04397 0.00000 1.00000
Hg2 Hg 0.25000 0.95603 1.00000 1.00000
Au1 Au 0.00000 0.00000 0.50000 1.00000
Au2 Au 0.50000 0.50000 0.50000 1.00000
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