Sn2Hg3Au7
Alexandria ALEXAlex-ID: agm005631442 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_112_spg65
Au Hg SnAu
2023-06-13 18:20:07.666752
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005631442).
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 agm005631442
data_agm005631442
_cell_length_a 3.84484
_cell_length_b 4.38564
_cell_length_c 16.39781
_cell_angle_alpha 97.57839
_cell_angle_beta 89.99843
_cell_angle_gamma 90.00348
_cell_volume 274.08570
_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 0.99999 0.92441 0.83491 1.00000
Sn2 Sn 0.00001 0.07559 0.16509 1.00000
Hg1 Hg 0.50000 0.50000 0.00000 1.00000
Hg2 Hg 0.50001 0.73714 0.42351 1.00000
Hg3 Hg 0.49999 0.26286 0.57649 1.00000
Au1 Au 0.00000 0.37157 0.73109 1.00000
Au2 Au 0.00002 0.75596 0.57555 1.00000
Au3 Au 0.00000 0.00000 0.00000 1.00000
Au4 Au 1.00000 0.62843 0.26891 1.00000
Au5 Au 0.50000 0.14119 0.28933 1.00000
Au6 Au 0.50000 0.85881 0.71067 1.00000
Au7 Au 0.99998 0.24404 0.42445 1.00000
Get direct link