Sr2Hg8Au3
Alexandria ALEXAlex-ID: agm005647979 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_171_spg12
SrHg3 SrAu2 Hg
2023-06-16 10:36:19.288753
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005647979).
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 agm005647979
data_agm005647979
_cell_length_a 5.42735
_cell_length_b 7.45354
_cell_length_c 9.18761
_cell_angle_alpha 113.93060
_cell_angle_beta 98.56652
_cell_angle_gamma 90.00000
_cell_volume 335.17518
_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
Sr1 Sr 0.75834 0.82819 0.65638 1.00000
Sr2 Sr 0.24166 0.17181 0.34362 1.00000
Hg1 Hg 0.71602 0.45487 0.90975 1.00000
Hg2 Hg 0.28398 0.54513 0.09025 1.00000
Hg3 Hg 0.19945 0.71318 0.42636 1.00000
Hg4 Hg 0.80055 0.28682 0.57364 1.00000
Hg5 Hg 0.72240 0.40886 0.27005 1.00000
Hg6 Hg 0.72240 0.86119 0.27005 1.00000
Hg7 Hg 0.27760 0.13881 0.72995 1.00000
Hg8 Hg 0.27760 0.59114 0.72995 1.00000
Au1 Au 0.50000 0.00000 0.00000 1.00000
Au2 Au 0.00000 0.81748 0.00000 1.00000
Au3 Au 1.00000 0.18252 1.00000 1.00000
Get direct link