Si3Hg4
Alexandria ALEXAlex-ID: agm005486528 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_118_spg139
Hg Si
2023-03-18 02:38:33.839801
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005486528).
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 agm005486528
data_agm005486528
_cell_length_a 13.79907
_cell_length_b 13.79907
_cell_length_c 13.79907
_cell_angle_alpha 165.89233
_cell_angle_beta 165.89233
_cell_angle_gamma 20.00231
_cell_volume 156.08799
_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
Si1 Si 0.00000 0.00000 0.00000 1.00000
Si2 Si 0.76016 0.76016 0.00000 1.00000
Si3 Si 0.23984 0.23984 0.00000 1.00000
Hg1 Hg 0.85564 0.85564 0.00000 1.00000
Hg2 Hg 0.14436 0.14436 0.00000 1.00000
Hg3 Hg 0.56692 0.56692 0.00000 1.00000
Hg4 Hg 0.43308 0.43308 0.00000 1.00000
Get direct link