SnHgAs
Alexandria ALEXAlex-ID: agm005604710 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_8429_spg166
As Hg Sn4As3
2023-06-16 22:20:51.606534
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005604710).
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 agm005604710
data_agm005604710
_cell_length_a 4.09759
_cell_length_b 4.10269
_cell_length_c 12.52698
_cell_angle_alpha 81.10604
_cell_angle_beta 80.64380
_cell_angle_gamma 60.23653
_cell_volume 179.70728
_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 0.37043 0.86186 0.39802 1.00000
Sn2 Sn 0.62957 0.13814 0.60198 1.00000
Hg1 Hg 0.85690 0.34977 0.92773 1.00000
Hg2 Hg 0.14310 0.65023 0.07227 1.00000
As1 As 0.07303 0.55927 0.29234 1.00000
As2 As 0.92697 0.44073 0.70766 1.00000
