LiSn2HgRh4
Alexandria ALEXAlex-ID: agm045683754 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D4_43_spg5
LiSnRh2 SnRh2 Hg
2024-11-10 08:28:32.045110
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm045683754).
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 agm045683754
data_agm045683754
_cell_length_a 7.86474
_cell_length_b 7.86474
_cell_length_c 7.86474
_cell_angle_alpha 33.07792
_cell_angle_beta 33.07792
_cell_angle_gamma 33.07792
_cell_volume 128.97025
_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
Li1 Li 0.50000 0.50000 0.50000 1.00000
Sn1 Sn 0.75481 0.75481 0.75481 1.00000
Sn2 Sn 0.24519 0.24519 0.24519 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.37862 0.37862 0.37862 1.00000
Rh2 Rh 0.87414 0.87414 0.87414 1.00000
Rh3 Rh 0.12586 0.12586 0.12586 1.00000
Rh4 Rh 0.62138 0.62138 0.62138 1.00000
Get direct link