Li3Hg2Rh
Alexandria ALEXAlex-ID: agm034781551 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_1840_spg65
LiHg LiRh
2025-04-14 02:41:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034781551).
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 agm034781551
data_agm034781551
_cell_length_a 7.27933
_cell_length_b 7.27933
_cell_length_c 5.99121
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 143.15734
_cell_volume 190.35869
_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 0.32537 0.67463 0.27788 1.00000
Li2 Li 0.00000 0.00000 0.73011 1.00000
Li3 Li 0.67463 0.32537 0.72212 1.00000
Li4 Li 0.32537 0.67463 0.72212 1.00000
Li5 Li 0.67463 0.32537 0.27788 1.00000
Li6 Li 0.00000 0.00000 0.26989 1.00000
Hg1 Hg 0.50000 0.50000 0.50000 1.00000
Hg2 Hg 0.50000 0.50000 0.00000 1.00000
Hg3 Hg 0.83723 0.16277 0.00000 1.00000
Hg4 Hg 0.16277 0.83723 0.00000 1.00000
Rh1 Rh 0.83601 0.16399 0.50000 1.00000
Rh2 Rh 0.16399 0.83601 0.50000 1.00000
Get direct link