Li3HgRh2
Alexandria ALEXAlex-ID: agm017490904 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2864_spg71
LiHg LiRh
2025-04-14 02:42:14
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017490904).
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 agm017490904
data_agm017490904
_cell_length_a 5.25954
_cell_length_b 4.62757
_cell_length_c 7.30591
_cell_angle_alpha 90.00000
_cell_angle_beta 92.46297
_cell_angle_gamma 90.00000
_cell_volume 177.65317
_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 0.08056 0.25000 0.59578 1.00000
Li2 Li 0.25015 0.75000 0.74998 1.00000
Li3 Li 0.58065 0.75000 0.09566 1.00000
Li4 Li 0.41935 0.25000 0.90434 1.00000
Li5 Li 0.74985 0.25000 0.25002 1.00000
Li6 Li 0.91944 0.75000 0.40422 1.00000
Hg1 Hg 0.75011 0.75000 0.74995 1.00000
Hg2 Hg 0.24989 0.25000 0.25005 1.00000
Rh1 Rh 0.92110 0.25000 0.92456 1.00000
Rh2 Rh 0.07890 0.75000 0.07544 1.00000
Rh3 Rh 0.42120 0.75000 0.42450 1.00000
Rh4 Rh 0.57880 0.25000 0.57550 1.00000
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