Li2Ag4Hg3
Alexandria ALEXAlex-ID: agm005644355 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_1067_spg12
Li5AgHg6 Hg Ag
2023-06-27 08:13:42.705138
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644355).
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 agm005644355
data_agm005644355
_cell_length_a 4.05973
_cell_length_b 5.26415
_cell_length_c 9.13645
_cell_angle_alpha 109.29943
_cell_angle_beta 90.00000
_cell_angle_gamma 112.68111
_cell_volume 168.20052
_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 0.66903 0.33806 0.21945 1.00000
Li2 Li 0.33097 0.66194 0.78055 1.00000
Ag1 Ag 0.33407 0.66814 0.10791 1.00000
Ag2 Ag 0.99778 0.99556 0.67381 1.00000
Ag3 Ag 0.00222 0.00444 0.32619 1.00000
Ag4 Ag 0.66593 0.33186 0.89209 1.00000
Hg1 Hg 0.67168 0.34335 0.57111 1.00000
Hg2 Hg 0.00000 0.00000 0.00000 1.00000
Hg3 Hg 0.32832 0.65665 0.42889 1.00000
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