Li3Ag3Hg
Alexandria ALEXAlex-ID: agm003549067 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C3_323_spg148
Li3Ag8 Li3AgHg2 LiAg
2022-03-25 10:47:20.556277
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003549067).
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 agm003549067
data_agm003549067
_cell_length_a 7.04027
_cell_length_b 7.04027
_cell_length_c 7.12474
_cell_angle_alpha 60.39140
_cell_angle_beta 60.39140
_cell_angle_gamma 60.00000
_cell_volume 251.17505
_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 0.19740 0.70751 0.18330 1.00000
Li2 Li 0.91179 0.19740 0.18330 1.00000
Li3 Li 0.70751 0.91179 0.18330 1.00000
Li4 Li 0.29249 0.08821 0.81670 1.00000
Li5 Li 0.08821 0.80260 0.81670 1.00000
Li6 Li 0.80260 0.29249 0.81670 1.00000
Ag1 Ag 0.56334 0.74586 0.63675 1.00000
Ag2 Ag 0.74586 0.05405 0.63675 1.00000
Ag3 Ag 0.05405 0.56334 0.63675 1.00000
Ag4 Ag 0.94595 0.43666 0.36325 1.00000
Ag5 Ag 0.25414 0.94595 0.36325 1.00000
Ag6 Ag 0.43666 0.25414 0.36325 1.00000
Hg1 Hg 0.35506 0.35506 0.93483 1.00000
Hg2 Hg 0.64494 0.64494 0.06517 1.00000
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