Li3In3Hg8
Alexandria ALEXAlex-ID: agm005695563 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C8_61_spg12
Li5InHg6 Hg In
2023-07-01 00:36:06.496041
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005695563).
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 agm005695563
data_agm005695563
_cell_length_a 6.63505
_cell_length_b 7.92731
_cell_length_c 7.93933
_cell_angle_alpha 61.31748
_cell_angle_beta 98.96583
_cell_angle_gamma 98.92484
_cell_volume 360.31697
_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 0.00000 0.00000 1.00000
Li2 Li 0.00161 0.68534 0.31400 1.00000
Li3 Li 0.99839 0.31466 0.68600 1.00000
In1 In 0.50000 0.50000 0.50000 1.00000
In2 In 0.97412 0.11199 0.11266 1.00000
In3 In 0.02588 0.88801 0.88734 1.00000
Hg1 Hg 0.63318 0.08495 0.64038 1.00000
Hg2 Hg 0.36682 0.91505 0.35962 1.00000
Hg3 Hg 0.63489 0.64011 0.08684 1.00000
Hg4 Hg 0.36511 0.35989 0.91316 1.00000
Hg5 Hg 0.81862 0.85129 0.48904 1.00000
Hg6 Hg 0.18138 0.14871 0.51096 1.00000
Hg7 Hg 0.81641 0.48816 0.85372 1.00000
Hg8 Hg 0.18359 0.51184 0.14628 1.00000
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