LiIn6Hg7
Alexandria ALEXAlex-ID: agm005582913 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C7_60_spg72
Li5InHg6 Hg In
2023-06-09 01:54:57.095146
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005582913).
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 agm005582913
data_agm005582913
_cell_length_a 6.56918
_cell_length_b 10.91776
_cell_length_c 10.91776
_cell_angle_alpha 84.59762
_cell_angle_beta 74.61696
_cell_angle_gamma 74.61692
_cell_volume 727.69131
_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 0.75000 0.25540 0.24460 1.00000
Li2 Li 0.25000 0.74460 0.75540 1.00000
In1 In 0.54657 0.35191 0.00621 1.00000
In2 In 0.10519 0.00756 0.35106 1.00000
In3 In 0.95343 0.49379 0.14809 1.00000
In4 In 0.39481 0.14894 0.49244 1.00000
In5 In 0.45343 0.64809 0.99379 1.00000
In6 In 0.89481 0.99244 0.64894 1.00000
In7 In 0.04657 0.50621 0.85191 1.00000
In8 In 0.60519 0.85106 0.50756 1.00000
In9 In 0.04670 0.72904 0.27093 1.00000
In10 In 0.95330 0.27096 0.72907 1.00000
In11 In 0.45330 0.22907 0.77096 1.00000
In12 In 0.54670 0.77093 0.22904 1.00000
Hg1 Hg 0.71151 0.04832 0.94791 1.00000
Hg2 Hg 0.28849 0.95168 0.05209 1.00000
Hg3 Hg 0.78849 0.55209 0.45168 1.00000
Hg4 Hg 0.21151 0.44791 0.54832 1.00000
Hg5 Hg 0.45796 0.49413 0.27639 1.00000
Hg6 Hg 0.78062 0.26979 0.48798 1.00000
Hg7 Hg 0.04204 0.22361 0.00587 1.00000
Hg8 Hg 0.71938 0.01202 0.23021 1.00000
Hg9 Hg 0.54204 0.50587 0.72361 1.00000
Hg10 Hg 0.21938 0.73021 0.51202 1.00000
Hg11 Hg 0.95796 0.77639 0.99413 1.00000
Hg12 Hg 0.28062 0.98798 0.76979 1.00000
Hg13 Hg 0.25000 0.25467 0.24533 1.00000
Hg14 Hg 0.75000 0.74533 0.75467 1.00000
