Li6In8Hg
Alexandria ALEXAlex-ID: agm073003302 · Space group: R-3 (#148)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB6C8_404_spg148
Li3InHg2 LiIn In
2024-10-06 16:10:30.648984
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073003302).
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 agm073003302
data_agm073003302
_cell_length_a 7.37643
_cell_length_b 7.37643
_cell_length_c 7.37643
_cell_angle_alpha 66.89936
_cell_angle_beta 66.89936
_cell_angle_gamma 66.89936
_cell_volume 325.81863
_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 0.95399 0.62795 0.28010 1.00000
Li2 Li 0.62795 0.28010 0.95399 1.00000
Li3 Li 0.28010 0.95399 0.62795 1.00000
Li4 Li 0.04601 0.37205 0.71990 1.00000
Li5 Li 0.37205 0.71990 0.04601 1.00000
Li6 Li 0.71990 0.04601 0.37205 1.00000
In1 In 0.66412 0.66412 0.66412 1.00000
In2 In 0.33588 0.33588 0.33588 1.00000
In3 In 0.21864 0.53685 0.88159 1.00000
In4 In 0.53685 0.88159 0.21864 1.00000
In5 In 0.88159 0.21864 0.53685 1.00000
In6 In 0.78136 0.46315 0.11841 1.00000
In7 In 0.46315 0.11841 0.78136 1.00000
In8 In 0.11841 0.78136 0.46315 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
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