LiIn4Hg
Alexandria ALEXAlex-ID: agm005753035 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1230_spg15
Li4InHg3 Li5InHg6 In
2023-07-29 01:56:34.717277
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005753035).
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 agm005753035
data_agm005753035
_cell_length_a 5.58613
_cell_length_b 6.18638
_cell_length_c 9.20408
_cell_angle_alpha 70.36256
_cell_angle_beta 91.79634
_cell_angle_gamma 95.35208
_cell_volume 298.26803
_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 0.25000 0.79511 0.90979 1.00000
Li2 Li 0.75000 0.20489 0.09021 1.00000
In1 In 0.76785 0.29535 0.40717 1.00000
In2 In 0.76748 0.11637 0.77360 1.00000
In3 In 0.26785 0.20252 0.59283 1.00000
In4 In 0.26748 0.38997 0.22640 1.00000
In5 In 0.23215 0.70465 0.59283 1.00000
In6 In 0.73215 0.79748 0.40717 1.00000
In7 In 0.23252 0.88363 0.22640 1.00000
In8 In 0.73252 0.61003 0.77360 1.00000
Hg1 Hg 0.25000 0.29209 0.91582 1.00000
Hg2 Hg 0.75000 0.70791 0.08418 1.00000
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