Li4Mg3Hg
Alexandria ALEXAlex-ID: agm005993520 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4_344_spg139
Li2Mg2Hg Li3Mg5 Li3Hg
2023-09-28 20:35:37.611179
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005993520).
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 agm005993520
data_agm005993520
_cell_length_a 4.41045
_cell_length_b 4.41265
_cell_length_c 8.62452
_cell_angle_alpha 104.76361
_cell_angle_beta 104.81463
_cell_angle_gamma 90.00001
_cell_volume 156.53000
_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
Mg1 Mg 0.00000 0.50000 0.00000 1.00000
Mg2 Mg 0.75137 0.25210 0.50275 1.00000
Mg3 Mg 0.24863 0.74790 0.49725 1.00000
Hg1 Hg 0.50000 0.00000 0.00000 1.00000
Li1 Li 0.38011 0.37923 0.76023 1.00000
Li2 Li 0.61989 0.62077 0.23977 1.00000
Li3 Li 0.11987 0.12005 0.23975 1.00000
Li4 Li 0.88013 0.87995 0.76025 1.00000
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