Li3Hg2Pt
Alexandria ALEXAlex-ID: agm005707218 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3_2157_spg65
LiHg LiPt
2023-08-29 16:56:51.451160
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005707218).
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 agm005707218
data_agm005707218
_cell_length_a 4.62648
_cell_length_b 7.24217
_cell_length_c 6.07577
_cell_angle_alpha 90.00011
_cell_angle_beta 90.00034
_cell_angle_gamma 74.16194
_cell_volume 195.84495
_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 0.83574 0.35135 0.77916 1.00000
Li2 Li 0.50000 0.00000 0.22995 1.00000
Li3 Li 0.16426 0.64865 0.22084 1.00000
Li4 Li 0.83574 0.35135 0.22084 1.00000
Li5 Li 0.16426 0.64865 0.77916 1.00000
Li6 Li 0.50000 1.00000 0.77005 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Hg2 Hg 0.00000 0.00000 0.50000 1.00000
Hg3 Hg 0.34385 0.32859 0.50000 1.00000
Hg4 Hg 0.65615 0.67141 0.50000 1.00000
Pt1 Pt 0.34977 0.32629 1.00000 1.00000
Pt2 Pt 0.65023 0.67371 0.00000 1.00000
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