Li2Hg2Pd3
Alexandria ALEXAlex-ID: agm010068320 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3_30_spg166
LiHgPd2 LiHgPd
2025-02-24 20:06:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010068320).
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
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# CIF generated by HEAS from Alexandria entry agm010068320
data_agm010068320
_cell_length_a 4.91076
_cell_length_b 4.91076
_cell_length_c 6.48715
_cell_angle_alpha 81.72264
_cell_angle_beta 98.27736
_cell_angle_gamma 131.93490
_cell_volume 114.92255
_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 0.20363 0.79637 0.16154 1.00000
Li2 Li 0.79637 0.20363 0.83846 1.00000
Hg1 Hg 0.08524 0.91476 0.73064 1.00000
Hg2 Hg 0.91476 0.08524 0.26936 1.00000
Pd1 Pd 0.50000 0.50000 0.00000 1.00000
Pd2 Pd 0.36091 0.63909 0.57461 1.00000
Pd3 Pd 0.63909 0.36091 0.42539 1.00000
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