LiSmHg5
Alexandria ALEXAlex-ID: agm005751202 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_819_spg65
SmHg3 Hg LiHg
2023-07-14 08:41:33.105789
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005751202).
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 agm005751202
data_agm005751202
_cell_length_a 5.34212
_cell_length_b 5.34212
_cell_length_c 6.66480
_cell_angle_alpha 90.00111
_cell_angle_beta 89.99966
_cell_angle_gamma 106.40386
_cell_volume 182.45984
_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 0.50000 0.50000 0.50000 1.00000
Sm1 Sm 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.50000 0.99999 0.24939 1.00000
Hg2 Hg 0.99997 0.50000 0.24939 1.00000
Hg3 Hg 0.00000 0.00000 0.50000 1.00000
Hg4 Hg 0.00003 0.50000 0.75061 1.00000
Hg5 Hg 0.50000 0.00001 0.75061 1.00000
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