La4ReHg
Alexandria ALEXAlex-ID: agm005811366 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_180_spg2
La2Hg La Re
2023-07-28 21:22:18.785085
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005811366).
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 agm005811366
data_agm005811366
_cell_length_a 6.44097
_cell_length_b 8.13724
_cell_length_c 8.13723
_cell_angle_alpha 112.55162
_cell_angle_beta 99.99724
_cell_angle_gamma 99.99726
_cell_volume 374.12447
_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
La1 La 0.89105 0.63988 0.79483 1.00000
La2 La 0.04893 0.93796 0.27676 1.00000
La3 La 0.60895 0.20517 0.36012 1.00000
La4 La 0.45107 0.72324 0.06204 1.00000
La5 La 0.54893 0.27676 0.93796 1.00000
La6 La 0.39105 0.79483 0.63988 1.00000
La7 La 0.95107 0.06204 0.72324 1.00000
La8 La 0.10895 0.36012 0.20517 1.00000
Re1 Re 0.25000 0.00164 0.99836 1.00000
Re2 Re 0.75000 0.99836 0.00164 1.00000
Hg1 Hg 0.75000 0.62333 0.37667 1.00000
Hg2 Hg 0.25000 0.37667 0.62333 1.00000
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