ReHg2
Alexandria ALEXAlex-ID: agm005462971 · Space group: I4/mcm (#140)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2_36_spg12
Hg Re
2023-03-21 18:30:37.929014
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005462971).
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 agm005462971
data_agm005462971
_cell_length_a 5.61063
_cell_length_b 5.61063
_cell_length_c 5.61063
_cell_angle_alpha 103.02111
_cell_angle_beta 103.02111
_cell_angle_gamma 123.32449
_cell_volume 129.89190
_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
Re1 Re 0.75000 0.75000 0.00000 1.00000
Re2 Re 0.25000 0.25000 0.00000 1.00000
Hg1 Hg 0.19069 0.30931 0.50000 1.00000
Hg2 Hg 0.30931 0.80931 0.11862 1.00000
Hg3 Hg 0.69069 0.19069 0.88138 1.00000
Hg4 Hg 0.80931 0.69069 0.50000 1.00000
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