Re3Hg2
Alexandria ALEXAlex-ID: agm005409064 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3_74_spg166
Hg Re
2023-03-17 20:05:03.678687
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005409064).
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 agm005409064
data_agm005409064
_cell_length_a 12.10281
_cell_length_b 12.10281
_cell_length_c 12.10281
_cell_angle_alpha 13.60767
_cell_angle_beta 13.60767
_cell_angle_gamma 13.60767
_cell_volume 85.38220
_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 0.00000 0.00000 0.00000 1.00000
Re2 Re 0.80517 0.80517 0.80517 1.00000
Re3 Re 0.19483 0.19483 0.19483 1.00000
Hg1 Hg 0.59880 0.59880 0.59880 1.00000
Hg2 Hg 0.40120 0.40120 0.40120 1.00000
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