Re4Hg3
Alexandria ALEXAlex-ID: agm005485308 · Space group: I4/mmm (#139)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4_17_spg139
Hg Re
2023-03-21 05:08:39.680488
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005485308).
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 agm005485308
data_agm005485308
_cell_length_a 14.63480
_cell_length_b 14.63480
_cell_length_c 14.63480
_cell_angle_alpha 168.31420
_cell_angle_beta 168.31420
_cell_angle_gamma 16.55511
_cell_volume 128.58115
_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 0.87238 0.87238 0.00000 1.00000
Re2 Re 0.57726 0.57726 0.00000 1.00000
Re3 Re 0.42274 0.42274 0.00000 1.00000
Re4 Re 0.12762 0.12762 0.00000 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Hg2 Hg 0.70469 0.70469 0.00000 1.00000
Hg3 Hg 0.29531 0.29531 0.00000 1.00000
Get direct link