ReHg4Au
Alexandria ALEXAlex-ID: agm013337640 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_1108_spg12
Re Hg Au
2024-06-24 11:49:22.305527
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013337640).
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 agm013337640
data_agm013337640
_cell_length_a 9.28535
_cell_length_b 9.28535
_cell_length_c 4.48979
_cell_angle_alpha 68.54963
_cell_angle_beta 68.54963
_cell_angle_gamma 111.59053
_cell_volume 273.36774
_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 0.96648 0.03352 0.75000 1.00000
Re2 Re 0.03352 0.96648 0.25000 1.00000
Hg1 Hg 0.23948 0.38192 0.55041 1.00000
Hg2 Hg 0.68025 0.05707 0.18621 1.00000
Hg3 Hg 0.61808 0.76052 0.94959 1.00000
Hg4 Hg 0.94293 0.31975 0.31379 1.00000
Hg5 Hg 0.05707 0.68025 0.68621 1.00000
Hg6 Hg 0.38192 0.23948 0.05041 1.00000
Hg7 Hg 0.31975 0.94293 0.81379 1.00000
Hg8 Hg 0.76052 0.61808 0.44959 1.00000
Au1 Au 0.65023 0.34977 0.25000 1.00000
Au2 Au 0.34977 0.65023 0.75000 1.00000
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