Re2Hg3O8
Alexandria ALEXAlex-ID: agm005646347 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C8_340_spg166
ReHgO4 Hg
2023-06-16 06:14:23.056886
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646347).
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 agm005646347
data_agm005646347
_cell_length_a 6.50043
_cell_length_b 6.50043
_cell_length_c 9.62261
_cell_angle_alpha 70.25898
_cell_angle_beta 70.25896
_cell_angle_gamma 59.99996
_cell_volume 324.24701
_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 0.35976 0.35976 0.92071 1.00000
Re2 Re 0.64024 0.64024 0.07929 1.00000
Hg1 Hg 0.00000 0.00000 0.00000 1.00000
Hg2 Hg 0.16353 0.16353 0.50940 1.00000
Hg3 Hg 0.83647 0.83647 0.49060 1.00000
O1 O 0.29485 0.29485 0.11544 1.00000
O2 O 0.70515 0.70515 0.88456 1.00000
O3 O 0.23076 0.67938 0.85910 1.00000
O4 O 0.67938 0.23076 0.85910 1.00000
O5 O 0.23076 0.23076 0.85910 1.00000
O6 O 0.32062 0.76924 0.14090 1.00000
O7 O 0.76924 0.32062 0.14090 1.00000
O8 O 0.76924 0.76924 0.14090 1.00000
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