HgRh3(AuS3)2
Alexandria ALEXAlex-ID: agm050609306 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6_286_spg12
Hg(RhS2)2 RhAuS2 Hg
2024-11-27 05:34:40.241652
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm050609306).
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 agm050609306
data_agm050609306
_cell_length_a 7.40195
_cell_length_b 7.40195
_cell_length_c 10.95757
_cell_angle_alpha 58.45726
_cell_angle_beta 121.54274
_cell_angle_gamma 151.69456
_cell_volume 239.68687
_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
Hg1 Hg 0.50000 0.50000 0.50000 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
Rh2 Rh 0.83234 0.16766 0.67018 1.00000
Rh3 Rh 0.16766 0.83234 0.32982 1.00000
Au1 Au 0.83125 0.16875 0.15888 1.00000
Au2 Au 0.16875 0.83125 0.84112 1.00000
S1 S 0.34849 0.65151 0.54227 1.00000
S2 S 0.68774 0.31226 0.20139 1.00000
S3 S 0.65151 0.34849 0.45773 1.00000
S4 S 0.01989 0.98011 0.87347 1.00000
S5 S 0.98011 0.01989 0.12653 1.00000
S6 S 0.31226 0.68774 0.79861 1.00000
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