Hg2Rh2S
Alexandria ALEXAlex-ID: agm003012292 · Space group: P4/mbm (#127)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_10_spg127
Rh17S15 Hg Rh
2016-12-05 12:38:16
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003012292).
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 agm003012292
data_agm003012292
_cell_length_a 8.19654
_cell_length_b 8.19654
_cell_length_c 2.83801
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 190.66725
_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
S1 S 0.00000 0.00000 0.00000 1.00000
S2 S 0.50000 0.50000 0.00000 1.00000
Rh1 Rh 0.11774 0.61774 0.50000 1.00000
Rh2 Rh 0.61774 0.88226 0.50000 1.00000
Rh3 Rh 0.88226 0.38226 0.50000 1.00000
Rh4 Rh 0.38226 0.11774 0.50000 1.00000
Hg1 Hg 0.32335 0.82335 0.00000 1.00000
Hg2 Hg 0.82335 0.67665 0.00000 1.00000
Hg3 Hg 0.67665 0.17665 0.00000 1.00000
Hg4 Hg 0.17665 0.32335 0.00000 1.00000
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