Ce3Hg2Rh7
Alexandria ALEXAlex-ID: agm024589566 · Space group: R-3m (#166)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C7_54_spg12
Ce2HgRh5 CeHgRh2
2025-05-17 10:44:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm024589566).
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 agm024589566
data_agm024589566
_cell_length_a 5.47266
_cell_length_b 5.47266
_cell_length_c 9.33064
_cell_angle_alpha 72.94349
_cell_angle_beta 107.05651
_cell_angle_gamma 120.01845
_cell_volume 227.66971
_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
Ce1 Ce 0.00000 0.00000 0.50000 1.00000
Ce2 Ce 0.86193 0.13807 0.08580 1.00000
Ce3 Ce 0.13807 0.86193 0.91420 1.00000
Hg1 Hg 0.66588 0.33412 0.49734 1.00000
Hg2 Hg 0.33412 0.66588 0.50266 1.00000
Rh1 Rh 0.50000 0.50000 0.00000 1.00000
Rh2 Rh 0.40883 0.59117 0.23404 1.00000
Rh3 Rh 0.40861 0.08353 0.23374 1.00000
Rh4 Rh 0.91647 0.59139 0.23374 1.00000
Rh5 Rh 0.59117 0.40883 0.76596 1.00000
Rh6 Rh 0.08353 0.40861 0.76626 1.00000
Rh7 Rh 0.59139 0.91647 0.76626 1.00000
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