HgB5Rh8
Alexandria ALEXAlex-ID: agm006114891 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C8_3_spg8
B3Rh4 BRh2 Hg
2023-08-11 01:48:45.097939
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006114891).
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 agm006114891
data_agm006114891
_cell_length_a 3.10990
_cell_length_b 7.57737
_cell_length_c 7.65127
_cell_angle_alpha 101.70252
_cell_angle_beta 101.72577
_cell_angle_gamma 90.00001
_cell_volume 172.70901
_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 0.50001 0.00000 1.00000
B1 B 0.29963 0.66441 0.59925 1.00000
B2 B 0.70033 0.33554 0.40067 1.00000
B3 B 0.34167 0.01408 0.68334 1.00000
B4 B 0.65838 0.98598 0.31676 1.00000
B5 B 0.99999 0.99996 0.99997 1.00000
Rh1 Rh 0.23609 0.16376 0.47217 1.00000
Rh2 Rh 0.76395 0.83627 0.52789 1.00000
Rh3 Rh 0.16746 0.49724 0.33492 1.00000
Rh4 Rh 0.83250 0.50274 0.66500 1.00000
Rh5 Rh 0.09706 0.82379 0.19412 1.00000
Rh6 Rh 0.90297 0.17628 0.80594 1.00000
Rh7 Rh 0.43363 0.83217 0.86726 1.00000
Rh8 Rh 0.56635 0.16775 0.13270 1.00000
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