Ba3(Hg2Rh)2
Alexandria ALEXAlex-ID: agm005674334 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_272_spg12
BaHg BaHg2 Rh
2023-06-28 01:27:24.169560
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005674334).
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 agm005674334
data_agm005674334
_cell_length_a 4.62455
_cell_length_b 6.72285
_cell_length_c 10.06949
_cell_angle_alpha 69.43164
_cell_angle_beta 76.72458
_cell_angle_gamma 69.88271
_cell_volume 273.10781
_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
Ba1 Ba 0.31720 0.73257 0.63302 1.00000
Ba2 Ba 0.00000 0.00000 0.00000 1.00000
Ba3 Ba 0.68280 0.26743 0.36698 1.00000
Hg1 Hg 0.27298 0.37076 0.08328 1.00000
Hg2 Hg 0.72702 0.62924 0.91672 1.00000
Hg3 Hg 0.03198 0.29411 0.64194 1.00000
Hg4 Hg 0.96802 0.70589 0.35806 1.00000
Rh1 Rh 0.38799 0.95369 0.27034 1.00000
Rh2 Rh 0.61201 0.04631 0.72966 1.00000
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