Cd5Hg5Bi2
Alexandria ALEXAlex-ID: agm005653409 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5_131_spg2
Cd Hg Bi
2023-06-18 22:49:18.837895
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005653409).
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 agm005653409
data_agm005653409
_cell_length_a 5.67477
_cell_length_b 7.32093
_cell_length_c 9.40084
_cell_angle_alpha 110.96366
_cell_angle_beta 72.19828
_cell_angle_gamma 75.84473
_cell_volume 318.54171
_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
Cd1 Cd 0.72143 0.20231 0.38126 1.00000
Cd2 Cd 0.93687 0.27870 0.80284 1.00000
Cd3 Cd 0.06313 0.72130 0.19716 1.00000
Cd4 Cd 0.27857 0.79769 0.61874 1.00000
Cd5 Cd 0.00000 0.00000 0.00000 1.00000
Hg1 Hg 0.00000 0.50000 0.50000 1.00000
Hg2 Hg 0.63992 0.76721 0.96230 1.00000
Hg3 Hg 0.29099 0.03057 0.38653 1.00000
Hg4 Hg 0.70901 0.96943 0.61347 1.00000
Hg5 Hg 0.36008 0.23279 0.03770 1.00000
Bi1 Bi 0.36687 0.48445 0.77375 1.00000
Bi2 Bi 0.63313 0.51555 0.22625 1.00000
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