Pu(HgBi2)2
Alexandria ALEXAlex-ID: agm005993889 · Space group: Cmmm (#65)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_2492_spg65
PuBi2 Bi Hg
2023-09-27 14:47:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005993889).
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 agm005993889
data_agm005993889
_cell_length_a 4.79452
_cell_length_b 6.65945
_cell_length_c 6.65945
_cell_angle_alpha 94.60509
_cell_angle_beta 90.00036
_cell_angle_gamma 89.99973
_cell_volume 211.94229
_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
Bi1 Bi 0.00000 0.77377 0.77377 1.00000
Bi2 Bi 1.00000 0.22623 0.22623 1.00000
Bi3 Bi 0.50000 0.00000 0.50000 1.00000
Bi4 Bi 0.50000 0.50000 0.00000 1.00000
Hg1 Hg 1.00000 0.74500 0.25500 1.00000
Hg2 Hg 0.00000 0.25500 0.74500 1.00000
Pu1 Pu 0.50000 0.50000 0.50000 1.00000
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