Pu2Hg2Bi
Alexandria ALEXAlex-ID: agm005889686 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_861_spg139
Pu4Bi3 PuHg2Bi PuHg2
2023-08-04 07:50:32.496833
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005889686).
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 agm005889686
data_agm005889686
_cell_length_a 4.13668
_cell_length_b 11.10125
_cell_length_c 30.33855
_cell_angle_alpha 13.11330
_cell_angle_beta 86.09068
_cell_angle_gamma 79.26202
_cell_volume 267.45996
_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
Pu1 Pu 0.45088 0.75336 0.84487 1.00000
Pu2 Pu 0.95089 0.25335 0.34487 1.00000
Pu3 Pu 0.54912 0.24664 0.15513 1.00000
Pu4 Pu 0.04911 0.74665 0.65513 1.00000
Hg1 Hg 0.35009 0.24451 0.55531 1.00000
Hg2 Hg 0.14991 0.25549 0.94469 1.00000
Hg3 Hg 0.64991 0.75549 0.44469 1.00000
Hg4 Hg 0.85009 0.74451 0.05531 1.00000
Bi1 Bi 0.25000 0.75000 0.25000 1.00000
Bi2 Bi 0.75000 0.25000 0.75000 1.00000
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