Pu(PaBi2)2
Alexandria ALEXAlex-ID: agm003455035 · Space group: Imma (#74)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_191_spg122
Pa4Bi5 Pu3PaBi5 PaBi2
2022-02-16 06:30:30.545444
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003455035).
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 agm003455035
data_agm003455035
_cell_length_a 10.26994
_cell_length_b 8.54065
_cell_length_c 8.54065
_cell_angle_alpha 71.04574
_cell_angle_beta 53.04135
_cell_angle_gamma 53.04135
_cell_volume 477.53100
_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 0.00000 0.50000 0.00000 1.00000
Pu2 Pu 0.50000 0.50000 0.00000 1.00000
Pa1 Pa 0.11705 0.13295 0.63295 1.00000
Pa2 Pa 0.50000 0.00000 0.00000 1.00000
Pa3 Pa 0.50000 0.50000 0.50000 1.00000
Pa4 Pa 0.88295 0.86705 0.36705 1.00000
Bi1 Bi 0.17720 0.38769 0.25791 1.00000
Bi2 Bi 0.17720 0.75791 0.88769 1.00000
Bi3 Bi 0.39773 0.16882 0.66882 1.00000
Bi4 Bi 0.76462 0.16882 0.66882 1.00000
Bi5 Bi 0.23538 0.83118 0.33118 1.00000
Bi6 Bi 0.82280 0.24209 0.11231 1.00000
Bi7 Bi 0.60227 0.83118 0.33118 1.00000
Bi8 Bi 0.82280 0.61231 0.74209 1.00000
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