Pu(AlB)2
Alexandria ALEXAlex-ID: agm002256404 · Space group: Fddd (#70)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_172_spg15
PuAlB4 PuAl3
2019-01-06 21:34:36
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002256404).
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
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# CIF generated by HEAS from Alexandria entry agm002256404
data_agm002256404
_cell_length_a 5.81427
_cell_length_b 5.81427
_cell_length_c 5.87102
_cell_angle_alpha 113.40643
_cell_angle_beta 113.40643
_cell_angle_gamma 101.40540
_cell_volume 151.52635
_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
B1 B 0.83233 0.16767 0.75000 1.00000
B2 B 0.58233 0.41767 0.25000 1.00000
B3 B 0.41767 0.58233 0.75000 1.00000
B4 B 0.16767 0.83233 0.25000 1.00000
Al1 Al 0.76440 0.51440 0.02880 1.00000
Al2 Al 0.51440 0.76440 0.52880 1.00000
Al3 Al 0.23560 0.48560 0.97120 1.00000
Al4 Al 0.48560 0.23560 0.47120 1.00000
Pu1 Pu 0.12500 0.87500 0.75000 1.00000
Pu2 Pu 0.87500 0.12500 0.25000 1.00000
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