Pu2Al6Ga
Alexandria ALEXAlex-ID: agm005668643 · Space group: P-3m1 (#164)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_687_spg164
Pu3Al7Ga4 PuAl3 Al19Ga
2023-07-12 08:11:57.259550
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668643).
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 agm005668643
data_agm005668643
_cell_length_a 5.80152
_cell_length_b 5.80152
_cell_length_c 5.98401
_cell_angle_alpha 89.99996
_cell_angle_beta 89.99931
_cell_angle_gamma 59.99981
_cell_volume 174.42391
_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 0.66666 0.66667 0.12336 1.00000
Pu2 Pu 0.33334 0.33333 0.87664 1.00000
Al1 Al 0.82328 0.82327 0.66592 1.00000
Al2 Al 0.35345 0.82327 0.66591 1.00000
Al3 Al 0.82328 0.35344 0.66592 1.00000
Al4 Al 0.17672 0.17673 0.33408 1.00000
Al5 Al 0.64655 0.17673 0.33409 1.00000
Al6 Al 0.17672 0.64656 0.33408 1.00000
Ga1 Ga 0.00000 0.00000 0.00000 1.00000
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