PuAl2CuH8
Alexandria ALEXAlex-ID: agm007598677 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_557_spg2
PuAlH6 Al4Cu9 AlH9 AlH3
2024-02-07 23:33:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007598677).
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 agm007598677
data_agm007598677
_cell_length_a 4.05907
_cell_length_b 3.74250
_cell_length_c 8.16697
_cell_angle_alpha 88.29275
_cell_angle_beta 97.46665
_cell_angle_gamma 116.73528
_cell_volume 109.80495
_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 0.50000 0.00000 0.50000 1.00000
Al1 Al 0.55018 0.38160 0.85076 1.00000
Al2 Al 0.44982 0.61840 0.14924 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
H1 H 0.89728 0.69078 0.57382 1.00000
H2 H 0.74196 0.11133 0.78101 1.00000
H3 H 0.10272 0.30922 0.42618 1.00000
H4 H 0.34132 0.41849 0.66432 1.00000
H5 H 0.65868 0.58151 0.33568 1.00000
H6 H 0.14437 0.82887 0.87131 1.00000
H7 H 0.85563 0.17113 0.12869 1.00000
H8 H 0.25804 0.88867 0.21899 1.00000
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