PuPa14Al
Alexandria ALEXAlex-ID: agm005804974 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC14_11_spg38
Pa7Al Pu Pa
2023-07-18 15:25:15.487937
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005804974).
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 agm005804974
data_agm005804974
_cell_length_a 6.36894
_cell_length_b 6.36894
_cell_length_c 10.98337
_cell_angle_alpha 89.99998
_cell_angle_beta 89.99998
_cell_angle_gamma 60.39662
_cell_volume 387.36679
_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 0.36611 0.63389 0.00000 1.00000
Pa1 Pa 0.37478 0.62522 0.50000 1.00000
Pa2 Pa 0.87409 0.12591 0.50000 1.00000
Pa3 Pa 0.89548 0.62258 1.00000 1.00000
Pa4 Pa 0.87630 0.62380 0.50000 1.00000
Pa5 Pa 0.37742 0.10452 0.00000 1.00000
Pa6 Pa 0.37620 0.12370 0.50000 1.00000
Pa7 Pa 0.62516 0.87309 0.75290 1.00000
Pa8 Pa 0.62516 0.87309 0.24710 1.00000
Pa9 Pa 0.12691 0.37484 0.75290 1.00000
Pa10 Pa 0.12691 0.37484 0.24710 1.00000
Pa11 Pa 0.11779 0.88221 0.75345 1.00000
Pa12 Pa 0.11779 0.88221 0.24655 1.00000
Pa13 Pa 0.62547 0.37453 0.75465 1.00000
Pa14 Pa 0.62547 0.37453 0.24535 1.00000
Al1 Al 0.86896 0.13104 0.00000 1.00000
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