PuPa5P6
Alexandria ALEXAlex-ID: agm034808821 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6_53_spg71
PuPa5P6
2025-02-03 00:33:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm034808821).
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 agm034808821
data_agm034808821
_cell_length_a 8.88383
_cell_length_b 8.88383
_cell_length_c 7.94362
_cell_angle_alpha 77.13404
_cell_angle_beta 102.86596
_cell_angle_gamma 154.15931
_cell_volume 266.03381
_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 0.50000 0.50000 1.00000
Pa1 Pa 0.83323 0.16677 0.16685 1.00000
Pa2 Pa 0.16677 0.83323 0.83315 1.00000
Pa3 Pa 0.50000 0.50000 0.00000 1.00000
Pa4 Pa 0.83350 0.16650 0.66639 1.00000
Pa5 Pa 0.16650 0.83350 0.33361 1.00000
P1 P 0.33328 0.66672 0.41667 1.00000
P2 P 0.66643 0.33357 0.08337 1.00000
P3 P 0.66672 0.33328 0.58333 1.00000
P4 P 0.00012 0.99988 0.75039 1.00000
P5 P 0.99988 0.00012 0.24961 1.00000
P6 P 0.33357 0.66643 0.91663 1.00000
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