Pu2UPaO8
Alexandria ALEXAlex-ID: agm019145702 · Space group: Pmmm (#47)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_0_spg164
PuUO4 PuPaO4
2024-12-09 08:08:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019145702).
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 agm019145702
data_agm019145702
_cell_length_a 3.82587
_cell_length_b 5.45419
_cell_length_c 7.66289
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 159.90159
_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 0.00000 0.00000 0.74730 1.00000
Pu2 Pu 0.00000 0.00000 0.25270 1.00000
U1 U 0.50000 0.50000 0.50000 1.00000
Pa1 Pa 0.50000 0.50000 0.00000 1.00000
O1 O 0.50000 0.26009 0.25012 1.00000
O2 O 0.00000 0.26099 0.00000 1.00000
O3 O 0.50000 0.73991 0.25012 1.00000
O4 O 0.50000 0.73991 0.74988 1.00000
O5 O 0.00000 0.73901 0.00000 1.00000
O6 O 0.50000 0.26009 0.74988 1.00000
O7 O 0.00000 0.25951 0.50000 1.00000
O8 O 0.00000 0.74049 0.50000 1.00000
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