CePu2O8
Alexandria ALEXAlex-ID: agm005995015 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_545_spg12
PuO3 CeO2
2023-09-28 07:04:22
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995015).
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 agm005995015
data_agm005995015
_cell_length_a 4.41317
_cell_length_b 7.46258
_cell_length_c 6.31165
_cell_angle_alpha 126.26238
_cell_angle_beta 85.43896
_cell_angle_gamma 89.99980
_cell_volume 166.78858
_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
Ce1 Ce 0.00000 0.00000 0.99999 1.00000
Pu1 Pu 0.26945 0.36547 0.73104 1.00000
Pu2 Pu 0.73055 0.63453 0.26894 1.00000
O1 O 0.23384 0.57987 0.15972 1.00000
O2 O 0.76616 0.42013 0.84026 1.00000
O3 O 0.74476 0.87858 0.25878 1.00000
O4 O 0.26252 0.15180 0.30357 1.00000
O5 O 0.25531 0.61975 0.74140 1.00000
O6 O 0.25524 0.12142 0.74120 1.00000
O7 O 0.73748 0.84820 0.69642 1.00000
O8 O 0.74469 0.38025 0.25859 1.00000
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