CePuIO2
Alexandria ALEXAlex-ID: agm005010309 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD2_1922_spg11
Pu2O3 CeIO Pu
2022-07-04 22:06:15.261707
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005010309).
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 agm005010309
data_agm005010309
_cell_length_a 4.12447
_cell_length_b 7.30822
_cell_length_c 8.08629
_cell_angle_alpha 106.66592
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 233.50258
_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 0.25000 0.66747 0.91970 1.00000
Ce2 Ce 0.75000 0.33253 0.08030 1.00000
Pu1 Pu 0.25000 0.65474 0.41493 1.00000
Pu2 Pu 0.75000 0.34526 0.58507 1.00000
I1 I 0.25000 0.04948 0.75516 1.00000
I2 I 0.75000 0.95052 0.24484 1.00000
O1 O 0.75000 0.49687 0.37038 1.00000
O2 O 0.25000 0.50313 0.62962 1.00000
O3 O 0.75000 0.51324 0.88305 1.00000
O4 O 0.25000 0.48676 0.11695 1.00000
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