Ce3Pu2Se5
Alexandria ALEXAlex-ID: agm040100692 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C5_176_spg12
Ce2PuSe3 CePu2Se3
2024-12-30 00:25:29
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm040100692).
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 agm040100692
data_agm040100692
_cell_length_a 7.24677
_cell_length_b 7.24677
_cell_length_c 10.24159
_cell_angle_alpha 61.86555
_cell_angle_beta 118.13445
_cell_angle_gamma 146.44748
_cell_volume 258.71453
_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 0.00000 1.00000
Ce2 Ce 0.79790 0.20210 0.19902 1.00000
Ce3 Ce 0.20210 0.79790 0.80098 1.00000
Pu1 Pu 0.59894 0.40106 0.39992 1.00000
Pu2 Pu 0.40106 0.59894 0.60008 1.00000
Se1 Se 0.00000 0.00000 0.50000 1.00000
Se2 Se 0.40179 0.59821 0.10391 1.00000
Se3 Se 0.59821 0.40179 0.89609 1.00000
Se4 Se 0.19938 0.80062 0.30611 1.00000
Se5 Se 0.80062 0.19938 0.69389 1.00000
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