Pu4Se3O2
Alexandria ALEXAlex-ID: agm005646697 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_14_spg15
Pu2SeO2 PuSe
2023-06-27 20:54:03.731683
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646697).
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 agm005646697
data_agm005646697
_cell_length_a 6.32834
_cell_length_b 8.07168
_cell_length_c 8.07168
_cell_angle_alpha 75.77880
_cell_angle_beta 89.73051
_cell_angle_gamma 89.73051
_cell_volume 399.66145
_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 0.52751 0.29323 0.94484 1.00000
Pu2 Pu 0.97249 0.05516 0.70677 1.00000
Pu3 Pu 0.47249 0.70677 0.05516 1.00000
Pu4 Pu 0.02751 0.94484 0.29323 1.00000
Pu5 Pu 0.92937 0.41720 0.26055 1.00000
Pu6 Pu 0.57063 0.73945 0.58280 1.00000
Pu7 Pu 0.07063 0.58280 0.73945 1.00000
Pu8 Pu 0.42937 0.26055 0.41720 1.00000
Se1 Se 0.03635 0.24564 0.98736 1.00000
Se2 Se 0.46365 0.01264 0.75436 1.00000
Se3 Se 0.96365 0.75436 0.01264 1.00000
Se4 Se 0.53635 0.98736 0.24564 1.00000
Se5 Se 0.75000 0.40025 0.59975 1.00000
Se6 Se 0.25000 0.59975 0.40025 1.00000
O1 O 0.58771 0.42174 0.16775 1.00000
O2 O 0.91229 0.83225 0.57826 1.00000
O3 O 0.41229 0.57826 0.83225 1.00000
O4 O 0.08771 0.16775 0.42174 1.00000
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