K3Pu2O4
Alexandria ALEXAlex-ID: agm005688074 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C4_992_spg12
K2PuO3 Pu2O3 K
2023-06-27 20:38:52.061387
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005688074).
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 agm005688074
data_agm005688074
_cell_length_a 3.80095
_cell_length_b 6.64083
_cell_length_c 8.20027
_cell_angle_alpha 80.80412
_cell_angle_beta 76.59944
_cell_angle_gamma 73.37055
_cell_volume 191.95682
_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
K1 K 0.00000 0.00000 0.00000 1.00000
K2 K 0.20663 0.40348 0.18326 1.00000
K3 K 0.79337 0.59652 0.81674 1.00000
Pu1 Pu 0.60595 0.17567 0.61244 1.00000
Pu2 Pu 0.39405 0.82433 0.38756 1.00000
O1 O 0.80801 0.03028 0.35369 1.00000
O2 O 0.19199 0.96972 0.64631 1.00000
O3 O 0.43328 0.28325 0.85019 1.00000
O4 O 0.56672 0.71675 0.14981 1.00000
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