Cs2Pu3O6
Alexandria ALEXAlex-ID: agm005599028 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6_107_spg12
Cs2Pu3O6
2023-06-12 18:37:30.309530
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005599028).
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 agm005599028
data_agm005599028
_cell_length_a 6.18094
_cell_length_b 6.17872
_cell_length_c 7.31551
_cell_angle_alpha 81.97707
_cell_angle_beta 73.79719
_cell_angle_gamma 59.98810
_cell_volume 232.31321
_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
Cs1 Cs 0.16685 0.66630 0.50000 1.00000
Cs2 Cs 0.83315 0.33370 0.50000 1.00000
Pu1 Pu 0.00000 0.00000 0.00000 1.00000
Pu2 Pu 0.33438 0.33125 0.00000 1.00000
Pu3 Pu 0.66562 0.66875 1.00000 1.00000
O1 O 0.38417 0.66160 0.84618 1.00000
O2 O 0.72249 1.00000 0.84607 1.00000
O3 O 0.04577 0.33840 0.84618 1.00000
O4 O 0.27751 0.00000 0.15393 1.00000
O5 O 0.61583 0.33840 0.15382 1.00000
O6 O 0.95423 0.66160 0.15382 1.00000
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