Pu(ClO3)2
Alexandria ALEXAlex-ID: agm005684775 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C6_3014_spg15
ClO2 PuO3 Cl2O
2023-07-09 07:48:31.610621
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005684775).
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 agm005684775
data_agm005684775
_cell_length_a 6.22159
_cell_length_b 8.50624
_cell_length_c 8.50624
_cell_angle_alpha 64.95841
_cell_angle_beta 94.71394
_cell_angle_gamma 94.71400
_cell_volume 405.91462
_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 0.25000 0.09261 0.90739 1.00000
Pu2 Pu 0.75000 0.90739 0.09261 1.00000
Cl1 Cl 0.24966 0.76121 0.64356 1.00000
Cl2 Cl 0.25034 0.35644 0.23879 1.00000
Cl3 Cl 0.75034 0.23879 0.35644 1.00000
Cl4 Cl 0.74966 0.64356 0.76121 1.00000
O1 O 0.45105 0.78365 0.53503 1.00000
O2 O 0.04895 0.46497 0.21635 1.00000
O3 O 0.54895 0.21635 0.46497 1.00000
O4 O 0.95105 0.53503 0.78365 1.00000
O5 O 0.86699 0.84841 0.31107 1.00000
O6 O 0.63301 0.68893 0.15159 1.00000
O7 O 0.13301 0.15159 0.68893 1.00000
O8 O 0.36699 0.31107 0.84841 1.00000
O9 O 0.09209 0.87818 0.98224 1.00000
O10 O 0.40791 0.01776 0.12182 1.00000
O11 O 0.90791 0.12182 0.01776 1.00000
O12 O 0.59209 0.98224 0.87818 1.00000
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