Pu2ThO8
Alexandria ALEXAlex-ID: agm005995025 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C8_1088_spg12
PuO3 ThO2
2023-09-28 20:20:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005995025).
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 agm005995025
data_agm005995025
_cell_length_a 4.45937
_cell_length_b 7.49818
_cell_length_c 6.31224
_cell_angle_alpha 126.44399
_cell_angle_beta 84.14776
_cell_angle_gamma 90.00232
_cell_volume 168.41844
_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 0.27413 0.36652 0.73307 1.00000
Pu2 Pu 0.72587 0.63348 0.26691 1.00000
Th1 Th 0.00000 0.00000 0.99999 1.00000
O1 O 0.23049 0.57947 0.15890 1.00000
O2 O 0.76951 0.42053 0.84108 1.00000
O3 O 0.74706 0.87895 0.25315 1.00000
O4 O 0.27817 0.16002 0.31994 1.00000
O5 O 0.25298 0.62583 0.74699 1.00000
O6 O 0.25294 0.12105 0.74683 1.00000
O7 O 0.72183 0.83998 0.68004 1.00000
O8 O 0.74702 0.37417 0.25299 1.00000
Get direct link