UO3
Alexandria ALEXAlex-ID: agm005283215 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3_1797_spg6
UO3
2022-12-02 05:07:12
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005283215).
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 agm005283215
data_agm005283215
_cell_length_a 4.20618
_cell_length_b 4.21103
_cell_length_c 19.76836
_cell_angle_alpha 84.33086
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 348.43115
_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
U1 U 0.00000 0.45127 0.66506 1.00000
U2 U 0.00000 0.35316 0.87721 1.00000
U3 U 0.00000 0.26348 0.09626 1.00000
U4 U 0.00000 0.65095 0.24155 1.00000
U5 U 0.00000 0.54829 0.45365 1.00000
O1 O 0.00000 0.29561 0.99813 1.00000
O2 O 0.00000 0.40228 0.77075 1.00000
O3 O 0.00000 0.49978 0.55921 1.00000
O4 O 0.00000 0.59962 0.34562 1.00000
O5 O 0.25200 0.66057 0.11926 1.00000
O6 O 0.50000 0.54805 0.45338 1.00000
O7 O 0.50000 0.35178 0.87981 1.00000
O8 O 0.50000 0.65457 0.25024 1.00000
O9 O 0.50000 0.45133 0.66530 1.00000
O10 O 0.74800 0.66057 0.11926 1.00000
O11 O 0.00000 0.04878 0.45226 1.00000
O12 O 0.00000 0.95143 0.66477 1.00000
O13 O 0.00000 0.86802 0.84489 1.00000
O14 O 0.00000 0.83308 0.91991 1.00000
O15 O 0.00000 0.16738 0.20733 1.00000
Get direct link