U6O11
Alexandria ALEXAlex-ID: agm005287970 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A6B11_12_spg8
UO2 U
2023-05-07 11:56:14.812641
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287970).
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 agm005287970
data_agm005287970
_cell_length_a 6.65928
_cell_length_b 6.65928
_cell_length_c 6.66248
_cell_angle_alpha 80.39190
_cell_angle_beta 80.39190
_cell_angle_gamma 119.97802
_cell_volume 241.25719
_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 0.83363 0.16565 0.50231 1.00000
U2 U 0.16565 0.83363 0.50231 1.00000
U3 U 0.68273 0.33039 0.00369 1.00000
U4 U 0.98441 0.98441 0.00404 1.00000
U5 U 0.50385 0.50385 0.48520 1.00000
U6 U 0.33039 0.68273 0.00369 1.00000
O1 O 0.54718 0.20161 0.37526 1.00000
O2 O 0.97896 0.29636 0.11184 1.00000
O3 O 0.29636 0.97896 0.11184 1.00000
O4 O 0.20161 0.54718 0.37526 1.00000
O5 O 0.13785 0.13785 0.63351 1.00000
O6 O 0.70962 0.04102 0.87407 1.00000
O7 O 0.77056 0.45331 0.63774 1.00000
O8 O 0.61268 0.61268 0.11718 1.00000
O9 O 0.45331 0.77056 0.63774 1.00000
O10 O 0.04102 0.70962 0.87407 1.00000
O11 O 0.87518 0.87518 0.37527 1.00000
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