Y4UO10
Alexandria ALEXAlex-ID: agm005994384 · Space group: I4/m (#87)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C10_7_spg87
Y2UO6 YO2
2023-08-08 11:30:58.362026
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005994384).
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 agm005994384
data_agm005994384
_cell_length_a 5.27502
_cell_length_b 6.64476
_cell_length_c 6.64476
_cell_angle_alpha 80.93504
_cell_angle_beta 66.61355
_cell_angle_gamma 66.61354
_cell_volume 196.21140
_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
Y1 Y 0.40103 0.79937 0.39858 1.00000
Y2 Y 0.79960 0.60142 0.79937 1.00000
Y3 Y 0.20040 0.39858 0.20063 1.00000
Y4 Y 0.59897 0.20063 0.60142 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
O1 O 0.25000 0.50000 0.50000 1.00000
O2 O 0.66390 0.28549 0.90800 1.00000
O3 O 0.05060 0.09200 0.28549 1.00000
O4 O 0.42810 0.90800 0.71451 1.00000
O5 O 0.85740 0.71451 0.09200 1.00000
O6 O 0.33610 0.71451 0.09200 1.00000
O7 O 0.75000 0.50000 0.50000 1.00000
O8 O 0.14260 0.28549 0.90800 1.00000
O9 O 0.57190 0.09200 0.28549 1.00000
O10 O 0.94940 0.90800 0.71451 1.00000
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