Er2U3O11
Alexandria ALEXAlex-ID: agm005237174 · Space group: Immm (#71)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C11_30_spg71
ErUO4 UO3
2023-05-07 08:28:38.242660
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005237174).
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 agm005237174
data_agm005237174
_cell_length_a 9.90616
_cell_length_b 9.90616
_cell_length_c 9.90616
_cell_angle_alpha 158.02773
_cell_angle_beta 148.30314
_cell_angle_gamma 38.90348
_cell_volume 190.81882
_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
Er1 Er 0.29695 0.29695 0.00000 1.00000
Er2 Er 0.70305 0.70305 0.00000 1.00000
U1 U 0.09912 0.09912 0.00000 1.00000
U2 U 0.50000 0.50000 0.00000 1.00000
U3 U 0.90088 0.90088 0.00000 1.00000
O1 O 0.28010 0.00000 0.28010 1.00000
O2 O 0.63558 0.39832 0.23726 1.00000
O3 O 0.04497 0.80627 0.23870 1.00000
O4 O 0.43244 0.19373 0.23870 1.00000
O5 O 0.83894 0.60168 0.23726 1.00000
O6 O 0.71990 0.00000 0.71990 1.00000
O7 O 0.16106 0.39832 0.76274 1.00000
O8 O 0.56756 0.80627 0.76130 1.00000
O9 O 0.95503 0.19373 0.76130 1.00000
O10 O 0.36442 0.60168 0.76274 1.00000
O11 O 0.00000 0.50000 0.50000 1.00000
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