LiU4O12
Alexandria ALEXAlex-ID: agm099515420 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C12_549_spg1
U3O8 UO3 Li2UO4
2025-04-22 09:03:00
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm099515420).
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 agm099515420
data_agm099515420
_cell_length_a 3.42840
_cell_length_b 8.36418
_cell_length_c 9.69637
_cell_angle_alpha 88.61535
_cell_angle_beta 81.84142
_cell_angle_gamma 89.61856
_cell_volume 275.15510
_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
Li1 Li 0.56869 0.86853 0.73223 1.00000
U1 U 0.84316 0.86255 0.07574 1.00000
U2 U 0.83548 0.36250 0.07455 1.00000
U3 U 0.16248 0.12423 0.54608 1.00000
U4 U 0.14574 0.62127 0.54815 1.00000
O1 O 0.43373 0.86456 0.93883 1.00000
O2 O 0.84052 0.10977 0.06938 1.00000
O3 O 0.66275 0.64016 0.42079 1.00000
O4 O 0.15464 0.37304 0.54045 1.00000
O5 O 0.57611 0.12048 0.67889 1.00000
O6 O 0.62794 0.61876 0.68117 1.00000
O7 O 0.26043 0.86152 0.20245 1.00000
O8 O 0.33755 0.35893 0.20401 1.00000
O9 O 0.13180 0.87155 0.60002 1.00000
O10 O 0.33102 0.36658 0.94540 1.00000
O11 O 0.84166 0.61547 0.07309 1.00000
O12 O 0.74632 0.11012 0.41877 1.00000
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