K2UO4
Alexandria ALEXAlex-ID: agm078734069 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_732_spg57
K2UO4
2025-01-09 21:54:45
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm078734069).
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 agm078734069
data_agm078734069
_cell_length_a 3.55016
_cell_length_b 11.16215
_cell_length_c 13.13865
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 520.65117
_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
K1 K 0.75000 0.46150 0.86758 1.00000
K2 K 0.75000 0.58158 0.61630 1.00000
K3 K 0.75000 0.96150 0.63242 1.00000
K4 K 0.75000 0.08158 0.88370 1.00000
K5 K 0.25000 0.41842 0.38370 1.00000
K6 K 0.25000 0.53850 0.13242 1.00000
K7 K 0.25000 0.91842 0.11630 1.00000
K8 K 0.25000 0.03850 0.36758 1.00000
U1 U 0.75000 0.22181 0.13423 1.00000
U2 U 0.75000 0.72181 0.36577 1.00000
U3 U 0.25000 0.27819 0.63423 1.00000
U4 U 0.25000 0.77819 0.86577 1.00000
O1 O 0.75000 0.84339 0.95323 1.00000
O2 O 0.25000 0.12922 0.56100 1.00000
O3 O 0.75000 0.34339 0.54677 1.00000
O4 O 0.25000 0.62922 0.93900 1.00000
O5 O 0.75000 0.87078 0.43900 1.00000
O6 O 0.25000 0.15661 0.04677 1.00000
O7 O 0.75000 0.37078 0.06100 1.00000
O8 O 0.25000 0.65661 0.45323 1.00000
O9 O 0.75000 0.22086 0.72077 1.00000
O10 O 0.75000 0.72086 0.77923 1.00000
O11 O 0.25000 0.27914 0.22077 1.00000
O12 O 0.25000 0.77914 0.27923 1.00000
O13 O 0.75000 0.57063 0.29263 1.00000
O14 O 0.75000 0.07063 0.20737 1.00000
O15 O 0.25000 0.42937 0.70737 1.00000
O16 O 0.25000 0.92937 0.79263 1.00000
