KUNbO6
Alexandria ALEXAlex-ID: agm019486356 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_51_spg14
K2U2O7 UO3 KNb3O8
2024-11-13 08:11:06.718492
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019486356).
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 agm019486356
data_agm019486356
_cell_length_a 8.83092
_cell_length_b 7.05305
_cell_length_c 10.77002
_cell_angle_alpha 84.55234
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 667.78008
_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 0.22930 0.49694 0.30098 1.00000
K2 K 0.27070 0.49694 0.80098 1.00000
K3 K 0.72930 0.50306 0.19902 1.00000
K4 K 0.77070 0.50306 0.69902 1.00000
U1 U 0.01336 0.00864 0.18017 1.00000
U2 U 0.51336 0.99136 0.31983 1.00000
U3 U 0.98664 0.99136 0.81983 1.00000
U4 U 0.48664 0.00864 0.68017 1.00000
Nb1 Nb 0.65304 0.11526 0.95688 1.00000
Nb2 Nb 0.15304 0.88474 0.54312 1.00000
Nb3 Nb 0.84696 0.11526 0.45688 1.00000
Nb4 Nb 0.34696 0.88474 0.04312 1.00000
O1 O 0.64553 0.02795 0.50896 1.00000
O2 O 0.95074 0.73418 0.84067 1.00000
O3 O 0.55599 0.96903 0.10908 1.00000
O4 O 0.52179 0.75097 0.70737 1.00000
O5 O 0.14553 0.97205 0.99104 1.00000
O6 O 0.45074 0.26582 0.65933 1.00000
O7 O 0.02179 0.24903 0.79263 1.00000
O8 O 0.04926 0.26582 0.15933 1.00000
O9 O 0.97821 0.75097 0.20737 1.00000
O10 O 0.14951 0.63441 0.53277 1.00000
O11 O 0.85049 0.36559 0.46723 1.00000
O12 O 0.47821 0.24903 0.29263 1.00000
O13 O 0.05599 0.03097 0.39092 1.00000
O14 O 0.21566 0.92628 0.71450 1.00000
O15 O 0.71566 0.07372 0.78550 1.00000
O16 O 0.94401 0.96903 0.60908 1.00000
O17 O 0.54926 0.73418 0.34067 1.00000
O18 O 0.78434 0.07372 0.28550 1.00000
O19 O 0.85447 0.02795 0.00896 1.00000
O20 O 0.35447 0.97205 0.49104 1.00000
O21 O 0.64951 0.36559 0.96723 1.00000
O22 O 0.35049 0.63441 0.03277 1.00000
O23 O 0.28434 0.92628 0.21450 1.00000
O24 O 0.44401 0.03097 0.89092 1.00000
