K3U2O6F7
Alexandria ALEXAlex-ID: agm005284886 · Space group: P2_1/m (#11)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C6D7_3_spg11
K5U2O4F9 KO12 KUF6 UO3
2024-10-10 12:46:03
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284886).
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 agm005284886
data_agm005284886
_cell_length_a 6.50021
_cell_length_b 9.26428
_cell_length_c 11.40414
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 94.17850
_cell_volume 684.92819
_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 0.53012 0.57449 0.75000 1.00000
K2 K 0.46988 0.42551 0.25000 1.00000
K3 K 0.89028 0.95069 0.75000 1.00000
K4 K 0.10972 0.04931 0.25000 1.00000
K5 K 0.00000 0.50000 0.00000 1.00000
K6 K 0.00000 0.50000 0.50000 1.00000
U1 U 0.59105 0.80860 0.44581 1.00000
U2 U 0.40895 0.19140 0.55419 1.00000
U3 U 0.40895 0.19140 0.94581 1.00000
U4 U 0.59105 0.80860 0.05419 1.00000
O1 O 0.26278 0.79676 0.75000 1.00000
O2 O 0.73722 0.20324 0.25000 1.00000
O3 O 0.82695 0.90281 0.39150 1.00000
O4 O 0.17305 0.09719 0.60850 1.00000
O5 O 0.17305 0.09719 0.89150 1.00000
O6 O 0.82695 0.90281 0.10850 1.00000
O7 O 0.64776 0.28282 0.00334 1.00000
O8 O 0.35224 0.71718 0.99666 1.00000
O9 O 0.35224 0.71718 0.50334 1.00000
O10 O 0.64776 0.28282 0.49666 1.00000
O11 O 0.94904 0.41456 0.75000 1.00000
O12 O 0.05096 0.58544 0.25000 1.00000
F1 F 0.53651 0.21617 0.75000 1.00000
F2 F 0.46349 0.78383 0.25000 1.00000
F3 F 0.69312 0.59992 0.38216 1.00000
F4 F 0.30688 0.40008 0.61784 1.00000
F5 F 0.30688 0.40008 0.88216 1.00000
F6 F 0.69312 0.59992 0.11784 1.00000
F7 F 0.76731 0.72217 0.90246 1.00000
F8 F 0.23269 0.27783 0.09754 1.00000
F9 F 0.23269 0.27783 0.40246 1.00000
F10 F 0.76731 0.72217 0.59754 1.00000
F11 F 0.58529 0.98233 0.90154 1.00000
F12 F 0.41471 0.01767 0.09846 1.00000
F13 F 0.41471 0.01767 0.40154 1.00000
F14 F 0.58529 0.98233 0.59846 1.00000
