KU2(PO4)3
Alexandria ALEXAlex-ID: agm005280019 · Space group: R-3c (#167)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D12_41_spg148
KU2(PO4)3
2022-12-13 06:07:18.044105
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005280019).
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 agm005280019
data_agm005280019
_cell_length_a 9.92653
_cell_length_b 9.92653
_cell_length_c 9.92653
_cell_angle_alpha 55.47327
_cell_angle_beta 55.47327
_cell_angle_gamma 55.47327
_cell_volume 618.93377
_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 0.50000 0.50000 0.50000 1.00000
K2 K 0.00000 0.00000 0.00000 1.00000
U1 U 0.85028 0.85028 0.85028 1.00000
U2 U 0.14972 0.14972 0.14972 1.00000
U3 U 0.64972 0.64972 0.64972 1.00000
U4 U 0.35028 0.35028 0.35028 1.00000
P1 P 0.54264 0.95736 0.25000 1.00000
P2 P 0.25000 0.54264 0.95736 1.00000
P3 P 0.75000 0.45736 0.04264 1.00000
P4 P 0.95736 0.25000 0.54264 1.00000
P5 P 0.04264 0.75000 0.45736 1.00000
P6 P 0.45736 0.04264 0.75000 1.00000
O1 O 0.73054 0.48735 0.88236 1.00000
O2 O 0.91472 0.29171 0.07025 1.00000
O3 O 0.70829 0.92975 0.08528 1.00000
O4 O 0.20829 0.58528 0.42975 1.00000
O5 O 0.01265 0.76946 0.61764 1.00000
O6 O 0.38236 0.98735 0.23054 1.00000
O7 O 0.79171 0.41472 0.57025 1.00000
O8 O 0.29171 0.07025 0.91472 1.00000
O9 O 0.42975 0.20829 0.58528 1.00000
O10 O 0.76946 0.61764 0.01265 1.00000
O11 O 0.61764 0.01265 0.76946 1.00000
O12 O 0.11764 0.26946 0.51265 1.00000
O13 O 0.48735 0.88236 0.73054 1.00000
O14 O 0.41472 0.57025 0.79171 1.00000
O15 O 0.08528 0.70829 0.92975 1.00000
O16 O 0.57025 0.79171 0.41472 1.00000
O17 O 0.26946 0.51265 0.11764 1.00000
O18 O 0.51265 0.11764 0.26946 1.00000
O19 O 0.98735 0.23054 0.38236 1.00000
O20 O 0.58528 0.42975 0.20829 1.00000
O21 O 0.23054 0.38236 0.98735 1.00000
O22 O 0.92975 0.08528 0.70829 1.00000
O23 O 0.88236 0.73054 0.48735 1.00000
O24 O 0.07025 0.91472 0.29171 1.00000
