KPO3
Alexandria ALEXAlex-ID: agm005223765 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_528_spg14
KPO3
2023-04-16 04:30:38.812656
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005223765).
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 agm005223765
data_agm005223765
_cell_length_a 4.62389
_cell_length_b 10.51287
_cell_length_c 14.28699
_cell_angle_alpha 78.72567
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 681.09314
_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 0.27612 0.93233 0.67104 1.00000
K2 K 0.77612 0.06767 0.82896 1.00000
K3 K 0.72388 0.06767 0.32896 1.00000
K4 K 0.22388 0.93233 0.17104 1.00000
K5 K 0.73546 0.60269 0.63073 1.00000
K6 K 0.23546 0.39731 0.86927 1.00000
K7 K 0.26454 0.39731 0.36927 1.00000
K8 K 0.76454 0.60269 0.13073 1.00000
P1 P 0.79322 0.21573 0.55639 1.00000
P2 P 0.29322 0.78427 0.94361 1.00000
P3 P 0.20678 0.78427 0.44361 1.00000
P4 P 0.70678 0.21573 0.05639 1.00000
P5 P 0.29449 0.31078 0.65368 1.00000
P6 P 0.79449 0.68922 0.84632 1.00000
P7 P 0.70551 0.68922 0.34632 1.00000
P8 P 0.20551 0.31078 0.15368 1.00000
O1 O 0.11534 0.27714 0.56253 1.00000
O2 O 0.61534 0.72286 0.93747 1.00000
O3 O 0.88466 0.72286 0.43747 1.00000
O4 O 0.38466 0.27714 0.06253 1.00000
O5 O 0.61441 0.32160 0.60510 1.00000
O6 O 0.11441 0.67840 0.89490 1.00000
O7 O 0.38559 0.67840 0.39490 1.00000
O8 O 0.88559 0.32160 0.10510 1.00000
O9 O 0.27624 0.20020 0.73768 1.00000
O10 O 0.77624 0.79980 0.76232 1.00000
O11 O 0.72376 0.79980 0.26232 1.00000
O12 O 0.22376 0.20020 0.23768 1.00000
O13 O 0.22391 0.44519 0.66733 1.00000
O14 O 0.72391 0.55481 0.83267 1.00000
O15 O 0.77609 0.55481 0.33267 1.00000
O16 O 0.27609 0.44519 0.16733 1.00000
O17 O 0.72758 0.08370 0.11859 1.00000
O18 O 0.22758 0.91630 0.38141 1.00000
O19 O 0.27242 0.91630 0.88141 1.00000
O20 O 0.77242 0.08370 0.61859 1.00000
O21 O 0.22543 0.76320 0.04806 1.00000
O22 O 0.72543 0.23680 0.45194 1.00000
O23 O 0.77457 0.23680 0.95194 1.00000
O24 O 0.27457 0.76320 0.54806 1.00000
