KPO4
Alexandria ALEXAlex-ID: agm005234933 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_2307_spg14
K3P5O14 KO12 KPO3
2023-05-10 03:56:08.040714
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005234933).
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 agm005234933
data_agm005234933
_cell_length_a 7.69909
_cell_length_b 7.44091
_cell_length_c 9.22204
_cell_angle_alpha 52.89139
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 421.32738
_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 0.15284 0.30729 0.27629 1.00000
K2 K 0.84716 0.69271 0.72371 1.00000
K3 K 0.65284 0.69271 0.22371 1.00000
K4 K 0.34716 0.30729 0.77629 1.00000
P1 P 0.16034 0.79255 0.30454 1.00000
P2 P 0.83966 0.20745 0.69546 1.00000
P3 P 0.66034 0.20745 0.19546 1.00000
P4 P 0.33966 0.79255 0.80454 1.00000
O1 O 0.71066 0.96890 0.36325 1.00000
O2 O 0.28934 0.03110 0.63675 1.00000
O3 O 0.21066 0.03110 0.13675 1.00000
O4 O 0.78934 0.96890 0.86325 1.00000
O5 O 0.09247 0.80364 0.45696 1.00000
O6 O 0.90753 0.19636 0.54304 1.00000
O7 O 0.59247 0.19636 0.04304 1.00000
O8 O 0.40753 0.80364 0.95696 1.00000
O9 O 0.01926 0.70469 0.24311 1.00000
O10 O 0.98074 0.29531 0.75689 1.00000
O11 O 0.51926 0.29531 0.25689 1.00000
O12 O 0.48074 0.70469 0.74311 1.00000
O13 O 0.31649 0.63070 0.38452 1.00000
O14 O 0.68351 0.36930 0.61548 1.00000
O15 O 0.81649 0.36930 0.11548 1.00000
O16 O 0.18351 0.63070 0.88452 1.00000
