KCoPO4
Alexandria ALEXAlex-ID: agm019322101 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD4_473_spg33
KCoPO4
2025-04-01 10:01:02
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019322101).
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 agm019322101
data_agm019322101
_cell_length_a 5.66212
_cell_length_b 10.30531
_cell_length_c 9.58499
_cell_angle_alpha 90.00000
_cell_angle_beta 124.60978
_cell_angle_gamma 90.00000
_cell_volume 460.31205
_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 0.29768 0.88270 0.03718 1.00000
K2 K 0.29768 0.61730 0.53718 1.00000
K3 K 0.70232 0.11730 0.96282 1.00000
K4 K 0.70232 0.38270 0.46282 1.00000
Co1 Co 0.78007 0.83208 0.51917 1.00000
Co2 Co 0.78007 0.66792 0.01917 1.00000
Co3 Co 0.21993 0.33208 0.98083 1.00000
Co4 Co 0.21993 0.16792 0.48083 1.00000
P1 P 0.92718 0.39189 0.20335 1.00000
P2 P 0.07282 0.89189 0.29665 1.00000
P3 P 0.07282 0.60811 0.79665 1.00000
P4 P 0.92718 0.10811 0.70335 1.00000
O1 O 0.92002 0.95749 0.70326 1.00000
O2 O 0.92002 0.54251 0.20326 1.00000
O3 O 0.07998 0.04251 0.29674 1.00000
O4 O 0.07998 0.45749 0.79674 1.00000
O5 O 0.36316 0.83303 0.34578 1.00000
O6 O 0.36316 0.66697 0.84578 1.00000
O7 O 0.63684 0.33303 0.15422 1.00000
O8 O 0.63684 0.16697 0.65422 1.00000
O9 O 0.84056 0.64843 0.60853 1.00000
O10 O 0.84056 0.85157 0.10853 1.00000
O11 O 0.15944 0.35157 0.39147 1.00000
O12 O 0.15944 0.14843 0.89147 1.00000
O13 O 0.99636 0.83782 0.41649 1.00000
O14 O 0.00364 0.16218 0.58351 1.00000
O15 O 0.00364 0.33782 0.08351 1.00000
O16 O 0.99636 0.66218 0.91649 1.00000
