K2Ti3Co(PO4)6
Alexandria ALEXAlex-ID: agm010962845 · Space group: R3 (#146)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C3D6E24_15_spg146
KCo2(PO4)2 KCo(PO3)3 KTi2(PO4)3 CoPO4 KO12
2024-08-24 23:50:18.389232
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010962845).
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 agm010962845
data_agm010962845
_cell_length_a 9.18419
_cell_length_b 9.18419
_cell_length_c 9.18419
_cell_angle_alpha 55.08710
_cell_angle_beta 55.08710
_cell_angle_gamma 55.08710
_cell_volume 485.18889
_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 0.99911 0.99911 0.99911 1.00000
K2 K 0.49970 0.49970 0.49970 1.00000
Ti1 Ti 0.64891 0.64891 0.64891 1.00000
Ti2 Ti 0.35077 0.35077 0.35077 1.00000
Ti3 Ti 0.14964 0.14964 0.14964 1.00000
Co1 Co 0.84947 0.84947 0.84947 1.00000
P1 P 0.53387 0.96715 0.24751 1.00000
P2 P 0.74992 0.46986 0.03141 1.00000
P3 P 0.03141 0.74992 0.46986 1.00000
P4 P 0.96715 0.24751 0.53387 1.00000
P5 P 0.24751 0.53387 0.96715 1.00000
P6 P 0.46986 0.03141 0.74992 1.00000
O1 O 0.35246 0.98885 0.25062 1.00000
O2 O 0.70426 0.93899 0.06477 1.00000
O3 O 0.06160 0.93396 0.30058 1.00000
O4 O 0.25553 0.50895 0.14420 1.00000
O5 O 0.57310 0.79253 0.42583 1.00000
O6 O 0.57316 0.42733 0.20575 1.00000
O7 O 0.85400 0.74604 0.49110 1.00000
O8 O 0.65041 0.01480 0.74349 1.00000
O9 O 0.01480 0.74349 0.65041 1.00000
O10 O 0.93396 0.30058 0.06160 1.00000
O11 O 0.49110 0.85400 0.74604 1.00000
O12 O 0.20575 0.57316 0.42733 1.00000
O13 O 0.79253 0.42583 0.57310 1.00000
O14 O 0.50895 0.14420 0.25553 1.00000
O15 O 0.06477 0.70426 0.93899 1.00000
O16 O 0.98885 0.25062 0.35246 1.00000
O17 O 0.14420 0.25553 0.50895 1.00000
O18 O 0.42583 0.57310 0.79253 1.00000
O19 O 0.42733 0.20575 0.57316 1.00000
O20 O 0.74604 0.49110 0.85400 1.00000
O21 O 0.74349 0.65041 0.01480 1.00000
O22 O 0.25062 0.35246 0.98885 1.00000
O23 O 0.93899 0.06477 0.70426 1.00000
O24 O 0.30058 0.06160 0.93396 1.00000
