LiCo2(PO4)2
Alexandria ALEXAlex-ID: agm003212901 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2D8_25_spg5
CoPO4 LiCoPO4
2021-12-04 20:10:35.470531
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003212901).
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 agm003212901
data_agm003212901
_cell_length_a 5.13688
_cell_length_b 5.13688
_cell_length_c 6.89506
_cell_angle_alpha 89.73115
_cell_angle_beta 89.73115
_cell_angle_gamma 97.44872
_cell_volume 180.40384
_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
Li1 Li 0.49047 0.50953 0.00000 1.00000
Co1 Co 0.00872 0.99128 0.00000 1.00000
Co2 Co 0.49707 0.50293 0.50000 1.00000
P1 P 0.50111 0.00193 0.24959 1.00000
P2 P 0.99807 0.49889 0.75041 1.00000
O1 O 0.69431 0.45525 0.74806 1.00000
O2 O 0.10462 0.79260 0.79526 1.00000
O3 O 0.09633 0.34574 0.93080 1.00000
O4 O 0.58185 0.87896 0.43728 1.00000
O5 O 0.65426 0.90367 0.06920 1.00000
O6 O 0.12104 0.41815 0.56272 1.00000
O7 O 0.20740 0.89538 0.20474 1.00000
O8 O 0.54475 0.30569 0.25194 1.00000
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