Li2Co2P2O9
Alexandria ALEXAlex-ID: agm005288923 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C2D9_22_spg2
CoPO4 LiCoPO4 LiO8
2023-05-06 22:45:56.457089
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005288923).
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 agm005288923
data_agm005288923
_cell_length_a 4.96305
_cell_length_b 7.55906
_cell_length_c 8.50663
_cell_angle_alpha 63.39640
_cell_angle_beta 74.49106
_cell_angle_gamma 72.32421
_cell_volume 268.62113
_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 0.32311 0.88314 0.57593 1.00000
Li2 Li 0.67689 0.11686 0.42407 1.00000
Co1 Co 0.82279 0.24398 0.99609 1.00000
Co2 Co 0.17721 0.75602 0.00391 1.00000
P1 P 0.80306 0.70971 0.78723 1.00000
P2 P 0.19694 0.29029 0.21277 1.00000
O1 O 0.08851 0.75376 0.79445 1.00000
O2 O 0.41937 0.26512 0.05305 1.00000
O3 O 0.29185 0.14642 0.39290 1.00000
O4 O 0.00000 0.00000 0.00000 1.00000
O5 O 0.86788 0.48625 0.80553 1.00000
O6 O 0.13212 0.51375 0.19447 1.00000
O7 O 0.70815 0.85358 0.60710 1.00000
O8 O 0.58063 0.73487 0.94695 1.00000
O9 O 0.91149 0.24624 0.20555 1.00000
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