LiCo(PO3)4
Alexandria ALEXAlex-ID: agm005275618 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D12_11_spg15
LiCo(PO3)4
2024-10-15 23:54:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005275618).
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 agm005275618
data_agm005275618
_cell_length_a 6.99128
_cell_length_b 6.99128
_cell_length_c 9.55061
_cell_angle_alpha 88.11222
_cell_angle_beta 88.11222
_cell_angle_gamma 110.05637
_cell_volume 437.78062
_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 0.33501 0.66499 0.75000 1.00000
Li2 Li 0.66499 0.33501 0.25000 1.00000
Co1 Co 0.38178 0.61822 0.25000 1.00000
Co2 Co 0.61822 0.38178 0.75000 1.00000
P1 P 0.77566 0.69884 0.47222 1.00000
P2 P 0.77009 0.12064 0.53488 1.00000
P3 P 0.69884 0.77566 0.97222 1.00000
P4 P 0.22434 0.30116 0.52778 1.00000
P5 P 0.30116 0.22434 0.02778 1.00000
P6 P 0.87936 0.22991 0.96512 1.00000
P7 P 0.22991 0.87936 0.46512 1.00000
P8 P 0.12064 0.77009 0.03488 1.00000
O1 O 0.64462 0.60225 0.35300 1.00000
O2 O 0.56000 0.78042 0.09596 1.00000
O3 O 0.21541 0.77389 0.89441 1.00000
O4 O 0.21958 0.44000 0.40404 1.00000
O5 O 0.99905 0.18768 0.59431 1.00000
O6 O 0.22611 0.78459 0.60559 1.00000
O7 O 0.81232 0.00095 0.90569 1.00000
O8 O 0.85598 0.37267 0.84951 1.00000
O9 O 0.77389 0.21541 0.39441 1.00000
O10 O 0.62733 0.14402 0.65049 1.00000
O11 O 0.70889 0.87566 0.53553 1.00000
O12 O 0.87566 0.70889 0.03553 1.00000
O13 O 0.60225 0.64462 0.85300 1.00000
O14 O 0.78459 0.22611 0.10559 1.00000
O15 O 0.44000 0.21958 0.90404 1.00000
O16 O 0.12434 0.29111 0.96447 1.00000
O17 O 0.14402 0.62733 0.15049 1.00000
O18 O 0.00095 0.81232 0.40569 1.00000
O19 O 0.78042 0.56000 0.59596 1.00000
O20 O 0.37267 0.85598 0.34951 1.00000
O21 O 0.39775 0.35538 0.14700 1.00000
O22 O 0.18768 0.99905 0.09431 1.00000
O23 O 0.29111 0.12434 0.46447 1.00000
O24 O 0.35538 0.39775 0.64700 1.00000
