Li4V2Co3Ni3O16
Alexandria ALEXAlex-ID: agm005245684 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C3D4E16_0_spg8
V2Ni3O8 LiO8 Co3O4 Li3VO4 NiO
2023-05-11 11:51:50.409305
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005245684).
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 agm005245684
data_agm005245684
_cell_length_a 5.83647
_cell_length_b 5.83647
_cell_length_c 9.35098
_cell_angle_alpha 88.86628
_cell_angle_beta 88.86628
_cell_angle_gamma 59.37326
_cell_volume 274.02968
_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 0.33519 0.33519 0.89910 1.00000
Li2 Li 0.99016 0.99016 0.99089 1.00000
Li3 Li 0.99034 0.99034 0.49566 1.00000
Li4 Li 0.67010 0.67010 0.39781 1.00000
V1 V 0.33314 0.33314 0.50022 1.00000
V2 V 0.64724 0.64724 0.98808 1.00000
Co1 Co 0.65499 0.16338 0.21779 1.00000
Co2 Co 0.16338 0.65499 0.21779 1.00000
Co3 Co 0.82392 0.82392 0.72363 1.00000
Ni1 Ni 0.17017 0.17017 0.21013 1.00000
Ni2 Ni 0.83193 0.34018 0.71077 1.00000
Ni3 Ni 0.34018 0.83193 0.71077 1.00000
O1 O 0.64736 0.16645 0.59310 1.00000
O2 O 0.47839 0.47839 0.33690 1.00000
O3 O 0.34826 0.34826 0.11071 1.00000
O4 O 0.98952 0.98952 0.30131 1.00000
O5 O 0.98898 0.98898 0.79811 1.00000
O6 O 0.16645 0.64736 0.59310 1.00000
O7 O 0.49730 0.04400 0.34231 1.00000
O8 O 0.04400 0.49730 0.34231 1.00000
O9 O 0.83166 0.83166 0.10584 1.00000
O10 O 0.17104 0.17104 0.57283 1.00000
O11 O 0.95934 0.53706 0.84924 1.00000
O12 O 0.53706 0.95934 0.84924 1.00000
O13 O 0.67973 0.67973 0.60830 1.00000
O14 O 0.82500 0.33883 0.09163 1.00000
O15 O 0.52097 0.52097 0.85845 1.00000
O16 O 0.33883 0.82500 0.09163 1.00000
