Li5V2Ni5O12
Alexandria ALEXAlex-ID: agm003231237 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5D12_0_spg5
V2Ni3O8 Li3VO4 Ni NiO
2021-12-10 23:59:05.103491
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003231237).
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 agm003231237
data_agm003231237
_cell_length_a 5.14393
_cell_length_b 5.14393
_cell_length_c 9.79561
_cell_angle_alpha 84.60835
_cell_angle_beta 95.39165
_cell_angle_gamma 58.63280
_cell_volume 217.19720
_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 0.16573 0.67378 0.50281 1.00000
Li2 Li 0.32712 0.83299 0.99783 1.00000
Li3 Li 0.67378 0.16573 0.99719 1.00000
Li4 Li 0.83299 0.32712 0.50217 1.00000
Li5 Li 0.91789 0.91789 0.75000 1.00000
V1 V 0.25036 0.25036 0.75000 1.00000
V2 V 0.75060 0.75060 0.25000 1.00000
Ni1 Ni 0.08146 0.08146 0.25000 1.00000
Ni2 Ni 0.99676 0.50643 0.99689 1.00000
Ni3 Ni 0.50643 0.99676 0.50311 1.00000
Ni4 Ni 0.42064 0.42064 0.25000 1.00000
Ni5 Ni 0.58012 0.58012 0.75000 1.00000
O1 O 0.98051 0.21717 0.86699 1.00000
O2 O 0.21717 0.98051 0.63301 1.00000
O3 O 0.10857 0.39380 0.36503 1.00000
O4 O 0.39380 0.10857 0.13497 1.00000
O5 O 0.29064 0.51099 0.86537 1.00000
O6 O 0.51099 0.29064 0.63463 1.00000
O7 O 0.47511 0.71310 0.37115 1.00000
O8 O 0.71310 0.47511 0.12885 1.00000
O9 O 0.59764 0.89265 0.86496 1.00000
O10 O 0.89265 0.59764 0.63504 1.00000
O11 O 0.78887 0.02705 0.37158 1.00000
O12 O 0.02705 0.78887 0.12842 1.00000
