Li5Nb2Ni5O12
Alexandria ALEXAlex-ID: agm005277745 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C5D12_0_spg5
Nb2Ni4O9 Li3NbO4 Ni NiO
2023-05-09 16:09:27.850515
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005277745).
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 agm005277745
data_agm005277745
_cell_length_a 5.23289
_cell_length_b 5.23289
_cell_length_c 10.03954
_cell_angle_alpha 84.24095
_cell_angle_beta 84.24095
_cell_angle_gamma 121.38787
_cell_volume 229.69862
_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 0.68758 0.82556 0.25522 1.00000
Li2 Li 0.81602 0.67855 0.74307 1.00000
Li3 Li 0.17444 0.31242 0.74478 1.00000
Li4 Li 0.32145 0.18398 0.25693 1.00000
Li5 Li 0.91752 0.08248 0.50000 1.00000
Nb1 Nb 0.25030 0.74970 0.50000 1.00000
Nb2 Nb 0.75036 0.24964 0.00000 1.00000
Ni1 Ni 0.08109 0.91891 0.00000 1.00000
Ni2 Ni 0.50424 0.00191 0.74658 1.00000
Ni3 Ni 0.99809 0.49576 0.25342 1.00000
Ni4 Ni 0.42058 0.57942 0.00000 1.00000
Ni5 Ni 0.58047 0.41953 0.50000 1.00000
O1 O 0.21727 0.02939 0.62157 1.00000
O2 O 0.97061 0.78273 0.37843 1.00000
O3 O 0.37933 0.87687 0.11733 1.00000
O4 O 0.12313 0.62067 0.88267 1.00000
O5 O 0.52295 0.70767 0.61931 1.00000
O6 O 0.29233 0.47705 0.38069 1.00000
O7 O 0.71354 0.53549 0.12299 1.00000
O8 O 0.46451 0.28646 0.87701 1.00000
O9 O 0.87693 0.38747 0.61944 1.00000
O10 O 0.61253 0.12307 0.38056 1.00000
O11 O 0.03654 0.21181 0.12367 1.00000
O12 O 0.78819 0.96346 0.87633 1.00000
