LiV4(NiO6)2
Alexandria ALEXAlex-ID: agm005245590 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D12_16_spg5
LiV2O5 V2Ni2O7
2023-05-07 21:29:17.697627
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005245590).
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 agm005245590
data_agm005245590
_cell_length_a 5.74192
_cell_length_b 6.73792
_cell_length_c 6.93526
_cell_angle_alpha 81.72739
_cell_angle_beta 76.10677
_cell_angle_gamma 72.57462
_cell_volume 247.76057
_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 0.17216 0.29304 0.77745 1.00000
V1 V 0.74307 0.62226 0.78819 1.00000
V2 V 0.20461 0.83841 0.59930 1.00000
V3 V 0.76510 0.18223 0.38099 1.00000
V4 V 0.24558 0.37859 0.20890 1.00000
Ni1 Ni 0.76176 0.08099 0.91290 1.00000
Ni2 Ni 0.26812 0.91753 0.07474 1.00000
O1 O 0.64436 0.81401 0.95806 1.00000
O2 O 0.79001 0.37327 0.90297 1.00000
O3 O 0.14794 0.99161 0.81390 1.00000
O4 O 0.52856 0.66166 0.63935 1.00000
O5 O 0.80714 0.04376 0.60389 1.00000
O6 O 0.05587 0.60955 0.65873 1.00000
O7 O 0.93321 0.37677 0.33065 1.00000
O8 O 0.28516 0.93412 0.35805 1.00000
O9 O 0.44142 0.30844 0.39432 1.00000
O10 O 0.86508 0.02705 0.18923 1.00000
O11 O 0.23634 0.62003 0.11498 1.00000
O12 O 0.35453 0.21668 0.01338 1.00000
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