LiV2O4
Alexandria ALEXAlex-ID: agm018592002 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_5858_spg12
Li3VO4 V2O3 V3O5
2025-01-18 13:52:59
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm018592002).
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 agm018592002
data_agm018592002
_cell_length_a 5.98852
_cell_length_b 6.00888
_cell_length_c 13.28969
_cell_angle_alpha 103.21802
_cell_angle_beta 103.41936
_cell_angle_gamma 88.50493
_cell_volume 452.65660
_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 0.03541 0.28978 0.58373 1.00000
Li2 Li 0.96459 0.71022 0.41627 1.00000
Li3 Li 0.37516 0.62581 0.25088 1.00000
Li4 Li 0.29063 0.04679 0.08463 1.00000
Li5 Li 0.70937 0.95321 0.91537 1.00000
Li6 Li 0.62484 0.37419 0.74912 1.00000
V1 V 0.66686 0.16922 0.33450 1.00000
V2 V 0.17061 0.17431 0.33908 1.00000
V3 V 0.83070 0.33688 0.16799 1.00000
V4 V 0.00000 0.50000 0.00000 1.00000
V5 V 0.16930 0.66312 0.83201 1.00000
V6 V 0.33314 0.83078 0.66550 1.00000
V7 V 0.82939 0.82569 0.66092 1.00000
V8 V 0.50000 0.50000 0.50000 1.00000
V9 V 0.50000 0.00000 0.50000 1.00000
V10 V 0.84147 0.83756 0.17067 1.00000
V11 V 0.50000 0.50000 0.00000 1.00000
V12 V 0.15853 0.16244 0.82933 1.00000
O1 O 0.28064 0.76139 0.50872 1.00000
O2 O 0.74648 0.75163 0.51247 1.00000
O3 O 0.25352 0.24837 0.48753 1.00000
O4 O 0.71936 0.23861 0.49128 1.00000
O5 O 0.42069 0.94919 0.33824 1.00000
O6 O 0.41453 0.39572 0.33928 1.00000
O7 O 0.90716 0.39046 0.32733 1.00000
O8 O 0.92456 0.94427 0.32851 1.00000
O9 O 0.61485 0.09347 0.17496 1.00000
O10 O 0.06704 0.10764 0.18053 1.00000
O11 O 0.05591 0.57097 0.15841 1.00000
O12 O 0.61242 0.56820 0.16274 1.00000
O13 O 0.76419 0.27653 0.00904 1.00000
O14 O 0.76307 0.72189 0.00801 1.00000
O15 O 0.23581 0.72347 0.99096 1.00000
O16 O 0.23693 0.27811 0.99199 1.00000
O17 O 0.94409 0.42903 0.84159 1.00000
O18 O 0.38758 0.43180 0.83726 1.00000
O19 O 0.93296 0.89236 0.81947 1.00000
O20 O 0.38515 0.90653 0.82504 1.00000
O21 O 0.07544 0.05573 0.67149 1.00000
O22 O 0.09284 0.60954 0.67267 1.00000
O23 O 0.57931 0.05081 0.66176 1.00000
O24 O 0.58547 0.60428 0.66072 1.00000
