LiV2O5
Alexandria ALEXAlex-ID: agm005267771 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C5_182_spg62
LiV2O5
2024-10-15 19:05:40
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005267771).
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 agm005267771
data_agm005267771
_cell_length_a 3.63183
_cell_length_b 9.82850
_cell_length_c 11.04427
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 394.23008
_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 0.25000 0.16197 0.77369 1.00000
Li2 Li 0.75000 0.83803 0.22631 1.00000
Li3 Li 0.75000 0.33803 0.27369 1.00000
Li4 Li 0.25000 0.66197 0.72631 1.00000
V1 V 0.25000 0.37491 0.50276 1.00000
V2 V 0.75000 0.62509 0.49724 1.00000
V3 V 0.75000 0.12509 0.00276 1.00000
V4 V 0.25000 0.87491 0.99724 1.00000
V5 V 0.25000 0.06661 0.40127 1.00000
V6 V 0.75000 0.93339 0.59873 1.00000
V7 V 0.75000 0.43339 0.90127 1.00000
V8 V 0.25000 0.56661 0.09873 1.00000
O1 O 0.25000 0.24024 0.36580 1.00000
O2 O 0.75000 0.75976 0.63420 1.00000
O3 O 0.75000 0.25976 0.86580 1.00000
O4 O 0.25000 0.74024 0.13420 1.00000
O5 O 0.25000 0.47886 0.22550 1.00000
O6 O 0.75000 0.52114 0.77450 1.00000
O7 O 0.75000 0.02114 0.72550 1.00000
O8 O 0.25000 0.97886 0.27450 1.00000
O9 O 0.25000 0.27406 0.62302 1.00000
O10 O 0.75000 0.72594 0.37698 1.00000
O11 O 0.75000 0.22594 0.12302 1.00000
O12 O 0.25000 0.77406 0.87698 1.00000
O13 O 0.25000 0.57118 0.55070 1.00000
O14 O 0.75000 0.42882 0.44930 1.00000
O15 O 0.75000 0.92882 0.05070 1.00000
O16 O 0.25000 0.07118 0.94930 1.00000
O17 O 0.25000 0.44221 0.95424 1.00000
O18 O 0.75000 0.55779 0.04576 1.00000
O19 O 0.75000 0.05779 0.45424 1.00000
O20 O 0.25000 0.94221 0.54576 1.00000
