Li3V4O11F
Alexandria ALEXAlex-ID: agm005284794 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C4D11_23_spg1
LiVO3 V2O5 LiF
2023-05-07 21:23:44.920159
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284794).
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 agm005284794
data_agm005284794
_cell_length_a 5.00265
_cell_length_b 5.03351
_cell_length_c 8.94569
_cell_angle_alpha 92.99930
_cell_angle_beta 91.67756
_cell_angle_gamma 109.25981
_cell_volume 212.10312
_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 0.41285 0.82173 0.12240 1.00000
Li2 Li 0.09949 0.65554 0.39527 1.00000
Li3 Li 0.60845 0.16036 0.87028 1.00000
V1 V 0.49484 0.29421 0.37201 1.00000
V2 V 0.95806 0.73899 0.87407 1.00000
V3 V 0.06806 0.17719 0.12463 1.00000
V4 V 0.54647 0.77428 0.62945 1.00000
O1 O 0.46243 0.98535 0.49247 1.00000
O2 O 0.32386 0.48778 0.23980 1.00000
O3 O 0.01469 0.51042 0.99741 1.00000
O4 O 0.76210 0.91809 0.01048 1.00000
O5 O 0.83825 0.01219 0.71954 1.00000
O6 O 0.72620 0.59126 0.47895 1.00000
O7 O 0.27099 0.78144 0.75496 1.00000
O8 O 0.73113 0.23852 0.25138 1.00000
O9 O 0.13860 0.97492 0.26352 1.00000
O10 O 0.28031 0.10600 0.98985 1.00000
O11 O 0.66427 0.51012 0.77114 1.00000
F1 F 0.22688 0.40631 0.52229 1.00000
Get direct link