Li4V5O9F
Alexandria ALEXAlex-ID: agm005279905 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5D9_7_spg1
LiVO2 V2O3 LiF
2023-05-08 03:29:35.142155
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005279905).
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 agm005279905
data_agm005279905
_cell_length_a 3.01167
_cell_length_b 5.32141
_cell_length_c 14.30950
_cell_angle_alpha 61.18019
_cell_angle_beta 96.52069
_cell_angle_gamma 90.46533
_cell_volume 199.33816
_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 0.39084 0.36673 0.32585 1.00000
Li2 Li 0.10453 0.35608 0.78163 1.00000
Li3 Li 0.99232 0.92097 0.52655 1.00000
Li4 Li 0.78778 0.81306 0.12937 1.00000
V1 V 0.06359 0.02975 0.70339 1.00000
V2 V 0.29575 0.29073 0.12758 1.00000
V3 V 0.69272 0.67524 0.90835 1.00000
V4 V 0.48928 0.45256 0.51425 1.00000
V5 V 0.89189 0.87671 0.32104 1.00000
O1 O 0.03935 0.46107 0.60845 1.00000
O2 O 0.13471 0.62409 0.82957 1.00000
O3 O 0.53052 0.01069 0.61107 1.00000
O4 O 0.33985 0.85405 0.22350 1.00000
O5 O 0.44090 0.90124 0.41365 1.00000
O6 O 0.60833 0.08454 0.79771 1.00000
O7 O 0.74667 0.28126 0.03757 1.00000
O8 O 0.84474 0.32979 0.21823 1.00000
O9 O 0.93633 0.44036 0.41702 1.00000
F1 F 0.24980 0.74142 0.01071 1.00000
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