LiV6O11F
Alexandria ALEXAlex-ID: agm005241124 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6D11_5_spg1
V3O5 LiF VO2
2023-05-07 21:09:09.521080
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005241124).
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 agm005241124
data_agm005241124
_cell_length_a 4.68698
_cell_length_b 4.71895
_cell_length_c 8.99565
_cell_angle_alpha 89.81883
_cell_angle_beta 89.76449
_cell_angle_gamma 88.25244
_cell_volume 198.86725
_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 0.00425 0.49683 0.59462 1.00000
V1 V 0.01870 0.01837 0.98504 1.00000
V2 V 0.99923 0.99790 0.67102 1.00000
V3 V 0.00548 0.00614 0.33810 1.00000
V4 V 0.52522 0.52467 0.83778 1.00000
V5 V 0.46104 0.46109 0.16460 1.00000
V6 V 0.51069 0.51187 0.49253 1.00000
O1 O 0.20242 0.20300 0.84483 1.00000
O2 O 0.19507 0.19989 0.50342 1.00000
O3 O 0.19522 0.19588 0.16006 1.00000
O4 O 0.30325 0.69547 0.00052 1.00000
O5 O 0.30130 0.68727 0.67011 1.00000
O6 O 0.30007 0.68880 0.32928 1.00000
O7 O 0.69468 0.30226 0.00030 1.00000
O8 O 0.69608 0.30636 0.66874 1.00000
O9 O 0.68860 0.30127 0.32928 1.00000
O10 O 0.80148 0.79659 0.83885 1.00000
O11 O 0.79081 0.78492 0.50305 1.00000
F1 F 0.80641 0.80754 0.16073 1.00000
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