LiV6O11F
Alexandria ALEXAlex-ID: agm005222335 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC6D11_4_spg8
V3O5 LiF VO2
2023-05-07 20:59:44.817473
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005222335).
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 agm005222335
data_agm005222335
_cell_length_a 5.07382
_cell_length_b 5.07382
_cell_length_c 8.65117
_cell_angle_alpha 89.78665
_cell_angle_beta 89.78665
_cell_angle_gamma 78.33651
_cell_volume 218.11187
_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 0.69870 0.69870 0.33363 1.00000
V1 V 0.99340 0.99340 0.00394 1.00000
V2 V 0.02521 0.02521 0.33368 1.00000
V3 V 0.98445 0.98445 0.65737 1.00000
V4 V 0.42642 0.42642 0.15668 1.00000
V5 V 0.58161 0.58161 0.83315 1.00000
V6 V 0.42165 0.42165 0.51038 1.00000
O1 O 0.85298 0.85298 0.17658 1.00000
O2 O 0.84155 0.84155 0.50625 1.00000
O3 O 0.80954 0.80954 0.82899 1.00000
O4 O 0.69372 0.32009 0.99614 1.00000
O5 O 0.68271 0.31580 0.33616 1.00000
O6 O 0.69053 0.31448 0.66829 1.00000
O7 O 0.32009 0.69372 0.99614 1.00000
O8 O 0.31580 0.68271 0.33616 1.00000
O9 O 0.31448 0.69053 0.66829 1.00000
O10 O 0.20286 0.20286 0.15905 1.00000
O11 O 0.19430 0.19430 0.51079 1.00000
F1 F 0.15890 0.15890 0.82405 1.00000
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