LiV4O5F7
Alexandria ALEXAlex-ID: agm005246729 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5D7_2_spg1
Li2VF6 VOF2 V4O9 LiVF4
2023-05-07 20:13:19.356062
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005246729).
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 agm005246729
data_agm005246729
_cell_length_a 5.29268
_cell_length_b 6.11370
_cell_length_c 9.37980
_cell_angle_alpha 107.33967
_cell_angle_beta 83.83960
_cell_angle_gamma 123.13341
_cell_volume 242.02150
_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 0.16472 0.85033 0.80585 1.00000
V1 V 0.72770 0.10163 0.58242 1.00000
V2 V 0.73592 0.39824 0.24810 1.00000
V3 V 0.14756 0.97029 0.42070 1.00000
V4 V 0.33395 0.35950 0.74402 1.00000
O1 O 0.17199 0.31588 0.56445 1.00000
O2 O 0.72086 0.81255 0.50204 1.00000
O3 O 0.77100 0.21447 0.09514 1.00000
O4 O 0.86785 0.70926 0.22464 1.00000
O5 O 0.32263 0.02147 0.62353 1.00000
F1 F 0.61668 0.13558 0.39308 1.00000
F2 F 0.76135 0.52205 0.71168 1.00000
F3 F 0.87944 0.17391 0.78089 1.00000
F4 F 0.31686 0.23037 0.27569 1.00000
F5 F 0.36814 0.69241 0.83818 1.00000
F6 F 0.08973 0.59007 0.38072 1.00000
F7 F 0.33657 0.25019 0.90583 1.00000
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