LiV2F7
Alexandria ALEXAlex-ID: agm005229498 · Space group: C2/c (#15)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_212_spg15
LiVF4 VF3
2023-05-08 05:11:24.063123
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005229498).
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 agm005229498
data_agm005229498
_cell_length_a 9.10661
_cell_length_b 9.10661
_cell_length_c 5.61297
_cell_angle_alpha 88.00731
_cell_angle_beta 88.00731
_cell_angle_gamma 31.24626
_cell_volume 241.29793
_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 0.50000 0.00000 0.00000 1.00000
Li2 Li 0.00000 0.50000 0.50000 1.00000
V1 V 0.85023 0.36098 0.20735 1.00000
V2 V 0.36098 0.85023 0.70735 1.00000
V3 V 0.63902 0.14977 0.29265 1.00000
V4 V 0.14977 0.63902 0.79265 1.00000
F1 F 0.63762 0.51029 0.90643 1.00000
F2 F 0.51029 0.63762 0.40643 1.00000
F3 F 0.20075 0.07810 0.01034 1.00000
F4 F 0.07810 0.20075 0.51034 1.00000
F5 F 0.61274 0.79975 0.69771 1.00000
F6 F 0.79975 0.61274 0.19771 1.00000
F7 F 0.20025 0.38726 0.80229 1.00000
F8 F 0.38726 0.20025 0.30229 1.00000
F9 F 0.92190 0.79925 0.48966 1.00000
F10 F 0.79925 0.92190 0.98966 1.00000
F11 F 0.48971 0.36238 0.59357 1.00000
F12 F 0.36238 0.48971 0.09357 1.00000
F13 F 0.88763 0.11237 0.25000 1.00000
F14 F 0.11237 0.88763 0.75000 1.00000
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