Li3V2F9
Alexandria ALEXAlex-ID: agm005261092 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B3C9_88_spg5
LiVF4 Li3VF6
2023-05-06 16:11:51.155844
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005261092).
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 agm005261092
data_agm005261092
_cell_length_a 5.66652
_cell_length_b 5.66652
_cell_length_c 7.44962
_cell_angle_alpha 83.79062
_cell_angle_beta 83.79062
_cell_angle_gamma 55.57501
_cell_volume 195.83098
_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 0.45249 0.82684 0.53555 1.00000
Li2 Li 0.03194 0.96806 0.00000 1.00000
Li3 Li 0.17316 0.54751 0.46445 1.00000
V1 V 0.66516 0.61476 0.15464 1.00000
V2 V 0.38524 0.33484 0.84536 1.00000
F1 F 0.47435 0.01266 0.03944 1.00000
F2 F 0.35049 0.72269 0.33275 1.00000
F3 F 0.83317 0.66153 0.35882 1.00000
F4 F 0.84881 0.21334 0.19002 1.00000
F5 F 0.98734 0.52565 0.96056 1.00000
F6 F 0.27731 0.64951 0.66725 1.00000
F7 F 0.39521 0.60479 0.00000 1.00000
F8 F 0.33847 0.16683 0.64118 1.00000
F9 F 0.78666 0.15119 0.80998 1.00000
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