LiV2OF5
Alexandria ALEXAlex-ID: agm005278723 · Space group: C2 (#5)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_183_spg1
LiV3(OF3)2 LiVF4
2023-05-11 02:59:04.737580
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005278723).
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 agm005278723
data_agm005278723
_cell_length_a 11.57175
_cell_length_b 11.57175
_cell_length_c 5.61049
_cell_angle_alpha 80.59725
_cell_angle_beta 80.59725
_cell_angle_gamma 26.18791
_cell_volume 326.85240
_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 0.77526 0.90432 0.59220 1.00000
Li2 Li 0.89229 0.10771 0.50000 1.00000
Li3 Li 0.09568 0.22474 0.40780 1.00000
V1 V 0.83498 0.99533 0.08012 1.00000
V2 V 0.64993 0.83331 0.25193 1.00000
V3 V 0.50053 0.66246 0.41799 1.00000
V4 V 0.33754 0.49947 0.58201 1.00000
V5 V 0.00467 0.16502 0.91988 1.00000
V6 V 0.16669 0.35007 0.74807 1.00000
O1 O 0.46129 0.86508 0.33916 1.00000
O2 O 0.53030 0.46970 0.50000 1.00000
O3 O 0.13492 0.53871 0.66084 1.00000
F1 F 0.96396 0.49479 0.45012 1.00000
F2 F 0.85650 0.35405 0.22454 1.00000
F3 F 0.84668 0.61117 0.95957 1.00000
F4 F 0.72469 0.48060 0.71117 1.00000
F5 F 0.85664 0.80893 0.19361 1.00000
F6 F 0.80382 0.19618 0.00000 1.00000
F7 F 0.50521 0.03604 0.54988 1.00000
F8 F 0.64595 0.14350 0.77546 1.00000
F9 F 0.38883 0.15332 0.04043 1.00000
F10 F 0.51940 0.27531 0.28883 1.00000
F11 F 0.19107 0.14336 0.80639 1.00000
F12 F 0.27814 0.84713 0.12186 1.00000
F13 F 0.15287 0.72186 0.87814 1.00000
F14 F 0.14681 0.97650 0.61622 1.00000
F15 F 0.02350 0.85319 0.38378 1.00000
