Li3V4(OF3)3
Alexandria ALEXAlex-ID: agm005254037 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C4D9_7_spg1
LiV3(OF3)2 V2O3 LiF
2023-05-08 02:13:54.462446
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005254037).
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 agm005254037
data_agm005254037
_cell_length_a 5.49592
_cell_length_b 5.83621
_cell_length_c 9.62913
_cell_angle_alpha 99.23970
_cell_angle_beta 85.23017
_cell_angle_gamma 121.52880
_cell_volume 259.84741
_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 0.80562 0.65379 0.68335 1.00000
Li2 Li 0.21226 0.26312 0.35315 1.00000
Li3 Li 0.72271 0.51010 0.14181 1.00000
V1 V 0.00193 0.09849 0.97984 1.00000
V2 V 0.61387 0.95608 0.23077 1.00000
V3 V 0.46782 0.98956 0.52564 1.00000
V4 V 0.48543 0.07440 0.83178 1.00000
O1 O 0.40341 0.07156 0.34345 1.00000
O2 O 0.53561 0.25729 0.67556 1.00000
O3 O 0.07428 0.88138 0.84434 1.00000
F1 F 0.82732 0.05216 0.42036 1.00000
F2 F 0.94972 0.90108 0.14291 1.00000
F3 F 0.90347 0.31599 0.16518 1.00000
F4 F 0.45704 0.57982 0.26664 1.00000
F5 F 0.44004 0.33106 0.99438 1.00000
F6 F 0.56169 0.82428 0.68191 1.00000
F7 F 0.54589 0.89493 0.00320 1.00000
F8 F 0.08308 0.69405 0.53402 1.00000
F9 F 0.91993 0.30606 0.87573 1.00000
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