LiV4O5F7
Alexandria ALEXAlex-ID: agm005251364 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5D7_7_spg1
Li2VF6 VOF2 V4O9 LiVF4
2024-10-15 19:33:43
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005251364).
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 agm005251364
data_agm005251364
_cell_length_a 5.37974
_cell_length_b 9.04079
_cell_length_c 9.14969
_cell_angle_alpha 69.05534
_cell_angle_beta 88.16322
_cell_angle_gamma 87.45328
_cell_volume 415.13770
_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 0.06280 0.13453 0.62490 1.00000
Li2 Li 0.44984 0.11303 0.10253 1.00000
V1 V 0.02265 0.98053 0.99850 1.00000
V2 V 0.00513 0.75542 0.76731 1.00000
V3 V 0.52806 0.98298 0.49657 1.00000
V4 V 0.50475 0.26797 0.72717 1.00000
V5 V 0.96888 0.49587 0.50899 1.00000
V6 V 0.50579 0.75327 0.26816 1.00000
V7 V 0.99476 0.26872 0.22727 1.00000
V8 V 0.46893 0.49503 0.00806 1.00000
O1 O 0.20826 0.62616 0.91498 1.00000
O2 O 0.99438 0.93373 0.81157 1.00000
O3 O 0.77739 0.87367 0.58244 1.00000
O4 O 0.30086 0.37225 0.59043 1.00000
O5 O 0.49664 0.93042 0.31126 1.00000
O6 O 0.82291 0.31615 0.62612 1.00000
O7 O 0.70750 0.62371 0.41863 1.00000
O8 O 0.28065 0.87722 0.08117 1.00000
O9 O 0.31598 0.32024 0.12223 1.00000
O10 O 0.80016 0.37773 0.08787 1.00000
F1 F 0.21402 0.17371 0.88209 1.00000
F2 F 0.70648 0.66740 0.88835 1.00000
F3 F 0.28367 0.82614 0.61381 1.00000
F4 F 0.52557 0.42724 0.82531 1.00000
F5 F 0.69365 0.12338 0.93166 1.00000
F6 F 0.47737 0.07589 0.67094 1.00000
F7 F 0.98230 0.58355 0.67440 1.00000
F8 F 0.20665 0.66511 0.38849 1.00000
F9 F 0.19850 0.12659 0.42724 1.00000
F10 F 0.71055 0.17495 0.37849 1.00000
F11 F 0.47937 0.58427 0.17330 1.00000
F12 F 0.78841 0.82028 0.11639 1.00000
F13 F 0.02072 0.42650 0.32736 1.00000
F14 F 0.00104 0.07633 0.17142 1.00000
