LiV4O5F7
Alexandria ALEXAlex-ID: agm005288490 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5D7_3_spg1
Li2VF6 VOF2 V4O9 LiVF4
2023-05-07 18:59:02.490206
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005288490).
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 agm005288490
data_agm005288490
_cell_length_a 5.85876
_cell_length_b 6.16486
_cell_length_c 7.27590
_cell_angle_alpha 101.95589
_cell_angle_beta 94.93728
_cell_angle_gamma 121.44630
_cell_volume 213.31763
_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 0.66087 0.37961 0.68771 1.00000
V1 V 0.47711 0.80722 0.78086 1.00000
V2 V 0.01414 0.31506 0.29550 1.00000
V3 V 0.96378 0.76360 0.49028 1.00000
V4 V 0.08854 0.12152 0.89307 1.00000
O1 O 0.78768 0.76290 0.70761 1.00000
O2 O 0.26601 0.32841 0.19342 1.00000
O3 O 0.92641 0.48806 0.13709 1.00000
O4 O 0.93993 0.71467 0.22891 1.00000
O5 O 0.21073 0.64652 0.53164 1.00000
F1 F 0.70381 0.36951 0.42419 1.00000
F2 F 0.76930 0.17077 0.77297 1.00000
F3 F 0.27925 0.11810 0.65925 1.00000
F4 F 0.76996 0.98650 0.04668 1.00000
F5 F 0.31435 0.49894 0.88170 1.00000
F6 F 0.88403 0.03731 0.42848 1.00000
F7 F 0.27708 0.93649 0.93759 1.00000
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