Li3V4O7F5
Alexandria ALEXAlex-ID: agm005274688 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5D7_4_spg1
Li3VF6 V4O9 LiF VO2
2023-05-07 22:54:46.762149
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005274688).
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 agm005274688
data_agm005274688
_cell_length_a 5.07424
_cell_length_b 5.37107
_cell_length_c 8.98109
_cell_angle_alpha 71.74213
_cell_angle_beta 105.49221
_cell_angle_gamma 117.45519
_cell_volume 204.07132
_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 0.79795 0.00144 0.60009 1.00000
Li2 Li 0.56357 0.28280 0.85277 1.00000
Li3 Li 0.44251 0.73914 0.14344 1.00000
V1 V 0.80531 0.24990 0.26179 1.00000
V2 V 0.53687 0.50096 0.48583 1.00000
V3 V 0.20559 0.70461 0.76086 1.00000
V4 V 0.01061 0.01577 0.99952 1.00000
O1 O 0.80601 0.58614 0.68413 1.00000
O2 O 0.80169 0.14666 0.06809 1.00000
O3 O 0.72776 0.87416 0.37631 1.00000
O4 O 0.68229 0.30470 0.43774 1.00000
O5 O 0.25139 0.39331 0.87744 1.00000
O6 O 0.16991 0.83488 0.93106 1.00000
O7 O 0.18849 0.44173 0.30990 1.00000
F1 F 0.74233 0.61237 0.12230 1.00000
F2 F 0.67718 0.96457 0.80542 1.00000
F3 F 0.32577 0.06542 0.18071 1.00000
F4 F 0.31835 0.68088 0.57229 1.00000
F5 F 0.25579 0.13045 0.63305 1.00000
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