Li3V3O5F3
Alexandria ALEXAlex-ID: agm005237041 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B3C3D5_0_spg8
V3O5 LiF
2023-05-06 16:55:45.994123
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005237041).
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 agm005237041
data_agm005237041
_cell_length_a 6.21908
_cell_length_b 5.97737
_cell_length_c 5.97331
_cell_angle_alpha 118.12121
_cell_angle_beta 91.29180
_cell_angle_gamma 120.64353
_cell_volume 158.06318
_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 0.96046 0.69674 0.00069 1.00000
Li2 Li 0.79449 0.31681 0.25225 1.00000
Li3 Li 0.37786 0.49824 0.62329 1.00000
V1 V 0.36849 0.00087 0.61432 1.00000
V2 V 0.36986 0.49557 0.12669 1.00000
V3 V 0.89095 0.99842 0.60031 1.00000
O1 O 0.12186 0.00169 0.40573 1.00000
O2 O 0.64047 0.57444 0.41060 1.00000
O3 O 0.57184 0.45196 0.88223 1.00000
O4 O 0.18258 0.54852 0.38635 1.00000
O5 O 0.09592 0.42139 0.85762 1.00000
F1 F 0.63521 0.01031 0.38157 1.00000
F2 F 0.11537 0.98515 0.85752 1.00000
F3 F 0.62464 0.99988 0.85082 1.00000
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