LiV2OF5
Alexandria ALEXAlex-ID: agm005243740 · Space group: Pc (#7)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_408_spg7
LiV3(OF3)2 LiVF4
2023-05-07 14:41:42.695355
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005243740).
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 agm005243740
data_agm005243740
_cell_length_a 5.13018
_cell_length_b 5.49643
_cell_length_c 7.66675
_cell_angle_alpha 84.34498
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 215.13226
_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 0.51332 0.91465 0.21284 1.00000
Li2 Li 0.48668 0.91465 0.71284 1.00000
V1 V 0.01576 0.98959 0.99295 1.00000
V2 V 0.48254 0.50717 0.99822 1.00000
V3 V 0.98424 0.98959 0.49295 1.00000
V4 V 0.51746 0.50717 0.49822 1.00000
O1 O 0.68840 0.80997 0.44342 1.00000
O2 O 0.31160 0.80997 0.94342 1.00000
F1 F 0.85180 0.99535 0.74717 1.00000
F2 F 0.14820 0.99535 0.24717 1.00000
F3 F 0.82500 0.30967 0.43447 1.00000
F4 F 0.17500 0.30967 0.93447 1.00000
F5 F 0.79122 0.70743 0.07362 1.00000
F6 F 0.20878 0.70743 0.57362 1.00000
F7 F 0.68201 0.18341 0.06474 1.00000
F8 F 0.31799 0.18341 0.56474 1.00000
F9 F 0.61788 0.50272 0.75309 1.00000
F10 F 0.38212 0.50272 0.25309 1.00000
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