LiVF4
Alexandria ALEXAlex-ID: agm005284813 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4_982_spg14
LiVF4
2023-05-09 19:51:16.404893
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005284813).
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 agm005284813
data_agm005284813
_cell_length_a 5.41524
_cell_length_b 6.15015
_cell_length_c 9.59708
_cell_angle_alpha 84.28657
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 318.03874
_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 0.95943 0.86404 0.23622 1.00000
Li2 Li 0.54057 0.86404 0.73622 1.00000
Li3 Li 0.45943 0.13596 0.26378 1.00000
Li4 Li 0.04057 0.13596 0.76378 1.00000
V1 V 0.46672 0.62824 0.13257 1.00000
V2 V 0.03328 0.62824 0.63257 1.00000
V3 V 0.96672 0.37176 0.36743 1.00000
V4 V 0.53328 0.37176 0.86743 1.00000
F1 F 0.61588 0.88905 0.19745 1.00000
F2 F 0.88412 0.88905 0.69745 1.00000
F3 F 0.17515 0.78613 0.08940 1.00000
F4 F 0.32485 0.78613 0.58940 1.00000
F5 F 0.90030 0.66701 0.42832 1.00000
F6 F 0.59970 0.66701 0.92832 1.00000
F7 F 0.29505 0.51060 0.31226 1.00000
F8 F 0.20495 0.51060 0.81226 1.00000
F9 F 0.79505 0.48940 0.18774 1.00000
F10 F 0.70495 0.48940 0.68774 1.00000
F11 F 0.40030 0.33299 0.07168 1.00000
F12 F 0.09970 0.33299 0.57168 1.00000
F13 F 0.67515 0.21387 0.41060 1.00000
F14 F 0.82485 0.21387 0.91060 1.00000
F15 F 0.11588 0.11095 0.30255 1.00000
F16 F 0.38412 0.11095 0.80255 1.00000
