LiVF5
Alexandria ALEXAlex-ID: agm005222845 · Space group: Pnma (#62)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_1418_spg62
LiVF5
2023-05-11 14:58:56.746782
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005222845).
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 agm005222845
data_agm005222845
_cell_length_a 5.99661
_cell_length_b 7.69744
_cell_length_c 7.76267
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 358.31336
_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 0.76989 0.25000 0.65335 1.00000
Li2 Li 0.73011 0.75000 0.15335 1.00000
Li3 Li 0.26989 0.25000 0.84665 1.00000
Li4 Li 0.23011 0.75000 0.34665 1.00000
V1 V 0.76464 0.75000 0.59788 1.00000
V2 V 0.73536 0.25000 0.09788 1.00000
V3 V 0.26464 0.75000 0.90212 1.00000
V4 V 0.23536 0.25000 0.40212 1.00000
F1 F 0.00341 0.25000 0.98287 1.00000
F2 F 0.90178 0.75000 0.37807 1.00000
F3 F 0.91521 0.25000 0.31333 1.00000
F4 F 0.78072 0.98282 0.62435 1.00000
F5 F 0.78072 0.51718 0.62435 1.00000
F6 F 0.71928 0.01718 0.12435 1.00000
F7 F 0.71928 0.48282 0.12435 1.00000
F8 F 0.58479 0.75000 0.81333 1.00000
F9 F 0.59822 0.25000 0.87807 1.00000
F10 F 0.49659 0.75000 0.48287 1.00000
F11 F 0.50341 0.25000 0.51713 1.00000
F12 F 0.40178 0.75000 0.12193 1.00000
F13 F 0.41521 0.25000 0.18667 1.00000
F14 F 0.28072 0.51718 0.87565 1.00000
F15 F 0.28072 0.98282 0.87565 1.00000
F16 F 0.21928 0.01718 0.37565 1.00000
F17 F 0.21928 0.48282 0.37565 1.00000
F18 F 0.08479 0.75000 0.68667 1.00000
F19 F 0.09822 0.25000 0.62193 1.00000
F20 F 0.99659 0.75000 0.01713 1.00000
