LiVF5
Alexandria ALEXAlex-ID: agm005221789 · Space group: Pna2_1 (#33)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_1417_spg33
LiVF5
2023-05-11 16:26:57.170911
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005221789).
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 agm005221789
data_agm005221789
_cell_length_a 5.22686
_cell_length_b 7.40648
_cell_length_c 10.17809
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 394.02103
_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 0.77101 0.14688 0.00853 1.00000
Li2 Li 0.27101 0.35312 0.50853 1.00000
Li3 Li 0.72899 0.64688 0.00853 1.00000
Li4 Li 0.22899 0.85312 0.50853 1.00000
V1 V 0.27644 0.12771 0.24524 1.00000
V2 V 0.77644 0.37229 0.74524 1.00000
V3 V 0.22356 0.62771 0.24524 1.00000
V4 V 0.72356 0.87229 0.74524 1.00000
F1 F 0.97427 0.07679 0.16397 1.00000
F2 F 0.15981 0.08972 0.42078 1.00000
F3 F 0.61987 0.12114 0.74629 1.00000
F4 F 0.43726 0.15400 0.08286 1.00000
F5 F 0.54531 0.23055 0.32638 1.00000
F6 F 0.93726 0.34600 0.58286 1.00000
F7 F 0.04531 0.26945 0.82638 1.00000
F8 F 0.11987 0.37886 0.24629 1.00000
F9 F 0.47427 0.42321 0.66397 1.00000
F10 F 0.65981 0.41028 0.92078 1.00000
F11 F 0.52573 0.57679 0.16397 1.00000
F12 F 0.34019 0.58972 0.42078 1.00000
F13 F 0.88013 0.62114 0.74629 1.00000
F14 F 0.06274 0.65400 0.08286 1.00000
F15 F 0.95469 0.73055 0.32638 1.00000
F16 F 0.56274 0.84600 0.58286 1.00000
F17 F 0.45469 0.76945 0.82638 1.00000
F18 F 0.38013 0.87886 0.24629 1.00000
F19 F 0.02573 0.92321 0.66397 1.00000
F20 F 0.84019 0.91028 0.92078 1.00000
