LiVF5
Alexandria ALEXAlex-ID: agm005270127 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_21_spg14
LiVF5
2023-05-11 16:07:51.721898
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005270127).
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 agm005270127
data_agm005270127
_cell_length_a 9.71906
_cell_length_b 5.24502
_cell_length_c 7.60630
_cell_angle_alpha 74.16184
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 373.02421
_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 0.51806 0.51844 0.68428 1.00000
Li2 Li 0.01806 0.48156 0.81572 1.00000
Li3 Li 0.98194 0.51844 0.18428 1.00000
Li4 Li 0.48194 0.48156 0.31572 1.00000
V1 V 0.25091 0.06767 0.14125 1.00000
V2 V 0.75091 0.93233 0.35875 1.00000
V3 V 0.24909 0.06767 0.64125 1.00000
V4 V 0.74909 0.93233 0.85875 1.00000
F1 F 0.37679 0.80999 0.65758 1.00000
F2 F 0.37433 0.32995 0.13657 1.00000
F3 F 0.11415 0.33204 0.04871 1.00000
F4 F 0.88420 0.18829 0.27216 1.00000
F5 F 0.20017 0.07576 0.39110 1.00000
F6 F 0.12567 0.32995 0.63657 1.00000
F7 F 0.87679 0.19001 0.84242 1.00000
F8 F 0.38585 0.33204 0.54871 1.00000
F9 F 0.61580 0.18829 0.77216 1.00000
F10 F 0.29983 0.07576 0.89110 1.00000
F11 F 0.70017 0.92424 0.10890 1.00000
F12 F 0.38420 0.81171 0.22784 1.00000
F13 F 0.61415 0.66796 0.45129 1.00000
F14 F 0.12321 0.80999 0.15758 1.00000
F15 F 0.87433 0.67005 0.36343 1.00000
F16 F 0.79983 0.92424 0.60890 1.00000
F17 F 0.11580 0.81171 0.72784 1.00000
F18 F 0.88585 0.66796 0.95129 1.00000
F19 F 0.62567 0.67005 0.86343 1.00000
F20 F 0.62321 0.19001 0.34242 1.00000
