LiV4O5F7
Alexandria ALEXAlex-ID: agm005237120 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5D7_6_spg1
Li2VF6 VOF2 V4O9 LiVF4
2024-10-15 20:49:57
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005237120).
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 agm005237120
data_agm005237120
_cell_length_a 5.38794
_cell_length_b 9.08738
_cell_length_c 9.13079
_cell_angle_alpha 69.65216
_cell_angle_beta 87.73037
_cell_angle_gamma 87.49652
_cell_volume 418.62392
_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 0.90173 0.35638 0.85701 1.00000
Li2 Li 0.58412 0.90142 0.89034 1.00000
V1 V 0.99647 0.48615 0.49129 1.00000
V2 V 0.03121 0.23723 0.25807 1.00000
V3 V 0.44939 0.25287 0.74614 1.00000
V4 V 0.03170 0.01922 0.00083 1.00000
V5 V 0.53208 0.74288 0.25711 1.00000
V6 V 0.95990 0.74106 0.75197 1.00000
V7 V 0.51219 0.52208 0.00299 1.00000
V8 V 0.50219 0.97544 0.50422 1.00000
O1 O 0.00573 0.17180 0.07210 1.00000
O2 O 0.28069 0.12887 0.33945 1.00000
O3 O 0.99336 0.34328 0.41421 1.00000
O4 O 0.31738 0.06493 0.87548 1.00000
O5 O 0.78726 0.63259 0.33018 1.00000
O6 O 0.19138 0.37262 0.68221 1.00000
O7 O 0.50651 0.67711 0.06812 1.00000
O8 O 0.81628 0.56799 0.87421 1.00000
O9 O 0.49754 0.84019 0.41484 1.00000
O10 O 0.69418 0.87484 0.68420 1.00000
F1 F 0.79192 0.08136 0.37797 1.00000
F2 F 0.80577 0.13671 0.82414 1.00000
F3 F 0.49201 0.16917 0.57939 1.00000
F4 F 0.71054 0.37381 0.16683 1.00000
F5 F 0.70535 0.42025 0.63707 1.00000
F6 F 0.20821 0.42204 0.11645 1.00000
F7 F 0.51621 0.32878 0.92141 1.00000
F8 F 0.29895 0.58033 0.37648 1.00000
F9 F 0.69720 0.92711 0.10894 1.00000
F10 F 0.30369 0.62291 0.82480 1.00000
F11 F 0.99147 0.66993 0.57314 1.00000
F12 F 0.21049 0.86886 0.17071 1.00000
F13 F 0.19953 0.90908 0.63600 1.00000
F14 F 0.97226 0.83531 0.92178 1.00000
