LiV4O5F7
Alexandria ALEXAlex-ID: agm005255688 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5D7_5_spg1
Li2VF6 VOF2 V4O9 LiVF4
2024-10-15 19:53:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005255688).
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 agm005255688
data_agm005255688
_cell_length_a 5.23049
_cell_length_b 5.38220
_cell_length_c 17.24113
_cell_angle_alpha 95.74780
_cell_angle_beta 81.23617
_cell_angle_gamma 119.37278
_cell_volume 417.84889
_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 0.62148 0.21870 0.92677 1.00000
Li2 Li 0.60610 0.52762 0.32252 1.00000
V1 V 0.77694 0.28888 0.74739 1.00000
V2 V 0.84510 0.12829 0.36902 1.00000
V3 V 0.52354 0.52918 0.49758 1.00000
V4 V 0.62846 0.34254 0.12732 1.00000
V5 V 0.32891 0.64189 0.87217 1.00000
V6 V 0.25134 0.74048 0.25193 1.00000
V7 V 0.97989 0.95542 0.00346 1.00000
V8 V 0.13645 0.90963 0.62117 1.00000
O1 O 0.94665 0.45131 0.31479 1.00000
O2 O 0.52886 0.05168 0.17929 1.00000
O3 O 0.76472 0.80658 0.44007 1.00000
O4 O 0.73839 0.68661 0.06272 1.00000
O5 O 0.23471 0.18187 0.56196 1.00000
O6 O 0.48270 0.92376 0.81259 1.00000
O7 O 0.23871 0.80523 0.95790 1.00000
O8 O 0.97962 0.41775 0.84334 1.00000
O9 O 0.51161 0.90311 0.33510 1.00000
O10 O 0.00545 0.57170 0.69169 1.00000
F1 F 0.98219 0.06261 0.71325 1.00000
F2 F 0.51272 0.07306 0.66419 1.00000
F3 F 0.71964 0.29524 0.46441 1.00000
F4 F 0.76488 0.83137 0.91239 1.00000
F5 F 0.78376 0.20899 0.02687 1.00000
F6 F 0.51353 0.43702 0.79599 1.00000
F7 F 0.73122 0.67377 0.59111 1.00000
F8 F 0.29521 0.31331 0.93884 1.00000
F9 F 0.27413 0.33741 0.40788 1.00000
F10 F 0.48827 0.52492 0.21854 1.00000
F11 F 0.24448 0.17967 0.08464 1.00000
F12 F 0.26207 0.68805 0.54086 1.00000
F13 F 0.02474 0.57221 0.15778 1.00000
F14 F 0.05242 0.98471 0.28592 1.00000
