LiV2OF5
Alexandria ALEXAlex-ID: agm005267181 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_893_spg1
LiV3(OF3)2 LiVF4
2024-10-15 18:55:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005267181).
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 agm005267181
data_agm005267181
_cell_length_a 4.65428
_cell_length_b 5.20302
_cell_length_c 17.04333
_cell_angle_alpha 90.25718
_cell_angle_beta 90.25533
_cell_angle_gamma 90.03963
_cell_volume 412.71815
_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 0.02578 0.75253 0.62078 1.00000
Li2 Li 0.99059 0.24474 0.38175 1.00000
Li3 Li 0.50037 0.74758 0.12135 1.00000
Li4 Li 0.50983 0.22742 0.88197 1.00000
V1 V 0.02198 0.27656 0.71622 1.00000
V2 V 0.97398 0.75002 0.94325 1.00000
V3 V 0.99217 0.24706 0.04850 1.00000
V4 V 0.96815 0.76580 0.28430 1.00000
V5 V 0.50253 0.75057 0.78381 1.00000
V6 V 0.52208 0.76188 0.44288 1.00000
V7 V 0.50769 0.22864 0.21652 1.00000
V8 V 0.50701 0.25923 0.54849 1.00000
O1 O 0.72824 0.93109 0.20931 1.00000
O2 O 0.77595 0.90658 0.37443 1.00000
O3 O 0.72432 0.88059 0.87096 1.00000
O4 O 0.24566 0.57020 0.71371 1.00000
F1 F 0.76942 0.91524 0.03785 1.00000
F2 F 0.76185 0.40391 0.96296 1.00000
F3 F 0.73677 0.41103 0.79261 1.00000
F4 F 0.77375 0.41845 0.62409 1.00000
F5 F 0.72761 0.40468 0.12519 1.00000
F6 F 0.77072 0.93681 0.70687 1.00000
F7 F 0.75683 0.41937 0.29402 1.00000
F8 F 0.72635 0.92694 0.53982 1.00000
F9 F 0.73523 0.41863 0.46329 1.00000
F10 F 0.28876 0.58764 0.53773 1.00000
F11 F 0.28484 0.09606 0.46253 1.00000
F12 F 0.22991 0.08769 0.29350 1.00000
F13 F 0.25662 0.09030 0.12407 1.00000
F14 F 0.25867 0.58119 0.87403 1.00000
F15 F 0.24270 0.09993 0.62565 1.00000
F16 F 0.23871 0.59429 0.37222 1.00000
F17 F 0.25763 0.56503 0.21129 1.00000
F18 F 0.26741 0.07946 0.79370 1.00000
F19 F 0.21150 0.08500 0.96166 1.00000
F20 F 0.20840 0.57787 0.03870 1.00000
