Li3V2(O2F)2
Alexandria ALEXAlex-ID: agm005243435 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B2C3D4_187_spg2
V3O5 Li3VO4 V2O3 LiF
2024-10-17 17:55:39
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005243435).
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 agm005243435
data_agm005243435
_cell_length_a 5.29356
_cell_length_b 15.00121
_cell_length_c 5.88619
_cell_angle_alpha 101.09248
_cell_angle_beta 91.29690
_cell_angle_gamma 86.37776
_cell_volume 457.74685
_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 0.31446 0.30954 0.18563 1.00000
Li2 Li 0.81448 0.80956 0.18561 1.00000
Li3 Li 0.18554 0.19046 0.81431 1.00000
Li4 Li 0.68553 0.69044 0.81437 1.00000
Li5 Li 0.70332 0.17739 0.09454 1.00000
Li6 Li 0.20333 0.67741 0.09455 1.00000
Li7 Li 0.79664 0.32261 0.90544 1.00000
Li8 Li 0.29665 0.82259 0.90542 1.00000
Li9 Li 0.85219 0.31577 0.41277 1.00000
Li10 Li 0.35230 0.81578 0.41280 1.00000
Li11 Li 0.64778 0.18422 0.58720 1.00000
Li12 Li 0.14780 0.68423 0.58718 1.00000
V1 V 0.49985 0.49999 0.99985 1.00000
V2 V 0.00014 0.00002 0.00017 1.00000
V3 V 0.00012 0.00000 0.50016 1.00000
V4 V 0.49988 0.49999 0.49985 1.00000
V5 V 0.49079 0.00656 0.25172 1.00000
V6 V 0.99051 0.50654 0.25140 1.00000
V7 V 0.00923 0.49346 0.74830 1.00000
V8 V 0.50948 0.99344 0.74862 1.00000
O1 O 0.33913 0.06984 0.03578 1.00000
O2 O 0.83881 0.56985 0.03552 1.00000
O3 O 0.16089 0.43015 0.96423 1.00000
O4 O 0.66119 0.93016 0.96451 1.00000
O5 O 0.68440 0.43054 0.21732 1.00000
O6 O 0.18467 0.93056 0.21761 1.00000
O7 O 0.81558 0.06945 0.78271 1.00000
O8 O 0.31535 0.56945 0.78243 1.00000
O9 O 0.81115 0.07032 0.28155 1.00000
O10 O 0.31091 0.57030 0.28124 1.00000
O11 O 0.68882 0.42968 0.71849 1.00000
O12 O 0.18910 0.92970 0.71879 1.00000
O13 O 0.16030 0.42929 0.44916 1.00000
O14 O 0.66054 0.92929 0.44945 1.00000
O15 O 0.33971 0.07071 0.55085 1.00000
O16 O 0.83942 0.57071 0.55056 1.00000
F1 F 0.99861 0.25491 0.10878 1.00000
F2 F 0.49863 0.75491 0.10877 1.00000
F3 F 0.50137 0.24509 0.89121 1.00000
F4 F 0.00137 0.74509 0.89118 1.00000
F5 F 0.54595 0.25163 0.35763 1.00000
F6 F 0.04598 0.75166 0.35762 1.00000
F7 F 0.95403 0.24837 0.64235 1.00000
F8 F 0.45405 0.74835 0.64235 1.00000
