LiV2OF5
Alexandria ALEXAlex-ID: agm005273249 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_891_spg1
LiV3(OF3)2 LiVF4
2024-10-15 18:45:44
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005273249).
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 agm005273249
data_agm005273249
_cell_length_a 5.24962
_cell_length_b 5.50788
_cell_length_c 17.26719
_cell_angle_alpha 84.67589
_cell_angle_beta 82.43697
_cell_angle_gamma 62.10272
_cell_volume 437.13120
_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 0.49911 0.67814 0.31330 1.00000
Li2 Li 0.62784 0.78950 0.92464 1.00000
Li3 Li 0.29030 0.39587 0.05841 1.00000
Li4 Li 0.34652 0.58154 0.66877 1.00000
V1 V 0.66514 0.59569 0.12887 1.00000
V2 V 0.75975 0.73640 0.74677 1.00000
V3 V 0.24036 0.25701 0.24472 1.00000
V4 V 0.09866 0.16682 0.62749 1.00000
V5 V 0.88827 0.86608 0.37951 1.00000
V6 V 0.46955 0.52257 0.49441 1.00000
V7 V 0.02829 0.96949 0.99797 1.00000
V8 V 0.37619 0.39110 0.87550 1.00000
O1 O 0.04122 0.40340 0.15362 1.00000
O2 O 0.04627 0.45099 0.69026 1.00000
O3 O 0.26261 0.66172 0.40707 1.00000
O4 O 0.31321 0.67681 0.93927 1.00000
F1 F 0.25113 0.78968 0.08958 1.00000
F2 F 0.18653 0.82473 0.57060 1.00000
F3 F 0.70104 0.28515 0.06393 1.00000
F4 F 0.55306 0.93657 0.17949 1.00000
F5 F 0.51180 0.52429 0.77752 1.00000
F6 F 0.68395 0.37084 0.59567 1.00000
F7 F 0.07325 0.00813 0.28140 1.00000
F8 F 0.80177 0.74726 0.02419 1.00000
F9 F 0.49864 0.91324 0.66609 1.00000
F10 F 0.69971 0.72225 0.46866 1.00000
F11 F 0.91787 0.56437 0.31089 1.00000
F12 F 0.95352 0.59129 0.84929 1.00000
F13 F 0.27091 0.29478 0.53592 1.00000
F14 F 0.49309 0.05921 0.33193 1.00000
F15 F 0.25829 0.19480 0.97250 1.00000
F16 F 0.97341 0.96215 0.71556 1.00000
F17 F 0.47931 0.46607 0.22548 1.00000
F18 F 0.46818 0.03743 0.82641 1.00000
F19 F 0.77988 0.20218 0.43211 1.00000
F20 F 0.78222 0.15378 0.91241 1.00000
