LiV2F7
Alexandria ALEXAlex-ID: agm006229740 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C7_61_spg14
LiVF4 VF3
2024-11-02 14:49:55
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006229740).
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 agm006229740
data_agm006229740
_cell_length_a 5.06794
_cell_length_b 7.45800
_cell_length_c 13.01113
_cell_angle_alpha 84.62562
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 489.61602
_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 0.23911 0.17345 0.07978 1.00000
Li2 Li 0.26089 0.67345 0.07978 1.00000
Li3 Li 0.73911 0.32655 0.92022 1.00000
Li4 Li 0.76089 0.82655 0.92022 1.00000
V1 V 0.75585 0.35654 0.18094 1.00000
V2 V 0.74415 0.85654 0.18094 1.00000
V3 V 0.24927 0.28299 0.39364 1.00000
V4 V 0.25073 0.78299 0.39364 1.00000
V5 V 0.74927 0.21701 0.60636 1.00000
V6 V 0.75073 0.71701 0.60636 1.00000
V7 V 0.25585 0.14346 0.81906 1.00000
V8 V 0.24415 0.64346 0.81906 1.00000
F1 F 0.06979 0.43869 0.11046 1.00000
F2 F 0.56949 0.31667 0.05560 1.00000
F3 F 0.91040 0.10555 0.17571 1.00000
F4 F 0.43021 0.93869 0.11046 1.00000
F5 F 0.93051 0.81667 0.05560 1.00000
F6 F 0.58960 0.60555 0.17571 1.00000
F7 F 0.93373 0.37367 0.31571 1.00000
F8 F 0.44255 0.25897 0.26212 1.00000
F9 F 0.56627 0.87367 0.31571 1.00000
F10 F 0.05745 0.75897 0.26212 1.00000
F11 F 0.37732 0.53293 0.39298 1.00000
F12 F 0.12268 0.03293 0.39298 1.00000
F13 F 0.56035 0.19544 0.47483 1.00000
F14 F 0.06035 0.30456 0.52517 1.00000
F15 F 0.93965 0.69544 0.47483 1.00000
F16 F 0.43965 0.80456 0.52517 1.00000
F17 F 0.87732 0.96707 0.60702 1.00000
F18 F 0.62268 0.46707 0.60702 1.00000
F19 F 0.94255 0.24103 0.73788 1.00000
F20 F 0.43373 0.12633 0.68429 1.00000
F21 F 0.55745 0.74103 0.73788 1.00000
F22 F 0.06627 0.62633 0.68429 1.00000
F23 F 0.41040 0.39445 0.82429 1.00000
F24 F 0.06949 0.18333 0.94440 1.00000
F25 F 0.56979 0.06131 0.88954 1.00000
F26 F 0.08960 0.89445 0.82429 1.00000
F27 F 0.43051 0.68333 0.94440 1.00000
F28 F 0.93021 0.56131 0.88954 1.00000
