Li3V4O7F5
Alexandria ALEXAlex-ID: agm005223529 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C5D7_2_spg1
Li3VF6 V4O9 LiF VO2
2023-05-08 02:06:08.194641
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005223529).
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 agm005223529
data_agm005223529
_cell_length_a 5.57454
_cell_length_b 5.72057
_cell_length_c 9.20113
_cell_angle_alpha 105.51431
_cell_angle_beta 92.87586
_cell_angle_gamma 111.62201
_cell_volume 259.18616
_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 0.49620 0.40876 0.23382 1.00000
Li2 Li 0.94121 0.58636 0.63701 1.00000
Li3 Li 0.69530 0.49638 0.91757 1.00000
V1 V 0.40984 0.00724 0.46683 1.00000
V2 V 0.00507 0.06875 0.99773 1.00000
V3 V 0.89565 0.09145 0.31832 1.00000
V4 V 0.39329 0.93291 0.84216 1.00000
O1 O 0.78648 0.16102 0.90867 1.00000
O2 O 0.60590 0.15571 0.31541 1.00000
O3 O 0.36714 0.22415 0.98476 1.00000
O4 O 0.03177 0.76642 0.86460 1.00000
O5 O 0.11610 0.27598 0.21575 1.00000
O6 O 0.10075 0.89223 0.37151 1.00000
O7 O 0.33710 0.89558 0.64793 1.00000
F1 F 0.59474 0.77590 0.40283 1.00000
F2 F 0.04646 0.33288 0.51670 1.00000
F3 F 0.45818 0.64490 0.86341 1.00000
F4 F 0.79385 0.81032 0.11006 1.00000
F5 F 0.58235 0.34956 0.60404 1.00000
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