LiV4O5F7
Alexandria ALEXAlex-ID: agm005287915 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5D7_0_spg1
Li2VF6 VOF2 V4O9 LiVF4
2023-05-07 11:39:37.988308
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005287915).
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 agm005287915
data_agm005287915
_cell_length_a 5.07328
_cell_length_b 5.36065
_cell_length_c 9.03746
_cell_angle_alpha 73.53749
_cell_angle_beta 75.06751
_cell_angle_gamma 62.86792
_cell_volume 207.38065
_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 0.43122 0.26067 0.86079 1.00000
V1 V 0.99378 0.99628 0.00748 1.00000
V2 V 0.79469 0.73368 0.74502 1.00000
V3 V 0.51445 0.51662 0.49762 1.00000
V4 V 0.20725 0.25975 0.24733 1.00000
O1 O 0.82966 0.85999 0.91525 1.00000
O2 O 0.65012 0.66927 0.58253 1.00000
O3 O 0.84253 0.41221 0.32830 1.00000
O4 O 0.16543 0.56211 0.67880 1.00000
O5 O 0.17064 0.17865 0.06390 1.00000
F1 F 0.73454 0.39319 0.88047 1.00000
F2 F 0.33683 0.94154 0.82424 1.00000
F3 F 0.71960 0.12833 0.63049 1.00000
F4 F 0.27082 0.86582 0.36584 1.00000
F5 F 0.66215 0.07782 0.18103 1.00000
F6 F 0.34172 0.31832 0.42326 1.00000
F7 F 0.23230 0.61966 0.12331 1.00000
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