LiVF5
Alexandria ALEXAlex-ID: agm005238735 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC5_221_spg15
LiVF5
2023-05-06 18:01:28.361985
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005238735).
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 agm005238735
data_agm005238735
_cell_length_a 5.58394
_cell_length_b 5.68099
_cell_length_c 7.41170
_cell_angle_alpha 102.37819
_cell_angle_beta 105.17758
_cell_angle_gamma 103.47983
_cell_volume 210.95029
_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 0.33025 0.65420 0.77525 1.00000
Li2 Li 0.66975 0.34580 0.22475 1.00000
V1 V 0.00000 0.00000 0.50000 1.00000
V2 V 0.00000 0.00000 0.00000 1.00000
F1 F 0.24320 0.31371 0.62672 1.00000
F2 F 0.76492 0.16329 0.40638 1.00000
F3 F 0.23508 0.83671 0.59362 1.00000
F4 F 0.90048 0.27859 0.08042 1.00000
F5 F 0.11686 0.98909 0.27127 1.00000
F6 F 0.75680 0.68629 0.37328 1.00000
F7 F 0.33133 0.21590 0.04383 1.00000
F8 F 0.66867 0.78410 0.95617 1.00000
F9 F 0.88314 0.01091 0.72873 1.00000
F10 F 0.09952 0.72141 0.91958 1.00000
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