LiV6O7F5
Alexandria ALEXAlex-ID: agm005233412 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB5C6D7_0_spg1
LiV3(OF3)2 V2O3 LiF
2023-05-07 21:49:26.587138
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005233412).
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 agm005233412
data_agm005233412
_cell_length_a 5.68726
_cell_length_b 5.66627
_cell_length_c 7.56021
_cell_angle_alpha 71.45412
_cell_angle_beta 71.07891
_cell_angle_gamma 72.09449
_cell_volume 212.75384
_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 0.45280 0.95046 0.54993 1.00000
V1 V 0.67463 0.66381 0.84769 1.00000
V2 V 0.37459 0.34069 0.69489 1.00000
V3 V 0.66757 0.65026 0.31985 1.00000
V4 V 0.99285 0.02104 0.48806 1.00000
V5 V 0.31798 0.30445 0.16021 1.00000
V6 V 0.96906 0.02256 0.99825 1.00000
O1 O 0.21633 0.22438 0.97016 1.00000
O2 O 0.56962 0.58941 0.62694 1.00000
O3 O 0.64702 0.02776 0.67306 1.00000
O4 O 0.96829 0.36411 0.33477 1.00000
O5 O 0.35410 0.94326 0.33901 1.00000
O6 O 0.77328 0.76545 0.03582 1.00000
O7 O 0.67663 0.30900 0.99857 1.00000
F1 F 0.04679 0.63435 0.66475 1.00000
F2 F 0.12028 0.10496 0.69256 1.00000
F3 F 0.87544 0.91159 0.29926 1.00000
F4 F 0.43719 0.39936 0.37653 1.00000
F5 F 0.28929 0.70131 0.00523 1.00000
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