LiV4OF11
Alexandria ALEXAlex-ID: agm005286905 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC4D11_14_spg1
LiV3(OF3)2 VF3 LiVF4
2024-10-15 21:58:23
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005286905).
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 agm005286905
data_agm005286905
_cell_length_a 5.21764
_cell_length_b 5.51014
_cell_length_c 17.33774
_cell_angle_alpha 88.74769
_cell_angle_beta 98.16800
_cell_angle_gamma 117.71078
_cell_volume 436.25607
_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 0.69855 0.43888 0.95723 1.00000
Li2 Li 0.19975 0.67298 0.69567 1.00000
V1 V 0.99175 0.02114 0.00639 1.00000
V2 V 0.75495 0.35943 0.12320 1.00000
V3 V 0.98842 0.49416 0.49754 1.00000
V4 V 0.51679 0.24199 0.74782 1.00000
V5 V 0.50236 0.73965 0.24867 1.00000
V6 V 0.24535 0.11830 0.37324 1.00000
V7 V 0.74412 0.88548 0.62722 1.00000
V8 V 0.25209 0.62650 0.87613 1.00000
O1 O 0.81744 0.22509 0.03097 1.00000
O2 O 0.64099 0.01312 0.70965 1.00000
F1 F 0.74118 0.05401 0.18801 1.00000
F2 F 0.75125 0.17586 0.55810 1.00000
F3 F 0.74550 0.66611 0.05641 1.00000
F4 F 0.68460 0.52763 0.21404 1.00000
F5 F 0.67655 0.33699 0.40899 1.00000
F6 F 0.80773 0.40313 0.84707 1.00000
F7 F 0.81742 0.90116 0.33877 1.00000
F8 F 0.82062 0.71062 0.53825 1.00000
F9 F 0.31540 0.14466 0.09059 1.00000
F10 F 0.78145 0.57607 0.68883 1.00000
F11 F 0.26703 0.42761 0.31286 1.00000
F12 F 0.68268 0.82200 0.91040 1.00000
F13 F 0.18100 0.10976 0.66182 1.00000
F14 F 0.17688 0.28771 0.46318 1.00000
F15 F 0.18825 0.58499 0.16049 1.00000
F16 F 0.31508 0.47223 0.78108 1.00000
F17 F 0.29774 0.63948 0.59378 1.00000
F18 F 0.31904 0.95256 0.28605 1.00000
F19 F 0.26270 0.32002 0.93476 1.00000
F20 F 0.22840 0.81510 0.43923 1.00000
F21 F 0.25210 0.91750 0.80947 1.00000
F22 F 0.15695 0.77114 0.96233 1.00000
