LiV3OF11
Alexandria ALEXAlex-ID: agm005288152 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3D11_30_spg1
VF4 VOF2 LiVF5
2023-05-07 07:14:57.208551
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005288152).
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 agm005288152
data_agm005288152
_cell_length_a 5.44195
_cell_length_b 6.32361
_cell_length_c 7.64105
_cell_angle_alpha 111.69761
_cell_angle_beta 110.33888
_cell_angle_gamma 88.88282
_cell_volume 227.28696
_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 0.30574 0.55153 0.69148 1.00000
V1 V 0.60811 0.18768 0.35235 1.00000
V2 V 0.33270 0.70832 0.19914 1.00000
V3 V 0.92704 0.92745 0.93496 1.00000
O1 O 0.28631 0.98897 0.16820 1.00000
F1 F 0.75816 0.06082 0.13750 1.00000
F2 F 0.96369 0.64798 0.00208 1.00000
F3 F 0.93922 0.31177 0.52203 1.00000
F4 F 0.60161 0.78938 0.75498 1.00000
F5 F 0.49146 0.42269 0.26046 1.00000
F6 F 0.66879 0.88857 0.39295 1.00000
F7 F 0.47449 0.30120 0.55577 1.00000
F8 F 0.42922 0.57055 0.98248 1.00000
F9 F 0.19669 0.72603 0.38279 1.00000
F10 F 0.98284 0.20220 0.93833 1.00000
F11 F 0.07784 0.78864 0.74603 1.00000
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