VOF3
Alexandria ALEXAlex-ID: agm005226915 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_9703_spg1
VOF3
2023-05-08 17:48:46.719631
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005226915).
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 agm005226915
data_agm005226915
_cell_length_a 5.58225
_cell_length_b 5.71492
_cell_length_c 9.38503
_cell_angle_alpha 89.99158
_cell_angle_beta 89.89173
_cell_angle_gamma 85.07644
_cell_volume 298.29714
_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
V1 V 0.08860 0.05245 0.00553 1.00000
V2 V 0.57120 0.48606 0.99222 1.00000
V3 V 0.43817 0.94735 0.50568 1.00000
V4 V 0.93827 0.44737 0.49495 1.00000
O1 O 0.29256 0.24055 0.01675 1.00000
O2 O 0.74742 0.25625 0.47209 1.00000
O3 O 0.24603 0.75741 0.52858 1.00000
O4 O 0.79336 0.27988 0.96521 1.00000
F1 F 0.25581 0.76980 0.03634 1.00000
F2 F 0.43143 0.01358 0.32148 1.00000
F3 F 0.54400 0.48418 0.17997 1.00000
F4 F 0.05661 0.49992 0.32383 1.00000
F5 F 0.94761 0.03897 0.17455 1.00000
F6 F 0.22290 0.23457 0.53366 1.00000
F7 F 0.72194 0.73335 0.46673 1.00000
F8 F 0.05810 0.98977 0.82215 1.00000
F9 F 0.92880 0.51419 0.67915 1.00000
F10 F 0.43003 0.51466 0.82351 1.00000
F11 F 0.55698 0.99866 0.67667 1.00000
F12 F 0.73018 0.74103 0.98095 1.00000
Get direct link