VOF3
Alexandria ALEXAlex-ID: agm005252200 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC3_9704_spg14
VOF3
2023-05-08 18:05:40.869957
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005252200).
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 agm005252200
data_agm005252200
_cell_length_a 8.38153
_cell_length_b 5.04798
_cell_length_c 8.83082
_cell_angle_alpha 74.42494
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 359.91042
_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 0.26764 0.07113 0.38331 1.00000
V2 V 0.23236 0.07113 0.88331 1.00000
V3 V 0.76764 0.92887 0.11669 1.00000
V4 V 0.73236 0.92887 0.61669 1.00000
O1 O 0.17350 0.07788 0.05532 1.00000
O2 O 0.32650 0.07788 0.55532 1.00000
O3 O 0.67350 0.92212 0.44468 1.00000
O4 O 0.82650 0.92212 0.94468 1.00000
F1 F 0.77154 0.27533 0.12028 1.00000
F2 F 0.72846 0.27533 0.62028 1.00000
F3 F 0.07263 0.20164 0.35954 1.00000
F4 F 0.40169 0.27064 0.24726 1.00000
F5 F 0.90169 0.72936 0.25274 1.00000
F6 F 0.57263 0.79836 0.14046 1.00000
F7 F 0.42737 0.20164 0.85954 1.00000
F8 F 0.09831 0.27064 0.74726 1.00000
F9 F 0.59831 0.72936 0.75274 1.00000
F10 F 0.92737 0.79836 0.64046 1.00000
F11 F 0.27154 0.72467 0.37972 1.00000
F12 F 0.22846 0.72467 0.87972 1.00000
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