VOF
Alexandria ALEXAlex-ID: agm005265759 · Space group: Fdd2 (#43)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC_91_spg70
VOF
2024-10-09 06:12:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005265759).
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 agm005265759
data_agm005265759
_cell_length_a 5.16682
_cell_length_b 5.16687
_cell_length_c 5.88340
_cell_angle_alpha 110.13415
_cell_angle_beta 110.13769
_cell_angle_gamma 102.48607
_cell_volume 128.08267
_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 0.11791 0.46748 0.77828 1.00000
V2 V 0.34183 0.19142 0.22614 1.00000
V3 V 0.69090 0.84236 0.72613 1.00000
V4 V 0.96698 0.61845 0.27827 1.00000
O1 O 0.76759 0.48741 0.49304 1.00000
O2 O 0.99603 0.77728 0.01145 1.00000
O3 O 0.98694 0.26809 0.99303 1.00000
O4 O 0.27677 0.49655 0.51142 1.00000
F1 F 0.40276 0.97683 0.47930 1.00000
F2 F 0.92560 0.99976 0.52507 1.00000
F3 F 0.49935 0.42649 0.02522 1.00000
F4 F 0.47602 0.90344 0.97899 1.00000
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