V4(OF3)3
Alexandria ALEXAlex-ID: agm005280023 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A3B4C9_55_spg1
VOF2 V4OF11
2023-05-07 16:45:07.754218
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005280023).
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 agm005280023
data_agm005280023
_cell_length_a 6.01559
_cell_length_b 5.38701
_cell_length_c 8.99867
_cell_angle_alpha 110.49036
_cell_angle_beta 87.07392
_cell_angle_gamma 121.83979
_cell_volume 228.76285
_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 0.18840 0.90518 0.65991 1.00000
V2 V 0.50259 0.55497 0.51946 1.00000
V3 V 0.24863 0.00050 0.07229 1.00000
V4 V 0.82810 0.24771 0.96411 1.00000
O1 O 0.00657 0.61420 0.88205 1.00000
O2 O 0.41156 0.27865 0.59402 1.00000
O3 O 0.00620 0.55090 0.71483 1.00000
F1 F 0.24807 0.62505 0.46117 1.00000
F2 F 0.05640 0.13168 0.82302 1.00000
F3 F 0.53895 0.92328 0.04653 1.00000
F4 F 0.55776 0.91805 0.72035 1.00000
F5 F 0.51579 0.30014 0.97102 1.00000
F6 F 0.46590 0.32717 0.29481 1.00000
F7 F 0.01864 0.66380 0.15560 1.00000
F8 F 0.03410 0.17910 0.10657 1.00000
F9 F 0.87234 0.77964 0.51425 1.00000
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