NaV4O5F7
Alexandria ALEXAlex-ID: agm008977065 · Space group: P1 (#1)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C5D7_0_spg1
V4OF11 VOF2 Na2VF6 V4O9
2024-05-03 07:08:03.659472
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008977065).
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 agm008977065
data_agm008977065
_cell_length_a 5.38899
_cell_length_b 5.44537
_cell_length_c 9.33034
_cell_angle_alpha 89.93443
_cell_angle_beta 106.42782
_cell_angle_gamma 120.31007
_cell_volume 223.38460
_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
Na1 Na 0.73113 0.86054 0.62421 1.00000
V1 V 0.01529 0.03099 0.01467 1.00000
V2 V 0.50862 0.75975 0.23573 1.00000
V3 V 0.95805 0.45116 0.49273 1.00000
V4 V 0.48333 0.26464 0.73109 1.00000
O1 O 0.18505 0.30644 0.63400 1.00000
O2 O 0.25684 0.35026 0.13164 1.00000
O3 O 0.70161 0.88102 0.11111 1.00000
O4 O 0.71823 0.13366 0.36741 1.00000
O5 O 0.74007 0.42328 0.61955 1.00000
F1 F 0.29041 0.60414 0.39081 1.00000
F2 F 0.79183 0.15982 0.86105 1.00000
F3 F 0.29932 0.86672 0.62331 1.00000
F4 F 0.16514 0.80219 0.13033 1.00000
F5 F 0.26632 0.07776 0.88589 1.00000
F6 F 0.80869 0.68994 0.37889 1.00000
F7 F 0.71917 0.64385 0.86455 1.00000
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