K5V(O2F)2
Alexandria ALEXAlex-ID: agm004680293 · Space group: Amm2 (#38)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4D5_22_spg38
K3VO4 KF
2022-06-22 22:23:30.909162
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004680293).
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 agm004680293
data_agm004680293
_cell_length_a 6.28097
_cell_length_b 5.91079
_cell_length_c 7.62982
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 122.09429
_cell_volume 239.97117
_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
K1 K 0.08768 0.37265 0.23740 1.00000
K2 K 0.41238 1.00000 0.50000 1.00000
K3 K 0.08768 0.37265 0.76260 1.00000
K4 K 0.71504 0.62735 0.76260 1.00000
K5 K 0.71504 0.62735 0.23740 1.00000
V1 V 0.41144 0.00000 0.00000 1.00000
O1 O 0.57652 1.00000 0.18573 1.00000
O2 O 0.57652 1.00000 0.81427 1.00000
O3 O 0.38777 0.28247 0.00000 1.00000
O4 O 0.10531 0.71753 0.00000 1.00000
F1 F 0.95628 0.58228 0.50000 1.00000
F2 F 0.37399 0.41772 0.50000 1.00000
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