K3VF7
Alexandria ALEXAlex-ID: agm002210883 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C7_7_spg8
K2VF6 KF
2018-07-15 05:57:32
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002210883).
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
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# CIF generated by HEAS from Alexandria entry agm002210883
data_agm002210883
_cell_length_a 5.99764
_cell_length_b 5.99777
_cell_length_c 6.32234
_cell_angle_alpha 111.75576
_cell_angle_beta 111.75616
_cell_angle_gamma 94.56933
_cell_volume 189.87304
_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 0.23533 0.76415 0.49892 1.00000
K2 K 0.47135 0.47133 0.94959 1.00000
K3 K 0.76417 0.23534 0.49893 1.00000
F1 F 0.09769 0.09769 0.81008 1.00000
F2 F 0.09837 0.67359 0.82998 1.00000
F3 F 0.28628 0.01726 0.23782 1.00000
F4 F 0.67357 0.09834 0.82993 1.00000
F5 F 0.67742 0.67741 0.70221 1.00000
F6 F 0.01722 0.28629 0.23780 1.00000
F7 F 0.84578 0.84579 0.18014 1.00000
V1 V 0.95783 0.95780 0.97460 1.00000
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