K3VF6
Alexandria ALEXAlex-ID: agm005962771 · Space group: P2_1/c (#14)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB3C6_77_spg128
K3VF6
2023-09-15 03:22:31
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005962771).
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 agm005962771
data_agm005962771
_cell_length_a 6.19406
_cell_length_b 6.38611
_cell_length_c 8.81001
_cell_angle_alpha 90.00000
_cell_angle_beta 90.19078
_cell_angle_gamma 90.00000
_cell_volume 348.48621
_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 0.51440 0.95049 0.75052 1.00000
K2 K 0.50000 0.50000 0.00000 1.00000
K3 K 0.48560 0.04951 0.24948 1.00000
K4 K 0.01440 0.54951 0.25052 1.00000
K5 K 0.00000 0.00000 0.50000 1.00000
K6 K 0.98560 0.45049 0.74948 1.00000
V1 V 0.50000 0.50000 0.50000 1.00000
V2 V 0.00000 0.00000 0.00000 1.00000
F1 F 0.74038 0.17382 0.95635 1.00000
F2 F 0.66504 0.24476 0.55885 1.00000
F3 F 0.59694 0.45955 0.28747 1.00000
F4 F 0.40306 0.54045 0.71253 1.00000
F5 F 0.33496 0.75524 0.44115 1.00000
F6 F 0.25962 0.82618 0.04365 1.00000
F7 F 0.24038 0.32618 0.45635 1.00000
F8 F 0.16504 0.25524 0.05885 1.00000
F9 F 0.09694 0.04045 0.78747 1.00000
F10 F 0.90306 0.95955 0.21253 1.00000
F11 F 0.83496 0.74476 0.94115 1.00000
F12 F 0.75962 0.67382 0.54365 1.00000
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