K5Y2F12
Alexandria ALEXAlex-ID: agm005670024 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
A2B5C12_124_spg12
KF3 K3YF6 K2YF5
2023-06-23 06:22:39.337386
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005670024).
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 agm005670024
data_agm005670024
_cell_length_a 6.68624
_cell_length_b 7.76286
_cell_length_c 7.76286
_cell_angle_alpha 62.11209
_cell_angle_beta 84.34634
_cell_angle_gamma 84.34635
_cell_volume 353.76900
_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 0.04905 0.24195 0.24195 1.00000
K2 K 0.54212 0.35004 0.35004 1.00000
K3 K 0.50000 0.00000 0.00000 1.00000
K4 K 0.45788 0.64996 0.64996 1.00000
K5 K 0.95095 0.75805 0.75805 1.00000
Y1 Y 1.00000 0.74619 0.25381 1.00000
Y2 Y 0.00000 0.25381 0.74619 1.00000
F1 F 0.86537 0.07281 0.07281 1.00000
F2 F 0.22724 0.17448 0.55828 1.00000
F3 F 0.22724 0.55828 0.17448 1.00000
F4 F 0.76510 0.09374 0.69817 1.00000
F5 F 0.76510 0.69817 0.09374 1.00000
F6 F 0.86370 0.44021 0.44021 1.00000
F7 F 0.13630 0.55979 0.55979 1.00000
F8 F 0.23490 0.90626 0.30183 1.00000
F9 F 0.23490 0.30183 0.90626 1.00000
F10 F 0.77276 0.82552 0.44172 1.00000
F11 F 0.77276 0.44172 0.82552 1.00000
F12 F 0.13463 0.92719 0.92719 1.00000
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