KDySnF6
Alexandria ALEXAlex-ID: agm005096830 · Space group: P312 (#149)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_14_spg149
KSn2F5 KSnF3 KDy3F10
2022-12-15 07:12:45.316217
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005096830).
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 agm005096830
data_agm005096830
_cell_length_a 6.32697
_cell_length_b 6.32695
_cell_length_c 5.18405
_cell_angle_alpha 90.00752
_cell_angle_beta 89.99285
_cell_angle_gamma 59.94718
_cell_volume 179.62162
_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 0.00002 0.00006 0.00024 1.00000
Dy1 Dy 0.33340 0.33343 0.49949 1.00000
Sn1 Sn 0.66662 0.66665 0.50104 1.00000
F1 F 0.02508 0.35412 0.28022 1.00000
F2 F 0.35218 0.02667 0.71950 1.00000
F3 F 0.62121 0.35208 0.71956 1.00000
F4 F 0.02596 0.62174 0.71912 1.00000
F5 F 0.35397 0.62088 0.28015 1.00000
F6 F 0.62133 0.02442 0.28060 1.00000
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