KSrAsF6
Alexandria ALEXAlex-ID: agm005097352 · Space group: P312 (#149)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABCD6_14_spg149
KAsF4 SrF2
2022-12-15 05:51:58.496080
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005097352).
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 agm005097352
data_agm005097352
_cell_length_a 6.13800
_cell_length_b 6.13832
_cell_length_c 5.34857
_cell_angle_alpha 90.00988
_cell_angle_beta 89.99720
_cell_angle_gamma 59.98271
_cell_volume 174.48917
_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 0.99995 0.99999 0.00002 1.00000
Sr1 Sr 0.66660 0.66665 0.50004 1.00000
As1 As 0.33329 0.33334 0.49996 1.00000
F1 F 0.04197 0.34535 0.28849 1.00000
F2 F 0.34525 0.04213 0.71147 1.00000
F3 F 0.61275 0.34538 0.71159 1.00000
F4 F 0.04186 0.61265 0.71157 1.00000
F5 F 0.34535 0.61285 0.28841 1.00000
F6 F 0.61274 0.04171 0.28838 1.00000
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