K4Sr8F
Alexandria ALEXAlex-ID: agm098158323 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1778_spg6
K SrF2 Sr
2025-06-15 10:28:04
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm098158323).
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 agm098158323
data_agm098158323
_cell_length_a 4.29082
_cell_length_b 13.46626
_cell_length_c 13.08716
_cell_angle_alpha 71.43855
_cell_angle_beta 89.87861
_cell_angle_gamma 89.94755
_cell_volume 716.85675
_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 0.11710 0.04755 0.79221 1.00000
K2 K 0.11655 0.55290 0.95938 1.00000
K3 K 0.11264 0.54437 0.62600 1.00000
K4 K 0.11123 0.04727 0.45489 1.00000
Sr1 Sr 0.11720 0.04206 0.12144 1.00000
Sr2 Sr 0.11565 0.54823 0.28676 1.00000
Sr3 Sr 0.61223 0.79690 0.70423 1.00000
Sr4 Sr 0.61299 0.30620 0.53175 1.00000
Sr5 Sr 0.61441 0.79181 0.37467 1.00000
Sr6 Sr 0.61599 0.29666 0.20587 1.00000
Sr7 Sr 0.61792 0.29205 0.88180 1.00000
Sr8 Sr 0.61828 0.82049 0.03919 1.00000
F1 F 0.11782 0.91351 0.02179 1.00000
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