KSr2CuF8
Alexandria ALEXAlex-ID: agm004909986 · Space group: P-1 (#2)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_524_spg2
KCuF4 SrF2
2022-12-20 09:19:34.371245
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004909986).
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 agm004909986
data_agm004909986
_cell_length_a 4.30545
_cell_length_b 5.75203
_cell_length_c 8.18226
_cell_angle_alpha 95.41190
_cell_angle_beta 84.96841
_cell_angle_gamma 97.68038
_cell_volume 199.34166
_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 0.00000 0.00000 0.50000 1.00000
Sr1 Sr 0.47158 0.49227 0.74785 1.00000
Sr2 Sr 0.52842 0.50773 0.25215 1.00000
Cu1 Cu 0.00000 0.00000 0.00000 1.00000
F1 F 0.06253 0.68052 0.22672 1.00000
F2 F 0.64910 0.78651 0.00334 1.00000
F3 F 0.87074 0.15089 0.19032 1.00000
F4 F 0.93747 0.31948 0.77328 1.00000
F5 F 0.35090 0.21349 0.99666 1.00000
F6 F 0.12926 0.84911 0.80968 1.00000
F7 F 0.47714 0.73026 0.52005 1.00000
F8 F 0.52286 0.26974 0.47995 1.00000
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