K4I2F
Alexandria ALEXAlex-ID: agm096565263 · Space group: Cm (#8)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C4_3714_spg12
KI K KF
2025-04-10 19:10:37
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096565263).
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 agm096565263
data_agm096565263
_cell_length_a 4.68519
_cell_length_b 7.30756
_cell_length_c 9.69905
_cell_angle_alpha 92.18091
_cell_angle_beta 103.62742
_cell_angle_gamma 89.81829
_cell_volume 322.48153
_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 0.12800 0.29916 0.88638 1.00000
K2 K 0.38289 0.21005 0.40795 1.00000
K3 K 0.00840 0.75356 0.67096 1.00000
K4 K 0.71757 0.69882 0.08066 1.00000
I1 I 0.74978 0.18942 0.13545 1.00000
I2 I 0.37435 0.70621 0.39546 1.00000
F1 F 0.13903 0.64278 0.92315 1.00000
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