K4FeI8
Alexandria ALEXAlex-ID: agm097444495 · Space group: Pm (#6)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB4C8_1733_spg38
KFe2I9 KI
2025-06-16 05:30:38
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097444495).
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 agm097444495
data_agm097444495
_cell_length_a 4.59351
_cell_length_b 11.91917
_cell_length_c 12.48205
_cell_angle_alpha 65.17168
_cell_angle_beta 89.97887
_cell_angle_gamma 89.99430
_cell_volume 620.23529
_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 0.96158 0.20361 0.85019 1.00000
K2 K 0.96105 0.44583 0.09155 1.00000
K3 K 0.96126 0.54650 0.48452 1.00000
K4 K 0.96049 0.12421 0.48979 1.00000
Fe1 Fe 0.46363 0.79958 0.03346 1.00000
I1 I 0.46230 0.00188 0.05850 1.00000
I2 I 0.46224 0.59650 0.23205 1.00000
I3 I 0.46078 0.66681 0.64568 1.00000
I4 I 0.46085 0.28183 0.60362 1.00000
I5 I 0.46058 0.90808 0.44894 1.00000
I6 I 0.46075 0.21501 0.25960 1.00000
I7 I 0.46117 0.41833 0.88387 1.00000
I8 I 0.96333 0.79183 0.91823 1.00000
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