KHo(FeI4)2
Alexandria ALEXAlex-ID: agm004886089 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_293_spg12
K3HoI6 HoI3 FeI2
2023-01-08 21:36:51.458164
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004886089).
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 agm004886089
data_agm004886089
_cell_length_a 7.43435
_cell_length_b 7.43435
_cell_length_c 10.37216
_cell_angle_alpha 87.32033
_cell_angle_beta 87.32033
_cell_angle_gamma 69.19165
_cell_volume 535.00779
_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
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Fe1 Fe 0.63015 0.63015 0.21911 1.00000
Fe2 Fe 0.36985 0.36985 0.78089 1.00000
I1 I 0.75580 0.25854 0.78825 1.00000
I2 I 0.75355 0.75355 0.00331 1.00000
I3 I 0.71066 0.71066 0.43993 1.00000
I4 I 0.28934 0.28934 0.56007 1.00000
I5 I 0.24645 0.24645 0.99669 1.00000
I6 I 0.25854 0.75580 0.78825 1.00000
I7 I 0.74146 0.24420 0.21175 1.00000
I8 I 0.24420 0.74146 0.21175 1.00000
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