KHo(SnI4)2
Alexandria ALEXAlex-ID: agm013365729 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_1144_spg2
K6SnI8 HoI3 SnI2
2024-12-21 21:51:13
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013365729).
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 agm013365729
data_agm013365729
_cell_length_a 8.00318
_cell_length_b 7.81529
_cell_length_c 9.25559
_cell_angle_alpha 89.62360
_cell_angle_beta 90.05908
_cell_angle_gamma 89.30060
_cell_volume 578.85491
_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 0.50000 0.50000 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.49920 0.00067 0.74413 1.00000
Sn2 Sn 0.50080 0.99933 0.25587 1.00000
I1 I 0.83568 0.21736 0.23099 1.00000
I2 I 0.30508 0.22808 0.99877 1.00000
I3 I 0.16904 0.77654 0.22708 1.00000
I4 I 0.16432 0.78264 0.76901 1.00000
I5 I 0.69492 0.77192 0.00123 1.00000
I6 I 0.83096 0.22346 0.77292 1.00000
I7 I 0.62742 0.75702 0.50176 1.00000
I8 I 0.37258 0.24298 0.49824 1.00000
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