KDy(SnI4)2
Alexandria ALEXAlex-ID: agm019669130 · Space group: P2/m (#10)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D8_162_spg2
K6SnI8 DyI3 SnI2
2024-12-19 06:05:20
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019669130).
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 agm019669130
data_agm019669130
_cell_length_a 8.01766
_cell_length_b 7.81104
_cell_length_c 9.26281
_cell_angle_alpha 89.63818
_cell_angle_beta 90.06601
_cell_angle_gamma 89.27417
_cell_volume 580.03669
_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
Dy1 Dy 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.49898 0.00060 0.74414 1.00000
Sn2 Sn 0.50102 0.99940 0.25586 1.00000
I1 I 0.83448 0.21843 0.23127 1.00000
I2 I 0.30592 0.22870 0.99859 1.00000
I3 I 0.16986 0.77630 0.22805 1.00000
I4 I 0.16552 0.78157 0.76873 1.00000
I5 I 0.69408 0.77130 0.00141 1.00000
I6 I 0.83014 0.22370 0.77195 1.00000
I7 I 0.62793 0.75750 0.50165 1.00000
I8 I 0.37207 0.24250 0.49835 1.00000
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