K2AgSnI5
Alexandria ALEXAlex-ID: agm005155529 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_224_spg36
K6SnI8 AgI SnI2
2023-01-07 23:23:48.742127
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005155529).
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 agm005155529
data_agm005155529
_cell_length_a 4.72931
_cell_length_b 10.63889
_cell_length_c 15.17605
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.84213
_cell_volume 744.47757
_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 0.87693 0.75386 0.82330 1.00000
K2 K 0.10601 0.21202 0.67885 1.00000
K3 K 0.12307 0.24614 0.32330 1.00000
K4 K 0.89399 0.78798 0.17885 1.00000
Ag1 Ag 0.55743 0.11486 0.93641 1.00000
Ag2 Ag 0.44257 0.88514 0.43641 1.00000
Sn1 Sn 0.79205 0.58411 0.52378 1.00000
Sn2 Sn 0.20795 0.41589 0.02378 1.00000
I1 I 0.35715 0.71431 0.00576 1.00000
I2 I 0.69927 0.39855 0.87713 1.00000
I3 I 0.49821 0.99642 0.77056 1.00000
I4 I 0.28424 0.56849 0.66915 1.00000
I5 I 0.95109 0.90218 0.53903 1.00000
I6 I 0.64285 0.28569 0.50576 1.00000
I7 I 0.30073 0.60145 0.37713 1.00000
I8 I 0.50179 0.00358 0.27056 1.00000
I9 I 0.71576 0.43151 0.16915 1.00000
I10 I 0.04891 0.09782 0.03903 1.00000
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