K2SnAuI5
Alexandria ALEXAlex-ID: agm005155575 · Space group: Cmc2_1 (#36)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
ABC2D5_220_spg36
K6SnI8 SnI2 AuI
2023-01-08 10:16:16.997058
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005155575).
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 agm005155575
data_agm005155575
_cell_length_a 4.66341
_cell_length_b 10.67646
_cell_length_c 15.05980
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 102.61489
_cell_volume 731.70729
_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 0.87968 0.75935 0.83392 1.00000
K2 K 0.12107 0.24215 0.69923 1.00000
K3 K 0.12032 0.24065 0.33392 1.00000
K4 K 0.87893 0.75785 0.19923 1.00000
Sn1 Sn 0.79690 0.59380 0.51561 1.00000
Sn2 Sn 0.20310 0.40620 0.01561 1.00000
Au1 Au 0.52705 0.05409 0.93732 1.00000
Au2 Au 0.47295 0.94591 0.43732 1.00000
I1 I 0.35126 0.70252 0.01585 1.00000
I2 I 0.70461 0.40923 0.86559 1.00000
I3 I 0.49824 0.99648 0.76153 1.00000
I4 I 0.29638 0.59276 0.66242 1.00000
I5 I 0.95895 0.91790 0.53250 1.00000
I6 I 0.64874 0.29748 0.51585 1.00000
I7 I 0.29539 0.59077 0.36559 1.00000
I8 I 0.50176 0.00352 0.26153 1.00000
I9 I 0.70362 0.40724 0.16242 1.00000
I10 I 0.04105 0.08210 0.03250 1.00000
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