K8SnI4
Alexandria ALEXAlex-ID: agm097615928 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1872_spg6
KSn K KI
2025-06-16 08:56:37
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097615928).
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}
}
晶体结构 3D 渲染
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# CIF generated by HEAS from Alexandria entry agm097615928
data_agm097615928
_cell_length_a 5.63990
_cell_length_b 8.76387
_cell_length_c 13.73913
_cell_angle_alpha 77.32776
_cell_angle_beta 89.99756
_cell_angle_gamma 90.00763
_cell_volume 662.54656
_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 0.88560 0.13772 0.29769 1.00000
K2 K 0.88545 0.76340 0.16519 1.00000
K3 K 0.88287 0.57390 0.68918 1.00000
K4 K 0.38341 0.20812 0.57016 1.00000
K5 K 0.38478 0.73269 0.38848 1.00000
K6 K 0.38570 0.44241 0.09867 1.00000
K7 K 0.88573 0.18628 0.99416 1.00000
K8 K 0.38525 0.90496 0.88591 1.00000
Sn1 Sn 0.38600 0.02012 0.15472 1.00000
I1 I 0.88324 0.16089 0.74410 1.00000
I2 I 0.88508 0.61140 0.94075 1.00000
I3 I 0.88395 0.45873 0.44002 1.00000
I4 I 0.38295 0.79939 0.63099 1.00000
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