KSr(SnH4)2
Alexandria ALEXAlex-ID: agm007447913 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D8_37_spg148
KSn3H8 K4Sn23 KH7 SrH2
2024-02-09 06:28:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007447913).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm007447913
data_agm007447913
_cell_length_a 9.08034
_cell_length_b 9.08034
_cell_length_c 9.08034
_cell_angle_alpha 31.44653
_cell_angle_beta 31.44653
_cell_angle_gamma 31.44653
_cell_volume 180.89683
_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 0.50000 0.50000 0.50000 1.00000
Sr1 Sr 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.26128 0.26128 0.26128 1.00000
Sn2 Sn 0.73872 0.73872 0.73872 1.00000
H1 H 0.19180 0.19180 0.19180 1.00000
H2 H 0.65659 0.23660 0.87441 1.00000
H3 H 0.80820 0.80820 0.80820 1.00000
H4 H 0.87441 0.65659 0.23660 1.00000
H5 H 0.12559 0.34341 0.76340 1.00000
H6 H 0.23660 0.87441 0.65659 1.00000
H7 H 0.76340 0.12559 0.34341 1.00000
H8 H 0.34341 0.76340 0.12559 1.00000
获取直接链接