Sr6SiH5
Alexandria ALEXAlex-ID: agm006563751 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB5C6_49_spg12
Sr2Si Sr SrH2
2024-02-28 04:25:28.472759
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006563751).
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 agm006563751
data_agm006563751
_cell_length_a 6.99481
_cell_length_b 6.99481
_cell_length_c 6.98197
_cell_angle_alpha 80.40633
_cell_angle_beta 80.40633
_cell_angle_gamma 119.83349
_cell_volume 279.47883
_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
Sr1 Sr 0.08902 0.44776 0.24512 1.00000
Sr2 Sr 0.55224 0.91098 0.75488 1.00000
Sr3 Sr 0.25973 0.25973 0.77330 1.00000
Sr4 Sr 0.74027 0.74027 0.22670 1.00000
Sr5 Sr 0.44776 0.08902 0.24512 1.00000
Sr6 Sr 0.91098 0.55224 0.75488 1.00000
Si1 Si 0.00000 0.00000 0.50000 1.00000
H1 H 0.16071 0.83929 0.00000 1.00000
H2 H 0.33137 0.66863 0.50000 1.00000
H3 H 0.50000 0.50000 0.00000 1.00000
H4 H 0.66863 0.33137 0.50000 1.00000
H5 H 0.83929 0.16071 0.00000 1.00000
获取直接链接