Zn2Si2H5
Alexandria ALEXAlex-ID: agm007179533 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_501_spg12
SiH4 Zn Si
2024-01-27 21:26:51.625166
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007179533).
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 agm007179533
data_agm007179533
_cell_length_a 2.67911
_cell_length_b 5.32388
_cell_length_c 8.93801
_cell_angle_alpha 79.29343
_cell_angle_beta 84.18384
_cell_angle_gamma 75.82369
_cell_volume 121.24217
_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
Zn1 Zn 0.95821 0.95923 0.19071 1.00000
Zn2 Zn 0.04179 0.04077 0.80929 1.00000
Si1 Si 0.73910 0.71411 0.70026 1.00000
Si2 Si 0.26090 0.28589 0.29974 1.00000
H1 H 0.78009 0.74779 0.52954 1.00000
H2 H 0.21991 0.25221 0.47046 1.00000
H3 H 0.12956 0.59548 0.23833 1.00000
H4 H 0.87044 0.40452 0.76167 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
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