SiH3
Alexandria ALEXAlex-ID: agm097656440 · 空间群: P2_1 (#4)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_6085_spg4
SiH4 Si
2025-04-29 22:28:44
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097656440).
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 agm097656440
data_agm097656440
_cell_length_a 6.00745
_cell_length_b 4.52335
_cell_length_c 7.83834
_cell_angle_alpha 89.98671
_cell_angle_beta 60.39701
_cell_angle_gamma 89.94225
_cell_volume 185.19435
_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
Si1 Si 0.67537 0.90168 0.31129 1.00000
Si2 Si 0.37546 0.16611 0.64933 1.00000
Si3 Si 0.32481 0.40211 0.18877 1.00000
Si4 Si 0.62430 0.66567 0.85051 1.00000
H1 H 0.00436 0.36960 0.96203 1.00000
H2 H 0.95499 0.44957 0.05960 1.00000
H3 H 0.99568 0.86999 0.53801 1.00000
H4 H 0.04531 0.95070 0.44068 1.00000
H5 H 0.66580 0.19807 0.46092 1.00000
H6 H 0.41821 0.83259 0.51706 1.00000
H7 H 0.33419 0.69839 0.03909 1.00000
H8 H 0.58175 0.33236 0.98287 1.00000
H9 H 0.48751 0.97591 0.75960 1.00000
H10 H 0.50890 0.10569 0.25534 1.00000
H11 H 0.51183 0.47584 0.74050 1.00000
H12 H 0.49154 0.60572 0.24441 1.00000
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