SiH4
Alexandria ALEXAlex-ID: agm071048434 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4_2289_spg1
SiH4
2024-08-26 06:07:54.364715
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm071048434).
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 agm071048434
data_agm071048434
_cell_length_a 4.31585
_cell_length_b 6.86416
_cell_length_c 6.79287
_cell_angle_alpha 64.66149
_cell_angle_beta 80.83357
_cell_angle_gamma 80.63173
_cell_volume 178.54188
_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 0.49138 0.40628 0.30461 1.00000
Si2 Si 0.26029 0.09185 0.97698 1.00000
Si3 Si 0.86791 0.75616 0.65824 1.00000
H1 H 0.01904 0.20726 0.08424 1.00000
H2 H 0.45087 0.25295 0.79581 1.00000
H3 H 0.63368 0.87740 0.76273 1.00000
H4 H 0.08849 0.60687 0.81931 1.00000
H5 H 0.46252 0.49875 0.06497 1.00000
H6 H 0.82158 0.40758 0.34183 1.00000
H7 H 0.27505 0.54182 0.40216 1.00000
H8 H 0.40465 0.18015 0.40793 1.00000
H9 H 0.69684 0.63064 0.58571 1.00000
H10 H 0.04645 0.91473 0.46633 1.00000
H11 H 0.47215 0.93290 0.14032 1.00000
H12 H 0.09368 0.97724 0.88883 1.00000
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