NaSiH8
Alexandria ALEXAlex-ID: agm091888959 · 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
ABC8_442_spg1
SiH4 SiH20 NaH
2025-05-28 04:11:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm091888959).
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 agm091888959
data_agm091888959
_cell_length_a 5.16225
_cell_length_b 7.09578
_cell_length_c 5.85639
_cell_angle_alpha 100.16864
_cell_angle_beta 104.74267
_cell_angle_gamma 84.52360
_cell_volume 203.91219
_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
Na1 Na 0.20093 0.79187 0.35759 1.00000
Na2 Na 0.80126 0.21473 0.64967 1.00000
Si1 Si 0.75882 0.99439 0.02622 1.00000
Si2 Si 0.25236 0.01116 0.98203 1.00000
H1 H 0.47994 0.47979 0.42805 1.00000
H2 H 0.51482 0.52011 0.56391 1.00000
H3 H 0.97864 0.47738 0.42772 1.00000
H4 H 0.01660 0.51628 0.56305 1.00000
H5 H 0.79883 0.78668 0.07426 1.00000
H6 H 0.20873 0.21365 0.91664 1.00000
H7 H 0.83370 0.08814 0.29096 1.00000
H8 H 0.18329 0.90243 0.72383 1.00000
H9 H 0.26603 0.51684 0.05681 1.00000
H10 H 0.75307 0.41699 0.03029 1.00000
H11 H 0.32447 0.17329 0.43787 1.00000
H12 H 0.68484 0.82305 0.56493 1.00000
H13 H 0.22196 0.58547 0.96443 1.00000
H14 H 0.71609 0.48687 0.93883 1.00000
H15 H 0.33335 0.18568 0.57264 1.00000
H16 H 0.67227 0.81521 0.43026 1.00000
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