SiPb8
Alexandria ALEXAlex-ID: agm005503341 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB8_0_spg139
Pb Si
2023-03-19 15:32:45.241576
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005503341).
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 agm005503341
data_agm005503341
_cell_length_a 7.96789
_cell_length_b 7.96789
_cell_length_c 7.96789
_cell_angle_alpha 94.91957
_cell_angle_beta 94.91957
_cell_angle_gamma 145.94349
_cell_volume 270.86769
_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 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.65820 0.34180 0.00000 1.00000
Pb2 Pb 0.34180 0.65820 0.00000 1.00000
Pb3 Pb 0.00000 0.67002 0.67002 1.00000
Pb4 Pb 0.34180 0.34180 0.68360 1.00000
Pb5 Pb 0.67002 0.00000 0.67002 1.00000
Pb6 Pb 0.65820 0.65820 0.31640 1.00000
Pb7 Pb 0.00000 0.32998 0.32998 1.00000
Pb8 Pb 0.32998 0.00000 0.32998 1.00000
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