Zn2H5Pb2
Alexandria ALEXAlex-ID: agm007021132 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C5_552_spg12
H6Pb ZnH2 Pb
2024-01-27 21:58:16.842789
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm007021132).
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 agm007021132
data_agm007021132
_cell_length_a 4.96922
_cell_length_b 4.96922
_cell_length_c 9.20942
_cell_angle_alpha 62.07207
_cell_angle_beta 62.07207
_cell_angle_gamma 48.47810
_cell_volume 146.08555
_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 0.15452 0.15452 0.05631 1.00000
Zn2 Zn 0.84548 0.84548 0.94369 1.00000
H1 H 0.28076 0.28076 0.40993 1.00000
H2 H 0.71924 0.71924 0.59007 1.00000
H3 H 0.00295 0.00295 0.27052 1.00000
H4 H 0.99705 0.99705 0.72948 1.00000
H5 H 0.00000 0.00000 0.00000 1.00000
Pb1 Pb 0.25610 0.25610 0.66297 1.00000
Pb2 Pb 0.74390 0.74390 0.33703 1.00000
获取直接链接