RePb
Alexandria ALEXAlex-ID: agm005456189 · 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
AB_1557_spg8
Pb Re
2023-03-21 18:48:01.051815
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005456189).
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 agm005456189
data_agm005456189
_cell_length_a 4.87910
_cell_length_b 4.87910
_cell_length_c 9.98849
_cell_angle_alpha 71.42712
_cell_angle_beta 71.42712
_cell_angle_gamma 38.12847
_cell_volume 138.22574
_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
Re1 Re 0.63879 0.63879 0.72224 1.00000
Re2 Re 0.95875 0.95875 0.62647 1.00000
Re3 Re 0.31890 0.31890 0.81794 1.00000
Pb1 Pb 0.98297 0.98297 0.98635 1.00000
Pb2 Pb 0.29483 0.29483 0.45808 1.00000
Pb3 Pb 0.63909 0.63909 0.22225 1.00000
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