Re8Pb
Alexandria ALEXAlex-ID: agm005503299 · 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 Re
2023-03-19 14:50:18.200228
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005503299).
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 agm005503299
data_agm005503299
_cell_length_a 6.33993
_cell_length_b 6.33993
_cell_length_c 6.33993
_cell_angle_alpha 95.69702
_cell_angle_beta 95.69702
_cell_angle_gamma 143.27012
_cell_volume 144.63839
_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 0.31650 0.68350 0.00000 1.00000
Re2 Re 0.68350 0.31650 0.00000 1.00000
Re3 Re 0.00000 0.34617 0.34617 1.00000
Re4 Re 0.68350 0.68350 0.36700 1.00000
Re5 Re 0.34617 0.00000 0.34617 1.00000
Re6 Re 0.31650 0.31650 0.63300 1.00000
Re7 Re 0.00000 0.65383 0.65383 1.00000
Re8 Re 0.65383 0.00000 0.65383 1.00000
Pb1 Pb 0.00000 0.00000 0.00000 1.00000
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