Rb5AlPb6
Alexandria ALEXAlex-ID: agm006136170 · 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
AB5C6_8_spg12
Rb4Pb9 Al RbPb
2023-08-17 17:47:27.411463
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006136170).
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 agm006136170
data_agm006136170
_cell_length_a 10.31597
_cell_length_b 8.16353
_cell_length_c 8.02936
_cell_angle_alpha 59.44580
_cell_angle_beta 83.02717
_cell_angle_gamma 76.18492
_cell_volume 565.45578
_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
Pb1 Pb 0.77088 0.85345 0.00000 1.00000
Pb2 Pb 0.77972 0.07083 0.22844 1.00000
Pb3 Pb 0.22027 0.70074 0.22843 1.00000
Pb4 Pb 0.22028 0.92917 0.77156 1.00000
Pb5 Pb 0.77973 0.29926 0.77157 1.00000
Pb6 Pb 0.22912 0.14655 1.00000 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Rb1 Rb 0.50000 0.19624 0.60751 1.00000
Rb2 Rb 0.00000 0.66387 0.67227 1.00000
Rb3 Rb 1.00000 0.33613 0.32773 1.00000
Rb4 Rb 0.50000 0.50000 0.00000 1.00000
Rb5 Rb 0.50000 0.80376 0.39249 1.00000
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