Rb2Al15Zn2
Alexandria ALEXAlex-ID: agm009093327 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C15_32_spg166
Al6Zn Rb Al
2024-03-10 00:21:49.203910
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009093327).
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 agm009093327
data_agm009093327
_cell_length_a 7.28257
_cell_length_b 7.28257
_cell_length_c 7.28257
_cell_angle_alpha 83.68204
_cell_angle_beta 83.68204
_cell_angle_gamma 83.68204
_cell_volume 379.68090
_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
Rb1 Rb 0.65917 0.65917 0.65917 1.00000
Rb2 Rb 0.34083 0.34083 0.34083 1.00000
Al1 Al 0.00000 0.50000 0.00000 1.00000
Al2 Al 0.00000 0.00000 0.50000 1.00000
Al3 Al 0.50000 0.00000 0.00000 1.00000
Al4 Al 0.28680 0.00000 0.71320 1.00000
Al5 Al 0.71320 0.28680 0.00000 1.00000
Al6 Al 0.00000 0.71320 0.28680 1.00000
Al7 Al 0.28680 0.71320 0.00000 1.00000
Al8 Al 0.00000 0.28680 0.71320 1.00000
Al9 Al 0.71320 0.00000 0.28680 1.00000
Al10 Al 0.34449 0.84765 0.34449 1.00000
Al11 Al 0.34449 0.34449 0.84765 1.00000
Al12 Al 0.84765 0.34449 0.34449 1.00000
Al13 Al 0.65551 0.15235 0.65551 1.00000
Al14 Al 0.65551 0.65551 0.15235 1.00000
Al15 Al 0.15235 0.65551 0.65551 1.00000
Zn1 Zn 0.90413 0.90413 0.90413 1.00000
Zn2 Zn 0.09587 0.09587 0.09587 1.00000
获取直接链接