Rb(MgSn3)2
Alexandria ALEXAlex-ID: agm005641874 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_319_spg71
Rb3Mg18Sn11 Rb4Sn23 Mg2Sn
2023-07-08 15:29:24.585072
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005641874).
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 agm005641874
data_agm005641874
_cell_length_a 4.58742
_cell_length_b 8.62940
_cell_length_c 8.62940
_cell_angle_alpha 60.52374
_cell_angle_beta 75.14226
_cell_angle_gamma 75.14224
_cell_volume 283.98345
_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 0.00000 0.00000 0.00000 1.00000
Mg1 Mg 0.89399 0.60946 0.60946 1.00000
Mg2 Mg 0.10601 0.39054 0.39054 1.00000
Sn1 Sn 0.70117 0.98045 0.62016 1.00000
Sn2 Sn 0.29883 0.01955 0.37984 1.00000
Sn3 Sn 0.29883 0.37984 0.01955 1.00000
Sn4 Sn 0.50000 0.67097 0.32903 1.00000
Sn5 Sn 0.50000 0.32903 0.67097 1.00000
Sn6 Sn 0.70117 0.62016 0.98045 1.00000
获取直接链接