Li6SnRh2
Alexandria ALEXAlex-ID: agm005773217 · 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
AB2C6_648_spg12
LiSnRh2 Li17Sn4 Li2Rh
2023-07-08 13:04:02.154681
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005773217).
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 agm005773217
data_agm005773217
_cell_length_a 5.14340
_cell_length_b 6.86608
_cell_length_c 6.86608
_cell_angle_alpha 67.78773
_cell_angle_beta 48.06867
_cell_angle_gamma 48.06867
_cell_volume 133.16772
_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
Li1 Li 0.84989 0.49986 0.82491 1.00000
Li2 Li 0.15011 0.17509 0.50014 1.00000
Li3 Li 0.15011 0.50014 0.17509 1.00000
Li4 Li 0.50000 0.17517 0.82483 1.00000
Li5 Li 0.84989 0.82491 0.49986 1.00000
Li6 Li 0.50000 0.82483 0.17517 1.00000
Sn1 Sn 0.00000 0.00000 0.00000 1.00000
Rh1 Rh 0.33269 0.66525 0.66525 1.00000
Rh2 Rh 0.66731 0.33475 0.33475 1.00000
