CdSn4Rh7
Alexandria ALEXAlex-ID: agm003665588 · 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
AB4C7_87_spg12
Sn3Rh5 Cd2SnRh3 SnRh
2022-04-20 13:50:32.919482
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003665588).
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 agm003665588
data_agm003665588
_cell_length_a 4.79903
_cell_length_b 7.98369
_cell_length_c 6.57150
_cell_angle_alpha 79.41228
_cell_angle_beta 68.58383
_cell_angle_gamma 72.50924
_cell_volume 222.78044
_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
Cd1 Cd 0.00000 0.00000 0.00000 1.00000
Sn1 Sn 0.58255 0.21604 0.61885 1.00000
Sn2 Sn 0.41745 0.78396 0.38115 1.00000
Sn3 Sn 0.72200 0.66492 0.89108 1.00000
Sn4 Sn 0.27800 0.33508 0.10892 1.00000
Rh1 Rh 0.79080 0.87720 0.54120 1.00000
Rh2 Rh 0.20920 0.12280 0.45880 1.00000
Rh3 Rh 0.07673 0.67078 0.17576 1.00000
Rh4 Rh 0.92327 0.32922 0.82424 1.00000
Rh5 Rh 0.36055 0.55271 0.72619 1.00000
Rh6 Rh 0.50000 0.00000 0.00000 1.00000
Rh7 Rh 0.63945 0.44729 0.27381 1.00000
获取直接链接