Ca2AlZn2Rh5
Alexandria ALEXAlex-ID: agm005142011 · 空间群: P4/mbm (#127)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2D5_6_spg127
Ca2ZnRh3 CaZn3Rh2 Al2ZnRh3 CaRh2
2022-07-14 11:49:49.633276
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005142011).
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 agm005142011
data_agm005142011
_cell_length_a 3.28396
_cell_length_b 10.08426
_cell_length_c 10.08426
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 333.95357
_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
Ca1 Ca 0.00000 0.67147 0.17147 1.00000
Ca2 Ca 0.00000 0.32853 0.82853 1.00000
Ca3 Ca 0.00000 0.17147 0.32853 1.00000
Ca4 Ca 0.00000 0.82853 0.67147 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
Al2 Al 0.00000 0.50000 0.50000 1.00000
Zn1 Zn 0.00000 0.13112 0.63112 1.00000
Zn2 Zn 0.00000 0.86888 0.36888 1.00000
Zn3 Zn 0.00000 0.63112 0.86888 1.00000
Zn4 Zn 0.00000 0.36888 0.13112 1.00000
Rh1 Rh 0.50000 0.19133 0.05900 1.00000
Rh2 Rh 0.50000 0.80867 0.94100 1.00000
Rh3 Rh 0.50000 0.05900 0.80867 1.00000
Rh4 Rh 0.50000 0.69133 0.44100 1.00000
Rh5 Rh 0.50000 0.94100 0.19133 1.00000
Rh6 Rh 0.50000 0.30867 0.55900 1.00000
Rh7 Rh 0.50000 0.55900 0.69133 1.00000
Rh8 Rh 0.50000 0.44100 0.30867 1.00000
Rh9 Rh 0.50000 0.50000 0.00000 1.00000
Rh10 Rh 0.50000 0.00000 0.50000 1.00000
获取直接链接