ThZnP2Rh5
Alexandria ALEXAlex-ID: agm005172001 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D5_234_spg123
Zn4Rh3 Th7P12Rh17 Th2PRh6 PRh2
2023-01-17 21:16:12.907356
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005172001).
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 agm005172001
data_agm005172001
_cell_length_a 4.10477
_cell_length_b 4.10477
_cell_length_c 8.35151
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 140.71553
_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
Th1 Th 0.00000 0.00000 0.00000 1.00000
Zn1 Zn 0.00000 0.00000 0.50000 1.00000
P1 P 0.50000 0.50000 0.14689 1.00000
P2 P 0.50000 0.50000 0.85311 1.00000
Rh1 Rh 0.00000 0.50000 0.27798 1.00000
Rh2 Rh 0.50000 0.00000 0.27798 1.00000
Rh3 Rh 0.00000 0.50000 0.72202 1.00000
Rh4 Rh 0.50000 0.00000 0.72202 1.00000
Rh5 Rh 0.50000 0.50000 0.50000 1.00000
