Zn(TeRh)2
Alexandria ALEXAlex-ID: agm002246762 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_422_spg15
Zn5TeRh6 ZnTe Te2Rh
2018-07-14 09:16:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002246762).
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
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# CIF generated by HEAS from Alexandria entry agm002246762
data_agm002246762
_cell_length_a 5.12599
_cell_length_b 6.85616
_cell_length_c 7.50780
_cell_angle_alpha 117.17910
_cell_angle_beta 119.37879
_cell_angle_gamma 89.99761
_cell_volume 195.80843
_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
Zn1 Zn 0.75006 0.94443 0.00007 1.00000
Zn2 Zn 0.24995 0.05557 0.99993 1.00000
Te1 Te 0.39197 0.09528 0.68799 1.00000
Te2 Te 0.60803 0.90472 0.31201 1.00000
Te3 Te 0.10809 0.40733 0.31206 1.00000
Te4 Te 0.89191 0.59267 0.68794 1.00000
Rh1 Rh 0.55654 0.48780 0.22849 1.00000
Rh2 Rh 0.94352 0.25935 0.77153 1.00000
Rh3 Rh 0.05649 0.74065 0.22847 1.00000
Rh4 Rh 0.44346 0.51220 0.77151 1.00000
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