Te3Rh2Cl
Alexandria ALEXAlex-ID: agm005692006 · 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
AB2C3_986_spg12
TeRhCl Te2Rh
2023-08-17 07:48:25.157379
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005692006).
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 agm005692006
data_agm005692006
_cell_length_a 3.78303
_cell_length_b 8.52361
_cell_length_c 10.12851
_cell_angle_alpha 83.28299
_cell_angle_beta 79.23673
_cell_angle_gamma 77.17847
_cell_volume 311.87499
_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
Te1 Te 0.06191 0.06078 0.81541 1.00000
Te2 Te 0.93809 0.93922 0.18459 1.00000
Te3 Te 0.69011 0.67127 0.94851 1.00000
Te4 Te 0.30989 0.32873 0.05149 1.00000
Te5 Te 0.80575 0.83062 0.55787 1.00000
Te6 Te 0.19425 0.16938 0.44213 1.00000
Rh1 Rh 0.87880 0.36748 0.87492 1.00000
Rh2 Rh 0.12120 0.63252 0.12508 1.00000
Rh3 Rh 0.62420 0.12100 0.63060 1.00000
Rh4 Rh 0.37580 0.87900 0.36940 1.00000
Cl1 Cl 0.44310 0.41484 0.69896 1.00000
Cl2 Cl 0.55690 0.58516 0.30104 1.00000
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