ZnCu2Rh
Alexandria ALEXAlex-ID: agm005652682 · 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
ABC2_4728_spg8
Cu ZnRh
2023-07-12 00:12:21.723822
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005652682).
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 agm005652682
data_agm005652682
_cell_length_a 3.80475
_cell_length_b 4.60132
_cell_length_c 6.93758
_cell_angle_alpha 91.27488
_cell_angle_beta 105.97993
_cell_angle_gamma 114.55012
_cell_volume 104.90229
_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 0.05904 0.42518 0.19229 1.00000
Zn2 Zn 0.94096 0.57482 0.80771 1.00000
Cu1 Cu 0.81349 0.69110 0.43638 1.00000
Cu2 Cu 0.18651 0.30890 0.56362 1.00000
Cu3 Cu 0.31675 0.19735 0.93504 1.00000
Cu4 Cu 0.68325 0.80265 0.06496 1.00000
Rh1 Rh 0.43210 0.05766 0.30740 1.00000
Rh2 Rh 0.56790 0.94234 0.69260 1.00000
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