Cu2Pt4Rh3
Alexandria ALEXAlex-ID: agm005666872 · 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
A2B3C4_298_spg12
CuPt3 PtRh6 CuPt
2023-06-26 23:01:18.485360
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005666872).
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 agm005666872
data_agm005666872
_cell_length_a 3.85930
_cell_length_b 4.72551
_cell_length_c 8.23177
_cell_angle_alpha 73.44844
_cell_angle_beta 90.02113
_cell_angle_gamma 65.90605
_cell_volume 130.19338
_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
Cu1 Cu 0.33132 0.33809 0.77680 1.00000
Cu2 Cu 0.66868 0.66191 0.22320 1.00000
Pt1 Pt 0.66566 0.66876 0.88920 1.00000
Pt2 Pt 0.00079 0.99824 0.33059 1.00000
Pt3 Pt 0.99921 0.00176 0.66941 1.00000
Pt4 Pt 0.33434 0.33124 0.11080 1.00000
Rh1 Rh 0.33418 0.33177 0.45021 1.00000
Rh2 Rh 0.00000 0.00000 0.00000 1.00000
Rh3 Rh 0.66582 0.66823 0.54979 1.00000
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