Zn2(CuPt)3
Alexandria ALEXAlex-ID: agm009484353 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_1478_spg71
Zn5CuPt6 ZnCu5Pt2 Cu3Pt
2024-05-09 14:13:04.223335
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009484353).
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}
}
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# CIF generated by HEAS from Alexandria entry agm009484353
data_agm009484353
_cell_length_a 8.08377
_cell_length_b 8.08377
_cell_length_c 8.08377
_cell_angle_alpha 153.19206
_cell_angle_beta 152.03839
_cell_angle_gamma 39.12372
_cell_volume 111.51020
_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 0.75153 0.25153 0.50000 1.00000
Zn2 Zn 0.24847 0.74847 0.50000 1.00000
Cu1 Cu 0.87637 0.87637 0.00000 1.00000
Cu2 Cu 0.50000 0.00000 0.50000 1.00000
Cu3 Cu 0.12363 0.12363 0.00000 1.00000
Pt1 Pt 0.36896 0.36896 0.00000 1.00000
Pt2 Pt 0.63104 0.63104 0.00000 1.00000
Pt3 Pt 0.00000 0.50000 0.50000 1.00000
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