Zn5Pt3
Alexandria ALEXAlex-ID: agm009367181 · 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
A3B5_1118_spg5
Zn12Pt7 ZnPt
2024-05-06 02:12:10.024688
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm009367181).
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 agm009367181
data_agm009367181
_cell_length_a 8.59265
_cell_length_b 8.59265
_cell_length_c 8.59265
_cell_angle_alpha 155.61627
_cell_angle_beta 153.45137
_cell_angle_gamma 36.35533
_cell_volume 116.91496
_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 0.37958 0.37958 0.00000 1.00000
Zn2 Zn 0.62042 0.62042 0.00000 1.00000
Zn3 Zn 0.00000 0.50000 0.50000 1.00000
Zn4 Zn 0.74698 0.24698 0.50000 1.00000
Zn5 Zn 0.25302 0.75302 0.50000 1.00000
Pt1 Pt 0.86803 0.86803 0.00000 1.00000
Pt2 Pt 0.50000 0.00000 0.50000 1.00000
Pt3 Pt 0.13197 0.13197 0.00000 1.00000
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