Cu8AgPt4
Alexandria ALEXAlex-ID: agm097980912 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C8_1505_spg6
Cu3Pt Ag CuPt
2025-06-15 03:45:14
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097980912).
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 agm097980912
data_agm097980912
_cell_length_a 4.56583
_cell_length_b 6.07964
_cell_length_c 7.21218
_cell_angle_alpha 115.87982
_cell_angle_beta 96.04792
_cell_angle_gamma 81.77054
_cell_volume 178.06060
_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 0.66085 0.00091 0.16466 1.00000
Cu2 Cu 0.34014 0.61386 0.93088 1.00000
Cu3 Cu 0.71834 0.84972 0.45762 1.00000
Cu4 Cu 0.58304 0.16388 0.84452 1.00000
Cu5 Cu 0.19889 0.91903 0.30449 1.00000
Cu6 Cu 0.49864 0.30114 0.53508 1.00000
Cu7 Cu 0.42448 0.46657 0.23743 1.00000
Cu8 Cu 0.25925 0.76752 0.60255 1.00000
Ag1 Ag 0.78284 0.70340 0.77068 1.00000
Pt1 Pt 0.14505 0.07079 0.99814 1.00000
Pt2 Pt 0.96194 0.38032 0.38379 1.00000
Pt3 Pt 0.87973 0.54458 0.08571 1.00000
Pt4 Pt 0.04679 0.21827 0.68446 1.00000
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