Co2Pt7
Alexandria ALEXAlex-ID: agm015231908 · 空间群: Fmmm (#69)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B7_153_spg69
CoPt2 Pt
2025-02-27 04:04:06
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm015231908).
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 agm015231908
data_agm015231908
_cell_length_a 8.29584
_cell_length_b 6.18494
_cell_length_c 6.16923
_cell_angle_alpha 84.36590
_cell_angle_beta 47.89743
_cell_angle_gamma 47.73666
_cell_volume 133.19952
_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
Co1 Co 0.17253 0.17253 0.82747 1.00000
Co2 Co 0.82747 0.82747 0.17253 1.00000
Pt1 Pt 0.51007 0.82824 0.17176 1.00000
Pt2 Pt 0.17176 0.48993 0.51007 1.00000
Pt3 Pt 0.82824 0.51007 0.48993 1.00000
Pt4 Pt 0.16387 0.83613 0.16387 1.00000
Pt5 Pt 0.83613 0.16387 0.83613 1.00000
Pt6 Pt 0.48993 0.17176 0.82824 1.00000
Pt7 Pt 0.50000 0.50000 0.50000 1.00000
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