Co5Pt7
Alexandria ALEXAlex-ID: agm003293147 · 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
A5B7_101_spg12
Co3Pt CoPt2
2022-01-17 05:15:48.397028
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003293147).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm003293147
data_agm003293147
_cell_length_a 4.54598
_cell_length_b 4.21825
_cell_length_c 11.84763
_cell_angle_alpha 112.71857
_cell_angle_beta 90.00000
_cell_angle_gamma 122.60521
_cell_volume 170.08861
_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 0.09084 0.18169 0.42586 1.00000
Co2 Co 0.90916 0.81831 0.57414 1.00000
Co3 Co 0.25112 0.50225 0.24536 1.00000
Co4 Co 0.74888 0.49775 0.75464 1.00000
Co5 Co 0.00000 0.00000 0.00000 1.00000
Pt1 Pt 0.33176 0.66352 0.66515 1.00000
Pt2 Pt 0.66824 0.33648 0.33485 1.00000
Pt3 Pt 0.86093 0.72187 0.18386 1.00000
Pt4 Pt 0.13907 0.27813 0.81614 1.00000
Pt5 Pt 0.59727 0.19453 0.92522 1.00000
Pt6 Pt 0.50000 0.00000 0.50000 1.00000
Pt7 Pt 0.40273 0.80547 0.07478 1.00000
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