Co7(PdPt)2
Alexandria ALEXAlex-ID: agm005570565 · 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
A2B2C7_236_spg12
CoPd3 Co3Pt Co
2023-06-04 06:10:46.119640
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005570565).
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 agm005570565
data_agm005570565
_cell_length_a 5.95768
_cell_length_b 4.56418
_cell_length_c 5.95769
_cell_angle_alpha 109.47010
_cell_angle_beta 87.93275
_cell_angle_gamma 109.47010
_cell_volume 143.48897
_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 0.06821 0.33279 0.58988 1.00000
Co2 Co 0.41012 0.66721 0.93179 1.00000
Co3 Co 0.93179 0.66721 0.41012 1.00000
Co4 Co 0.58988 0.33279 0.06821 1.00000
Co5 Co 0.00000 0.50000 0.00000 1.00000
Co6 Co 0.25368 0.04771 0.25368 1.00000
Co7 Co 0.74632 0.95229 0.74632 1.00000
Pd1 Pd 0.60359 0.32872 0.60359 1.00000
Pd2 Pd 0.39641 0.67128 0.39641 1.00000
Pt1 Pt 0.81448 1.00000 0.18552 1.00000
Pt2 Pt 0.18552 0.00000 0.81448 1.00000
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