Zn5Co3
Alexandria ALEXAlex-ID: agm005535458 · 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
A3B5_16_spg69
Zn11Co2 Co
2023-05-27 22:50:13.934426
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005535458).
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 agm005535458
data_agm005535458
_cell_length_a 4.47750
_cell_length_b 4.47750
_cell_length_c 5.88637
_cell_angle_alpha 105.10744
_cell_angle_beta 105.10744
_cell_angle_gamma 108.34408
_cell_volume 100.29712
_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 0.62877 0.12877 0.25753 1.00000
Zn2 Zn 0.00000 0.00000 0.00000 1.00000
Zn3 Zn 0.37123 0.87123 0.74247 1.00000
Zn4 Zn 0.12877 0.62877 0.25753 1.00000
Zn5 Zn 0.87123 0.37123 0.74247 1.00000
Co1 Co 0.74587 0.74587 0.49174 1.00000
Co2 Co 0.50000 0.50000 0.00000 1.00000
Co3 Co 0.25413 0.25413 0.50826 1.00000
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