ZrCo5Tc
Alexandria ALEXAlex-ID: agm005778658 · 空间群: Pnma (#62)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC5_91_spg62
CoTc Zr6Co23 Co
2023-07-14 00:43:39.232711
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005778658).
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 agm005778658
data_agm005778658
_cell_length_a 4.71918
_cell_length_b 7.76591
_cell_length_c 9.69064
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 355.14948
_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
Zr1 Zr 0.25000 0.25252 0.94122 1.00000
Zr2 Zr 0.75000 0.24748 0.44122 1.00000
Zr3 Zr 0.25000 0.75252 0.55878 1.00000
Zr4 Zr 0.75000 0.74748 0.05878 1.00000
Co1 Co 0.25000 0.59571 0.02122 1.00000
Co2 Co 0.75000 0.90429 0.52122 1.00000
Co3 Co 0.25000 0.09571 0.47878 1.00000
Co4 Co 0.75000 0.40429 0.97878 1.00000
Co5 Co 0.75000 0.31566 0.74388 1.00000
Co6 Co 0.25000 0.18434 0.24388 1.00000
Co7 Co 0.75000 0.81566 0.75612 1.00000
Co8 Co 0.25000 0.68434 0.25612 1.00000
Co9 Co 0.25000 0.94688 0.08373 1.00000
Co10 Co 0.75000 0.55312 0.58373 1.00000
Co11 Co 0.25000 0.44688 0.41627 1.00000
Co12 Co 0.75000 0.05312 0.91627 1.00000
Co13 Co 0.99495 0.42964 0.19455 1.00000
Co14 Co 0.00505 0.07036 0.69455 1.00000
Co15 Co 0.50505 0.92964 0.30545 1.00000
Co16 Co 0.49495 0.57036 0.80545 1.00000
Co17 Co 0.00505 0.57036 0.80545 1.00000
Co18 Co 0.99495 0.92964 0.30545 1.00000
Co19 Co 0.49495 0.07036 0.69455 1.00000
Co20 Co 0.50505 0.42964 0.19455 1.00000
Tc1 Tc 0.25000 0.86195 0.85108 1.00000
Tc2 Tc 0.75000 0.63805 0.35108 1.00000
Tc3 Tc 0.25000 0.36195 0.64892 1.00000
Tc4 Tc 0.75000 0.13805 0.14892 1.00000
