Ti2Zn3Co2
Alexandria ALEXAlex-ID: agm008964862 · 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
A2B2C3_101_spg12
Ti3Zn3Co2 TiZn3 TiZnCo2
2025-05-09 06:41:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008964862).
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 agm008964862
data_agm008964862
_cell_length_a 4.61123
_cell_length_b 4.61123
_cell_length_c 6.30743
_cell_angle_alpha 72.05155
_cell_angle_beta 107.94845
_cell_angle_gamma 128.93924
_cell_volume 98.04662
_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
Ti1 Ti 0.14677 0.85323 0.29629 1.00000
Ti2 Ti 0.85323 0.14677 0.70371 1.00000
Zn1 Zn 0.50000 0.50000 0.50000 1.00000
Zn2 Zn 0.37177 0.62823 0.06156 1.00000
Zn3 Zn 0.62823 0.37177 0.93844 1.00000
Co1 Co 0.15847 0.84153 0.68242 1.00000
Co2 Co 0.84153 0.15847 0.31758 1.00000
获取直接链接