Al3CoTc
Alexandria ALEXAlex-ID: agm013369728 · 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
ABC3_379_spg2
Al2Tc AlCo
2024-05-28 06:13:38.223388
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm013369728).
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 agm013369728
data_agm013369728
_cell_length_a 7.50329
_cell_length_b 7.50329
_cell_length_c 6.05531
_cell_angle_alpha 78.35506
_cell_angle_beta 78.35506
_cell_angle_gamma 23.72253
_cell_volume 134.20199
_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
Al1 Al 0.31247 0.31247 0.35839 1.00000
Al2 Al 0.68753 0.68753 0.64161 1.00000
Al3 Al 0.49859 0.49859 0.74059 1.00000
Al4 Al 0.69568 0.69568 0.16341 1.00000
Al5 Al 0.50141 0.50141 0.25941 1.00000
Al6 Al 0.30432 0.30432 0.83659 1.00000
Co1 Co 0.10082 0.10082 0.44795 1.00000
Co2 Co 0.89918 0.89918 0.55205 1.00000
Tc1 Tc 0.89570 0.89570 0.05162 1.00000
Tc2 Tc 0.10430 0.10430 0.94838 1.00000
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