AlCo3
Alexandria ALEXAlex-ID: agm010200913 · 空间群: P6_3/mmc (#194)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_5_spg194
AlCo Co
2025-04-06 12:18:01
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010200913).
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 agm010200913
data_agm010200913
_cell_length_a 5.05609
_cell_length_b 5.05609
_cell_length_c 8.26490
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 182.97753
_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 0.00000 0.00000 0.00000 1.00000
Al2 Al 0.00000 0.00000 0.50000 1.00000
Al3 Al 0.33333 0.66667 0.25000 1.00000
Al4 Al 0.66667 0.33333 0.75000 1.00000
Co1 Co 0.00000 0.50000 0.00000 1.00000
Co2 Co 0.00000 0.50000 0.50000 1.00000
Co3 Co 0.16756 0.33512 0.75000 1.00000
Co4 Co 0.16756 0.83244 0.75000 1.00000
Co5 Co 0.33512 0.16756 0.25000 1.00000
Co6 Co 0.50000 0.00000 0.00000 1.00000
Co7 Co 0.50000 0.00000 0.50000 1.00000
Co8 Co 0.50000 0.50000 0.00000 1.00000
Co9 Co 0.50000 0.50000 0.50000 1.00000
Co10 Co 0.66488 0.83244 0.75000 1.00000
Co11 Co 0.83244 0.16756 0.25000 1.00000
Co12 Co 0.83244 0.66488 0.25000 1.00000
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