Al2Co3B2
Alexandria ALEXAlex-ID: agm002136708 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_6_spg65
CoB AlCo B
2018-05-27 02:14:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002136708).
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 agm002136708
data_agm002136708
_cell_length_a 2.79008
_cell_length_b 2.92476
_cell_length_c 8.56587
_cell_angle_alpha 99.82977
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 68.87389
_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
B1 B 0.50000 0.72094 0.44187 1.00000
B2 B 0.50000 0.27906 0.55813 1.00000
Co1 Co 0.00000 0.81614 0.63229 1.00000
Co2 Co 0.00000 0.00000 0.00000 1.00000
Co3 Co 0.00000 0.18386 0.36771 1.00000
Al1 Al 0.50000 0.58395 0.16789 1.00000
Al2 Al 0.50000 0.41605 0.83211 1.00000
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