Nb2Al3Co
Alexandria ALEXAlex-ID: agm033357946 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1900_spg8
Nb2Al3Co
2024-12-15 22:37:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm033357946).
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 agm033357946
data_agm033357946
_cell_length_a 4.91769
_cell_length_b 4.91769
_cell_length_c 4.91769
_cell_angle_alpha 63.03890
_cell_angle_beta 63.03890
_cell_angle_gamma 63.03890
_cell_volume 89.76643
_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
Nb1 Nb 0.37864 0.37864 0.37864 1.00000
Nb2 Nb 0.62136 0.62136 0.62136 1.00000
Al1 Al 0.50000 0.00000 0.00000 1.00000
Al2 Al 0.00000 0.00000 0.50000 1.00000
Al3 Al 0.00000 0.50000 0.00000 1.00000
Co1 Co 0.00000 0.00000 0.00000 1.00000
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