NbCuAu
Alexandria ALEXAlex-ID: agm005672118 · 空间群: Pmmn (#59)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_10608_spg129
Nb3Au2 Cu NbAu2
2023-06-19 08:39:21.070452
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005672118).
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 agm005672118
data_agm005672118
_cell_length_a 3.73600
_cell_length_b 2.97750
_cell_length_c 8.80194
_cell_angle_alpha 89.99867
_cell_angle_beta 89.99941
_cell_angle_gamma 90.00013
_cell_volume 97.91199
_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 0.74999 0.24999 0.59387 1.00000
Nb2 Nb 0.25001 0.75001 0.40613 1.00000
Cu1 Cu 0.25001 0.75003 0.07230 1.00000
Cu2 Cu 0.74999 0.24997 0.92770 1.00000
Au1 Au 0.75001 0.25003 0.22773 1.00000
Au2 Au 0.24999 0.74997 0.77227 1.00000
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