YAl4Cu2Ni
Alexandria ALEXAlex-ID: agm004792259 · 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
ABC2D4_337_spg166
Al3Ni2 Al4Ni3 Y4(Al8Ni3)3 Y2(AlCu)5
2023-01-21 14:45:52.953780
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004792259).
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 agm004792259
data_agm004792259
_cell_length_a 4.14799
_cell_length_b 4.14799
_cell_length_c 8.94057
_cell_angle_alpha 76.58657
_cell_angle_beta 76.58657
_cell_angle_gamma 60.00000
_cell_volume 128.35248
_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
Y1 Y 0.00000 0.00000 0.00000 1.00000
Al1 Al 0.40584 0.40584 0.78248 1.00000
Al2 Al 0.86637 0.86637 0.40089 1.00000
Al3 Al 0.13363 0.13363 0.59911 1.00000
Al4 Al 0.59416 0.59416 0.21752 1.00000
Cu1 Cu 0.76279 0.76279 0.71164 1.00000
Cu2 Cu 0.23721 0.23721 0.28836 1.00000
Ni1 Ni 0.50000 0.50000 0.50000 1.00000
