Nd2AlAu5
Alexandria ALEXAlex-ID: agm003479110 · 空间群: I4mm (#107)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_25_spg107
Nd3Al3Au8 Nd17Au36 Nd14Au51
2022-02-20 08:55:19.701126
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003479110).
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 agm003479110
data_agm003479110
_cell_length_a 6.34796
_cell_length_b 6.34796
_cell_length_c 6.34796
_cell_angle_alpha 92.81260
_cell_angle_beta 118.38965
_cell_angle_gamma 118.38965
_cell_volume 185.04067
_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
Nd1 Nd 0.50000 0.24961 0.74961 1.00000
Nd2 Nd 0.50000 0.74961 0.24961 1.00000
Al1 Al 1.00000 0.95962 0.95962 1.00000
Au1 Au 0.44515 0.72444 0.72444 1.00000
Au2 Au 1.00000 0.72444 0.27929 1.00000
Au3 Au 1.00000 0.27929 0.72444 1.00000
Au4 Au 0.55485 0.27929 0.27929 1.00000
Au5 Au 0.00000 0.25578 0.25578 1.00000
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