Nd3Al9Zn2
Alexandria ALEXAlex-ID: agm005605437 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C9_15_spg71
NdAl3 Nd(AlZn)2 Al
2023-06-13 22:03:40.292073
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005605437).
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 agm005605437
data_agm005605437
_cell_length_a 4.35300
_cell_length_b 8.42923
_cell_length_c 8.42923
_cell_angle_alpha 74.32976
_cell_angle_beta 75.03620
_cell_angle_gamma 75.03620
_cell_volume 281.72785
_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 0.00000 0.00000 0.00000 1.00000
Nd2 Nd 0.68183 0.31817 0.31817 1.00000
Nd3 Nd 0.31817 0.68183 0.68183 1.00000
Al1 Al 0.00000 0.50000 0.50000 1.00000
Al2 Al 0.66262 0.96670 0.70807 1.00000
Al3 Al 0.33738 0.03330 0.29193 1.00000
Al4 Al 0.66262 0.70807 0.96670 1.00000
Al5 Al 0.33738 0.29193 0.03330 1.00000
Al6 Al 0.86465 0.85936 0.41135 1.00000
Al7 Al 0.13535 0.14064 0.58865 1.00000
Al8 Al 0.86465 0.41135 0.85936 1.00000
Al9 Al 0.13535 0.58865 0.14064 1.00000
Zn1 Zn 0.50000 0.28339 0.71661 1.00000
Zn2 Zn 0.50000 0.71661 0.28339 1.00000
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