Nd6AlCu2
Alexandria ALEXAlex-ID: agm005802263 · 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
AB2C6_798_spg71
NdAl Nd NdCu
2023-07-06 11:16:36.293757
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802263).
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 agm005802263
data_agm005802263
_cell_length_a 8.72602
_cell_length_b 8.72602
_cell_length_c 8.72602
_cell_angle_alpha 107.28319
_cell_angle_beta 108.41781
_cell_angle_gamma 112.76555
_cell_volume 510.15466
_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 0.54314 0.72508 0.81806 1.00000
Nd2 Nd 0.45686 0.27492 0.18194 1.00000
Nd3 Nd 0.09298 0.27492 0.81806 1.00000
Nd4 Nd 0.90702 0.72508 0.18194 1.00000
Nd5 Nd 0.80549 0.75876 0.56426 1.00000
Nd6 Nd 0.19451 0.24124 0.43574 1.00000
Nd7 Nd 0.19451 0.75876 0.95327 1.00000
Nd8 Nd 0.80549 0.24124 0.04673 1.00000
Nd9 Nd 0.70302 0.37997 0.67695 1.00000
Nd10 Nd 0.29698 0.62003 0.32305 1.00000
Nd11 Nd 0.29698 0.97393 0.67695 1.00000
Nd12 Nd 0.70302 0.02607 0.32305 1.00000
Al1 Al 0.00000 0.50000 0.50000 1.00000
Al2 Al 0.00000 0.00000 0.00000 1.00000
Cu1 Cu 0.50000 0.38139 0.88139 1.00000
Cu2 Cu 0.50000 0.61861 0.11861 1.00000
Cu3 Cu 0.64634 1.00000 0.64634 1.00000
Cu4 Cu 0.35366 0.00000 0.35366 1.00000
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