Nd3Zn8Cu
Alexandria ALEXAlex-ID: agm003585657 · 空间群: R3m (#160)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_193_spg160
NdZn3Cu2 NdZn2 NdZn3
2022-04-03 11:21:30.040664
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003585657).
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 agm003585657
data_agm003585657
_cell_length_a 5.47924
_cell_length_b 5.47924
_cell_length_c 9.50724
_cell_angle_alpha 73.25207
_cell_angle_beta 73.25207
_cell_angle_gamma 60.00000
_cell_volume 233.10215
_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 0.37824 0.37824 0.86528 1.00000
Nd2 Nd 0.99011 0.99011 0.02968 1.00000
Nd3 Nd 0.50598 0.50598 0.48206 1.00000
Zn1 Zn 0.93504 0.43863 0.18769 1.00000
Zn2 Zn 0.44045 0.94040 0.67875 1.00000
Zn3 Zn 0.43863 0.43863 0.18769 1.00000
Zn4 Zn 0.94040 0.94040 0.67875 1.00000
Zn5 Zn 0.18964 0.18964 0.43109 1.00000
Zn6 Zn 0.68890 0.68890 0.93331 1.00000
Zn7 Zn 0.43863 0.93504 0.18769 1.00000
Zn8 Zn 0.94040 0.44045 0.67875 1.00000
Cu1 Cu 0.86359 0.86359 0.40924 1.00000
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