Li(Nd3Zn4)2
Alexandria ALEXAlex-ID: agm073000873 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB6C8_75_spg148
NdZn NdZn2 Li
2024-10-11 10:20:43.863064
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm073000873).
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 agm073000873
data_agm073000873
_cell_length_a 6.84524
_cell_length_b 7.96523
_cell_length_c 7.96736
_cell_angle_alpha 112.12997
_cell_angle_beta 106.61020
_cell_angle_gamma 106.68037
_cell_volume 345.39683
_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
Li1 Li 0.00000 0.00000 0.00000 1.00000
Nd1 Nd 0.69705 0.27913 0.83887 1.00000
Nd2 Nd 0.41758 0.55889 0.72079 1.00000
Nd3 Nd 0.85792 0.16198 0.44118 1.00000
Nd4 Nd 0.30295 0.72087 0.16113 1.00000
Nd5 Nd 0.58242 0.44111 0.27921 1.00000
Nd6 Nd 0.14208 0.83802 0.55882 1.00000
Zn1 Zn 0.67135 0.99962 0.00047 1.00000
Zn2 Zn 0.32865 0.00038 0.99953 1.00000
Zn3 Zn 0.71005 0.87295 0.63176 1.00000
Zn4 Zn 0.83643 0.75890 0.12743 1.00000
Zn5 Zn 0.07815 0.36838 0.24153 1.00000
Zn6 Zn 0.28995 0.12705 0.36824 1.00000
Zn7 Zn 0.16357 0.24110 0.87257 1.00000
Zn8 Zn 0.92185 0.63162 0.75847 1.00000
获取直接链接