NdY3Zn
Alexandria ALEXAlex-ID: agm005774765 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_2678_spg12
NdY2 Y2Zn Nd
2023-07-06 08:02:51.117575
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005774765).
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 agm005774765
data_agm005774765
_cell_length_a 3.66987
_cell_length_b 6.33871
_cell_length_c 13.70266
_cell_angle_alpha 105.62649
_cell_angle_beta 97.69563
_cell_angle_gamma 90.00001
_cell_volume 303.99055
_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 0.77074 0.76646 0.54148 1.00000
Nd2 Nd 0.22926 0.23354 0.45852 1.00000
Y1 Y 0.01062 0.25454 0.02123 1.00000
Y2 Y 0.98938 0.74546 0.97877 1.00000
Y3 Y 0.39356 0.90840 0.78712 1.00000
Y4 Y 0.60644 0.09160 0.21288 1.00000
Y5 Y 0.14977 0.62231 0.29955 1.00000
Y6 Y 0.85023 0.37769 0.70045 1.00000
Zn1 Zn 0.56428 0.59426 0.12856 1.00000
Zn2 Zn 0.43572 0.40574 0.87144 1.00000
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