Y2ZnNi
Alexandria ALEXAlex-ID: agm005606201 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_141_spg11
YZn YNi
2023-07-13 02:21:02.254389
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606201).
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 agm005606201
data_agm005606201
_cell_length_a 4.41493
_cell_length_b 5.78725
_cell_length_c 7.49316
_cell_angle_alpha 113.73240
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 175.26223
_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
Y1 Y 0.75000 0.20796 0.42890 1.00000
Y2 Y 0.25000 0.79204 0.57110 1.00000
Y3 Y 0.25000 0.76196 0.08189 1.00000
Y4 Y 0.75000 0.23804 0.91811 1.00000
Zn1 Zn 0.25000 0.33746 0.20927 1.00000
Zn2 Zn 0.75000 0.66254 0.79073 1.00000
Ni1 Ni 0.75000 0.62889 0.28913 1.00000
Ni2 Ni 0.25000 0.37111 0.71087 1.00000
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