Nd(Y3Ni)2
Alexandria ALEXAlex-ID: agm005697520 · 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
Y3Ni Nd
2023-07-08 22:41:09.992455
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005697520).
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 agm005697520
data_agm005697520
_cell_length_a 8.63018
_cell_length_b 8.63018
_cell_length_c 8.63018
_cell_angle_alpha 107.13860
_cell_angle_beta 106.51741
_cell_angle_gamma 114.89831
_cell_volume 491.43412
_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 0.00000 0.50000 0.50000 1.00000
Nd2 Nd 0.00000 0.00000 0.00000 1.00000
Y1 Y 0.49727 0.30523 0.19204 1.00000
Y2 Y 0.50273 0.69477 0.80796 1.00000
Y3 Y 0.88682 0.69477 0.19204 1.00000
Y4 Y 0.11318 0.30523 0.80796 1.00000
Y5 Y 0.22110 0.78016 0.00126 1.00000
Y6 Y 0.77890 0.21984 0.99874 1.00000
Y7 Y 0.77890 0.78016 0.55906 1.00000
Y8 Y 0.22110 0.21984 0.44094 1.00000
Y9 Y 0.30244 0.99177 0.68933 1.00000
Y10 Y 0.69756 0.00823 0.31067 1.00000
Y11 Y 0.69756 0.38689 0.68933 1.00000
Y12 Y 0.30244 0.61311 0.31067 1.00000
Ni1 Ni 0.50000 0.38158 0.88158 1.00000
Ni2 Ni 0.50000 0.61842 0.11842 1.00000
Ni3 Ni 0.37715 0.00000 0.37715 1.00000
Ni4 Ni 0.62285 1.00000 0.62285 1.00000
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