Nd5Y5Sc
Alexandria ALEXAlex-ID: agm003672855 · 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
AB5C5_33_spg71
NdYSc6 Nd NdY2
2022-04-09 17:08:51.621752
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003672855).
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 agm003672855
data_agm003672855
_cell_length_a 6.03645
_cell_length_b 9.85596
_cell_length_c 6.95317
_cell_angle_alpha 108.66093
_cell_angle_beta 90.00000
_cell_angle_gamma 107.83237
_cell_volume 370.89308
_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 0.67438 0.34876 0.18668 1.00000
Nd2 Nd 0.62688 0.25376 0.64041 1.00000
Nd3 Nd 0.00000 0.00000 0.50000 1.00000
Nd4 Nd 0.37312 0.74624 0.35959 1.00000
Nd5 Nd 0.32562 0.65124 0.81332 1.00000
Y1 Y 0.82828 0.65656 0.07740 1.00000
Y2 Y 0.82561 0.65122 0.58772 1.00000
Y3 Y 0.50000 0.00000 0.00000 1.00000
Y4 Y 0.17439 0.34878 0.41228 1.00000
Y5 Y 0.17172 0.34344 0.92260 1.00000
Sc1 Sc 0.00000 0.00000 0.00000 1.00000
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