La3NdY8
Alexandria ALEXAlex-ID: agm006010232 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C8_361_spg8
NdY2 LaY2
2023-09-13 08:45:31
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006010232).
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 agm006010232
data_agm006010232
_cell_length_a 10.87645
_cell_length_b 7.26196
_cell_length_c 7.26188
_cell_angle_alpha 90.06498
_cell_angle_beta 120.08110
_cell_angle_gamma 120.08317
_cell_volume 404.33676
_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
La1 La 0.66707 0.70867 0.20847 1.00000
La2 La 0.66707 0.20847 0.70867 1.00000
La3 La 0.99896 0.70696 0.70696 1.00000
Nd1 Nd 0.66452 0.70600 0.70600 1.00000
Y1 Y 0.33374 0.20945 0.20946 1.00000
Y2 Y 0.33250 0.70695 0.70695 1.00000
Y3 Y 0.00399 0.71088 0.21175 1.00000
Y4 Y 0.00398 0.21175 0.71088 1.00000
Y5 Y 0.00151 0.20985 0.20985 1.00000
Y6 Y 0.66686 0.20941 0.20940 1.00000
Y7 Y 0.32991 0.70497 0.20665 1.00000
Y8 Y 0.32991 0.20664 0.70497 1.00000
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