Nd2Y7Ho3
Alexandria ALEXAlex-ID: agm005602292 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C7_118_spg65
NdY2 Nd2Ho7 Y5Ho
2023-06-13 18:36:35.095515
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005602292).
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 agm005602292
data_agm005602292
_cell_length_a 3.60896
_cell_length_b 5.84945
_cell_length_c 19.13723
_cell_angle_alpha 98.79079
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 399.24973
_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 0.82475 0.64951 1.00000
Nd2 Nd 0.00000 0.17525 0.35049 1.00000
Y1 Y 0.00000 0.42824 0.85647 1.00000
Y2 Y 0.00000 0.72838 0.45675 1.00000
Y3 Y 0.00000 0.00000 0.00000 1.00000
Y4 Y 0.00000 0.57176 0.14353 1.00000
Y5 Y 0.50000 0.08859 0.17718 1.00000
Y6 Y 0.50000 0.91141 0.82282 1.00000
Y7 Y 0.00000 0.27162 0.54325 1.00000
Ho1 Ho 0.50000 0.50000 0.00000 1.00000
Ho2 Ho 0.50000 0.64870 0.29739 1.00000
Ho3 Ho 0.50000 0.35130 0.70261 1.00000
获取直接链接