Nd4Dy7Ho
Alexandria ALEXAlex-ID: agm003669987 · 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
AB4C7_85_spg12
NdDy4Ho NdDyHo Nd3Dy5
2022-04-20 12:16:56.750764
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003669987).
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 agm003669987
data_agm003669987
_cell_length_a 5.93505
_cell_length_b 11.70593
_cell_length_c 6.74288
_cell_angle_alpha 83.65873
_cell_angle_beta 63.88989
_cell_angle_gamma 75.31492
_cell_volume 406.91519
_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 0.64085 0.22252 0.49578 1.00000
Nd2 Nd 0.35915 0.77748 0.50422 1.00000
Nd3 Nd 0.77937 0.66537 0.77590 1.00000
Nd4 Nd 0.22063 0.33463 0.22410 1.00000
Dy1 Dy 0.78826 0.92359 0.49989 1.00000
Dy2 Dy 0.21174 0.07641 0.50011 1.00000
Dy3 Dy 0.06978 0.69020 0.17024 1.00000
Dy4 Dy 0.93022 0.30980 0.82976 1.00000
Dy5 Dy 0.36822 0.49449 0.76907 1.00000
Dy6 Dy 0.50000 0.00000 0.00000 1.00000
Dy7 Dy 0.63178 0.50551 0.23093 1.00000
Ho1 Ho 0.00000 0.00000 0.00000 1.00000
获取直接链接