Nd2YHo4Mg
Alexandria ALEXAlex-ID: agm004855693 · 空间群: P4/mmm (#123)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_443_spg123
NdHo2 YHoMg Nd3(YHo2)2 NdYMg2
2022-07-17 04:49:14.478109
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004855693).
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 agm004855693
data_agm004855693
_cell_length_a 4.97489
_cell_length_b 4.98730
_cell_length_c 11.28942
_cell_angle_alpha 63.74021
_cell_angle_beta 89.99960
_cell_angle_gamma 89.99966
_cell_volume 251.19728
_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 0.00000 1.00000 1.00000
Nd2 Nd 0.50000 0.00000 0.50000 1.00000
Y1 Y 0.00000 0.49999 0.50000 1.00000
Ho1 Ho 0.00000 0.74832 0.75146 1.00000
Ho2 Ho 1.00000 0.25168 0.24854 1.00000
Ho3 Ho 0.50000 0.75128 0.24875 1.00000
Ho4 Ho 0.50000 0.24872 0.75125 1.00000
Mg1 Mg 0.50000 0.50000 1.00000 1.00000
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