TbDy2YHo4
Alexandria ALEXAlex-ID: agm020000834 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_379_spg1
Tb5YHo12 TbDy5 Dy2Ho7 Y5Ho
2025-01-25 10:41:59
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm020000834).
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 agm020000834
data_agm020000834
_cell_length_a 6.68481
_cell_length_b 7.23492
_cell_length_c 11.10099
_cell_angle_alpha 80.63792
_cell_angle_beta 85.80886
_cell_angle_gamma 74.31120
_cell_volume 509.76285
_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
Tb1 Tb 0.97939 0.56248 0.02170 1.00000
Tb2 Tb 0.98123 0.06139 0.02079 1.00000
Dy1 Dy 0.02044 0.93775 0.47909 1.00000
Dy2 Dy 0.52022 0.93798 0.97858 1.00000
Dy3 Dy 0.48122 0.06144 0.52062 1.00000
Dy4 Dy 0.47948 0.56256 0.52152 1.00000
Y1 Y 0.51997 0.43791 0.97884 1.00000
Y2 Y 0.02022 0.43769 0.47933 1.00000
Ho1 Ho 0.77036 0.18727 0.72935 1.00000
Ho2 Ho 0.77078 0.68793 0.72949 1.00000
Ho3 Ho 0.27099 0.18702 0.22995 1.00000
Ho4 Ho 0.27143 0.68768 0.23010 1.00000
Ho5 Ho 0.72835 0.31209 0.27108 1.00000
Ho6 Ho 0.22836 0.31226 0.77042 1.00000
Ho7 Ho 0.72876 0.81321 0.26991 1.00000
Ho8 Ho 0.22881 0.81333 0.76921 1.00000
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