Tb4Y8Ho
Alexandria ALEXAlex-ID: agm097733876 · 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
AB4C8_799_spg65
Tb2Y7 Tb5Y Y5Ho
2025-06-19 20:33:20
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm097733876).
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 agm097733876
data_agm097733876
_cell_length_a 3.55296
_cell_length_b 11.82784
_cell_length_c 11.51820
_cell_angle_alpha 61.57044
_cell_angle_beta 90.02744
_cell_angle_gamma 81.38596
_cell_volume 419.42706
_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 0.96193 0.84468 0.12829 1.00000
Tb2 Tb 0.14282 0.48300 0.00121 1.00000
Tb3 Tb 0.07728 0.61604 0.45678 1.00000
Tb4 Tb 0.89627 0.97808 0.61296 1.00000
Y1 Y 0.79641 0.17509 0.07920 1.00000
Y2 Y 0.61475 0.53796 0.23551 1.00000
Y3 Y 0.55073 0.67086 0.69034 1.00000
Y4 Y 0.72963 0.30966 0.56393 1.00000
Y5 Y 0.42471 0.92010 0.35917 1.00000
Y6 Y 0.26760 0.23306 0.33315 1.00000
Y7 Y 0.19472 0.38110 0.78112 1.00000
Y8 Y 0.49836 0.77325 0.91149 1.00000
Ho1 Ho 0.34480 0.07711 0.84686 1.00000
获取直接链接