Tb3Y8Ho3
Alexandria ALEXAlex-ID: agm005690956 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C8_31_spg71
Tb5Y Tb2Ho Y5Ho
2023-06-29 12:01:19.310653
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690956).
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 agm005690956
data_agm005690956
_cell_length_a 5.63761
_cell_length_b 9.63292
_cell_length_c 9.63292
_cell_angle_alpha 101.67499
_cell_angle_beta 72.98697
_cell_angle_gamma 72.98696
_cell_volume 454.00617
_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 0.50000 0.00000 0.00000 1.00000
Tb2 Tb 1.00000 0.81967 0.18033 1.00000
Tb3 Tb 0.00000 0.18033 0.81967 1.00000
Y1 Y 0.65828 0.11970 0.56369 1.00000
Y2 Y 0.34172 0.88030 0.43631 1.00000
Y3 Y 0.65828 0.56369 0.11970 1.00000
Y4 Y 0.34172 0.43631 0.88030 1.00000
Y5 Y 0.84160 0.76188 0.55497 1.00000
Y6 Y 0.15840 0.23812 0.44503 1.00000
Y7 Y 0.84160 0.55497 0.76188 1.00000
Y8 Y 0.15840 0.44503 0.23812 1.00000
Ho1 Ho 0.50000 0.50000 0.50000 1.00000
Ho2 Ho 0.79752 0.20244 0.20244 1.00000
Ho3 Ho 0.20248 0.79756 0.79756 1.00000
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