Tb5Y2Er5
Alexandria ALEXAlex-ID: agm005648265 · 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
A2B5C5_60_spg166
Tb5Er4 Tb3(YEr2)2 Tb5Y
2023-06-20 19:56:03.857640
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005648265).
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 agm005648265
data_agm005648265
_cell_length_a 5.95873
_cell_length_b 5.95845
_cell_length_c 14.54965
_cell_angle_alpha 103.62271
_cell_angle_beta 85.27043
_cell_angle_gamma 129.07468
_cell_volume 388.25910
_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 0.50000 1.00000
Tb2 Tb 0.71836 0.35790 0.07582 1.00000
Tb3 Tb 0.84320 0.48830 0.33000 1.00000
Tb4 Tb 0.15680 0.51170 0.67000 1.00000
Tb5 Tb 0.28164 0.64210 0.92418 1.00000
Y1 Y 0.85270 0.93083 0.78570 1.00000
Y2 Y 0.14730 0.06917 0.21430 1.00000
Er1 Er 0.17621 0.26006 0.43704 1.00000
Er2 Er 0.55553 0.26026 0.81761 1.00000
Er3 Er 0.44447 0.73974 0.18239 1.00000
Er4 Er 0.82379 0.73994 0.56296 1.00000
Er5 Er 0.00000 0.00000 0.00000 1.00000
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