Tb3(Y4Er)2
Alexandria ALEXAlex-ID: agm005605041 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C8_150_spg65
Tb3(YEr2)2 Tb5Y Y5Er
2023-06-18 19:15:20.606623
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005605041).
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 agm005605041
data_agm005605041
_cell_length_a 5.64844
_cell_length_b 7.64730
_cell_length_c 10.76384
_cell_angle_alpha 110.82480
_cell_angle_beta 90.00593
_cell_angle_gamma 90.00000
_cell_volume 434.57290
_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 0.28538 0.00001 1.00000
Tb3 Tb 0.00000 0.71462 0.99999 1.00000
Y1 Y 0.99975 0.32918 0.65845 1.00000
Y2 Y 0.00025 0.67082 0.34155 1.00000
Y3 Y 0.99989 0.86615 0.73222 1.00000
Y4 Y 0.00011 0.13385 0.26778 1.00000
Y5 Y 0.50020 0.81921 0.21625 1.00000
Y6 Y 0.50020 0.39700 0.21619 1.00000
Y7 Y 0.49980 0.60300 0.78381 1.00000
Y8 Y 0.49980 0.18079 0.78375 1.00000
Er1 Er 0.50017 0.75856 0.51709 1.00000
Er2 Er 0.49983 0.24144 0.48291 1.00000
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