Tb4Nd3Y5
Alexandria ALEXAlex-ID: agm005694173 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C5_119_spg2
Tb5Y Tb5Nd3 NdY2
2023-06-29 13:57:19.498167
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005694173).
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 agm005694173
data_agm005694173
_cell_length_a 7.18893
_cell_length_b 11.36835
_cell_length_c 12.95635
_cell_angle_alpha 151.29997
_cell_angle_beta 56.40131
_cell_angle_gamma 129.24365
_cell_volume 393.80838
_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 0.91855 0.83456 0.66766 1.00000
Tb2 Tb 0.83410 0.66773 0.83369 1.00000
Tb3 Tb 0.16590 0.33227 0.16631 1.00000
Tb4 Tb 0.08145 0.16544 0.33234 1.00000
Nd1 Nd 0.58507 0.16759 0.33400 1.00000
Nd2 Nd 0.00000 0.00000 0.50000 1.00000
Nd3 Nd 0.41493 0.83241 0.66600 1.00000
Y1 Y 0.33279 0.66666 0.83351 1.00000
Y2 Y 0.50000 0.00000 0.50000 1.00000
Y3 Y 0.74934 0.50131 0.00109 1.00000
Y4 Y 0.25066 0.49869 0.99891 1.00000
Y5 Y 0.66721 0.33334 0.16649 1.00000
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