La4Tb5Y2
Alexandria ALEXAlex-ID: agm005639773 · 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
A2B4C5_643_spg12
La3Tb5 LaY2
2023-06-22 17:51:48.633848
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005639773).
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
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# CIF generated by HEAS from Alexandria entry agm005639773
data_agm005639773
_cell_length_a 3.57275
_cell_length_b 11.76510
_cell_length_c 9.10421
_cell_angle_alpha 94.13149
_cell_angle_beta 101.31563
_cell_angle_gamma 89.99990
_cell_volume 374.23107
_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
La1 La 0.35963 0.20377 0.71925 1.00000
La2 La 0.96313 0.73795 0.92625 1.00000
La3 La 0.64037 0.79623 0.28075 1.00000
La4 La 0.03687 0.26205 0.07375 1.00000
Tb1 Tb 0.90262 0.46122 0.80524 1.00000
Tb2 Tb 0.09738 0.53878 0.19476 1.00000
Tb3 Tb 0.82161 0.92879 0.64321 1.00000
Tb4 Tb 0.50000 0.00000 0.00000 1.00000
Tb5 Tb 0.17839 0.07121 0.35679 1.00000
Y1 Y 0.71539 0.35745 0.43079 1.00000
Y2 Y 0.28461 0.64255 0.56921 1.00000
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