La3Tb3Y8
Alexandria ALEXAlex-ID: agm005690013 · 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
Tb2Y7 Tb5Y LaY2
2023-06-29 11:37:25.483517
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690013).
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 agm005690013
data_agm005690013
_cell_length_a 5.74336
_cell_length_b 9.81944
_cell_length_c 9.81908
_cell_angle_alpha 102.87185
_cell_angle_beta 72.99132
_cell_angle_gamma 72.99197
_cell_volume 476.72671
_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 0.50000 0.00000 0.00000 1.00000
La2 La 0.00000 0.81562 0.18438 1.00000
La3 La 1.00000 0.18438 0.81562 1.00000
Tb1 Tb 0.50000 0.50000 0.50000 1.00000
Tb2 Tb 0.79917 0.20143 0.20143 1.00000
Tb3 Tb 0.20083 0.79857 0.79857 1.00000
Y1 Y 0.66172 0.12043 0.55659 1.00000
Y2 Y 0.33828 0.87957 0.44341 1.00000
Y3 Y 0.66172 0.55659 0.12044 1.00000
Y4 Y 0.33828 0.44341 0.87956 1.00000
Y5 Y 0.83992 0.76142 0.55829 1.00000
Y6 Y 0.16008 0.23858 0.44171 1.00000
Y7 Y 0.83992 0.55830 0.76142 1.00000
Y8 Y 0.16008 0.44170 0.23858 1.00000
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