Tb3Y8Er3
Alexandria ALEXAlex-ID: agm005690787 · 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
Tb3(YEr2)2 Tb5Y Y5Er
2023-06-29 12:26:49.006562
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690787).
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 agm005690787
data_agm005690787
_cell_length_a 5.63225
_cell_length_b 9.61956
_cell_length_c 9.61956
_cell_angle_alpha 101.55439
_cell_angle_beta 72.97816
_cell_angle_gamma 72.97817
_cell_volume 452.61033
_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 0.81984 0.18016 1.00000
Tb3 Tb 0.00000 0.18016 0.81984 1.00000
Y1 Y 0.65814 0.11976 0.56393 1.00000
Y2 Y 0.34186 0.88024 0.43607 1.00000
Y3 Y 0.65814 0.56393 0.11976 1.00000
Y4 Y 0.34186 0.43607 0.88024 1.00000
Y5 Y 0.84174 0.76162 0.55492 1.00000
Y6 Y 0.15826 0.23838 0.44508 1.00000
Y7 Y 0.84174 0.55492 0.76162 1.00000
Y8 Y 0.15826 0.44508 0.23838 1.00000
Er1 Er 0.50000 0.50000 0.50000 1.00000
Er2 Er 0.79736 0.20262 0.20262 1.00000
Er3 Er 0.20264 0.79738 0.79738 1.00000
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