Tb8Y2Th3
Alexandria ALEXAlex-ID: agm005605490 · 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
A2B3C8_363_spg71
TbYTh2 Tb5Y Tb2Th
2023-06-16 16:54:17.959817
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005605490).
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 agm005605490
data_agm005605490
_cell_length_a 5.64024
_cell_length_b 6.79195
_cell_length_c 11.99665
_cell_angle_alpha 106.44351
_cell_angle_beta 103.55614
_cell_angle_gamma 89.99988
_cell_volume 427.40798
_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 0.42461 0.42505 0.85010 1.00000
Tb2 Tb 0.57539 0.57495 0.14990 1.00000
Tb3 Tb 0.31804 0.81851 0.63703 1.00000
Tb4 Tb 0.68196 0.18149 0.36297 1.00000
Tb5 Tb 0.15019 0.88811 0.29913 1.00000
Tb6 Tb 0.15020 0.41102 0.29913 1.00000
Tb7 Tb 0.84980 0.58898 0.70087 1.00000
Tb8 Tb 0.84981 0.11189 0.70087 1.00000
Y1 Y 0.72415 0.72387 0.44775 1.00000
Y2 Y 0.27585 0.27613 0.55225 1.00000
Th1 Th 0.50000 0.00000 0.00000 1.00000
Th2 Th 1.00000 0.26628 0.00000 1.00000
Th3 Th 0.00000 0.73372 1.00000 1.00000
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