Tb5In2
Alexandria ALEXAlex-ID: agm003288685 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5_162_spg166
Tb3In Tb2In
2022-01-15 20:18:38.284353
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003288685).
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 agm003288685
data_agm003288685
_cell_length_a 5.40040
_cell_length_b 9.35564
_cell_length_c 8.62684
_cell_angle_alpha 100.42254
_cell_angle_beta 108.24012
_cell_angle_gamma 90.00000
_cell_volume 406.38463
_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 0.38586 0.46189 0.27179 1.00000
Tb2 Tb 0.11408 0.03811 0.72821 1.00000
Tb3 Tb 0.01992 0.67316 0.53939 1.00000
Tb4 Tb 0.48052 0.82684 0.46061 1.00000
Tb5 Tb 0.98008 0.32684 0.46061 1.00000
Tb6 Tb 0.51948 0.17316 0.53939 1.00000
Tb7 Tb 0.88592 0.96189 0.27179 1.00000
Tb8 Tb 0.61414 0.53811 0.72821 1.00000
Tb9 Tb 0.74986 0.25000 1.00000 1.00000
Tb10 Tb 0.25014 0.75000 0.00000 1.00000
In1 In 0.17518 0.39190 0.85050 1.00000
In2 In 0.32469 0.10810 0.14950 1.00000
In3 In 0.82482 0.60810 0.14950 1.00000
In4 In 0.67531 0.89190 0.85050 1.00000
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