Tb3(In2Cu)2
Alexandria ALEXAlex-ID: agm005606819 · 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
A2B3C4_272_spg12
Tb3In5 TbInCu TbIn3
2023-06-26 23:12:44.023928
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005606819).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005606819
data_agm005606819
_cell_length_a 4.71988
_cell_length_b 5.97117
_cell_length_c 8.64607
_cell_angle_alpha 73.09599
_cell_angle_beta 74.16015
_cell_angle_gamma 66.72015
_cell_volume 210.67359
_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 0.32801 0.69452 0.64946 1.00000
Tb2 Tb 0.00000 0.00000 0.00000 1.00000
Tb3 Tb 0.67199 0.30548 0.35054 1.00000
In1 In 0.27143 0.37713 0.08002 1.00000
In2 In 0.72857 0.62287 0.91998 1.00000
In3 In 0.03861 0.28744 0.63535 1.00000
In4 In 0.96139 0.71256 0.36465 1.00000
Cu1 Cu 0.40284 0.92286 0.27147 1.00000
Cu2 Cu 0.59716 0.07714 0.72853 1.00000
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