Tb3(ZnCu)4
Alexandria ALEXAlex-ID: agm003380652 · 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
A3B4C4_0_spg71
TbZn2Cu3 TbZn2 TbCu2
2022-02-09 02:25:13.293334
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003380652).
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 agm003380652
data_agm003380652
_cell_length_a 3.64401
_cell_length_b 4.20279
_cell_length_c 13.57804
_cell_angle_alpha 81.35687
_cell_angle_beta 82.18884
_cell_angle_gamma 90.09858
_cell_volume 203.62663
_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 0.14524 0.64702 0.70696 1.00000
Tb2 Tb 0.85480 0.35301 0.29304 1.00000
Tb3 Tb 1.00000 0.00001 0.00000 1.00000
Zn1 Zn 0.59407 0.09542 0.80879 1.00000
Zn2 Zn 0.25469 0.25618 0.49028 1.00000
Zn3 Zn 0.74536 0.74384 0.50972 1.00000
Zn4 Zn 0.40595 0.90460 0.19121 1.00000
Cu1 Cu 0.54493 0.54774 0.90590 1.00000
Cu2 Cu 0.45508 0.45228 0.09409 1.00000
Cu3 Cu 0.31233 0.81158 0.37830 1.00000
Cu4 Cu 0.68770 0.18845 0.62171 1.00000
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