Tb3(CdAu)2
Alexandria ALEXAlex-ID: agm005561663 · 空间群: Cmmm (#65)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_150_spg65
TbCd2 TbAu
2023-06-05 05:31:59.899447
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005561663).
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 agm005561663
data_agm005561663
_cell_length_a 4.08994
_cell_length_b 3.69354
_cell_length_c 11.75069
_cell_angle_alpha 90.00000
_cell_angle_beta 79.97779
_cell_angle_gamma 90.00000
_cell_volume 174.80150
_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 0.83867 0.00000 0.32265 1.00000
Tb2 Tb 0.00000 0.00000 0.00000 1.00000
Tb3 Tb 0.16133 0.00000 0.67735 1.00000
Cd1 Cd 0.57713 0.50000 0.84574 1.00000
Cd2 Cd 0.42287 0.50000 0.15426 1.00000
Au1 Au 0.70892 0.50000 0.58217 1.00000
Au2 Au 0.29108 0.50000 0.41783 1.00000
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