Tb5(DyTl2)2
Alexandria ALEXAlex-ID: agm003360465 · 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
A2B4C5_148_spg71
Dy9Tl4 Dy5Tl3 Tb5Tl3
2022-02-05 17:43:31.397909
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003360465).
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 agm003360465
data_agm003360465
_cell_length_a 3.47509
_cell_length_b 8.65971
_cell_length_c 15.12838
_cell_angle_alpha 106.63105
_cell_angle_beta 96.59517
_cell_angle_gamma 90.00000
_cell_volume 433.07311
_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 0.20093 0.39908 0.40186 1.00000
Tb2 Tb 0.79907 0.60092 0.59814 1.00000
Tb3 Tb 0.20093 0.00278 0.40186 1.00000
Tb4 Tb 0.50000 0.00000 0.00000 1.00000
Tb5 Tb 0.79907 0.99722 0.59814 1.00000
Dy1 Dy 0.09679 0.09678 0.19357 1.00000
Dy2 Dy 0.90321 0.90322 0.80643 1.00000
Tl1 Tl 0.69763 0.69763 0.39526 1.00000
Tl2 Tl 0.00000 0.31959 0.00000 1.00000
Tl3 Tl 0.30237 0.30237 0.60474 1.00000
Tl4 Tl 1.00000 0.68041 1.00000 1.00000
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