Dy2Tl3Sn2
Alexandria ALEXAlex-ID: agm008764547 · 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
A2B2C3_22_spg12
Tl DySn
2024-06-27 14:31:38.613751
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008764547).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm008764547
data_agm008764547
_cell_length_a 5.81305
_cell_length_b 5.81305
_cell_length_c 8.30129
_cell_angle_alpha 76.45167
_cell_angle_beta 76.45167
_cell_angle_gamma 45.64049
_cell_volume 193.97190
_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
Dy1 Dy 0.78026 0.78026 0.66644 1.00000
Dy2 Dy 0.21974 0.21974 0.33356 1.00000
Tl1 Tl 0.50000 0.50000 0.50000 1.00000
Tl2 Tl 0.37010 0.37010 0.93373 1.00000
Tl3 Tl 0.62990 0.62990 0.06627 1.00000
Sn1 Sn 0.93665 0.93665 0.25385 1.00000
Sn2 Sn 0.06335 0.06335 0.74615 1.00000
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