Tl4InSn2
Alexandria ALEXAlex-ID: agm096236401 · 空间群: Pm (#6)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_115_spg139
Tl6In Sn In
2025-04-10 20:43:15
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096236401).
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
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# CIF generated by HEAS from Alexandria entry agm096236401
data_agm096236401
_cell_length_a 5.19338
_cell_length_b 6.62354
_cell_length_c 6.65491
_cell_angle_alpha 74.41226
_cell_angle_beta 90.00102
_cell_angle_gamma 89.99559
_cell_volume 220.49967
_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
Tl1 Tl 0.50000 0.35922 0.92225 1.00000
Tl2 Tl 0.99996 0.13431 0.32076 1.00000
Tl3 Tl 0.00003 0.58683 0.53797 1.00000
Tl4 Tl 0.49997 0.82776 0.19635 1.00000
In1 In 0.99998 0.61821 0.02544 1.00000
Sn1 Sn 0.00002 0.09413 0.82123 1.00000
Sn2 Sn 0.50003 0.87954 0.67600 1.00000
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