Tl2In4Sn5
Alexandria ALEXAlex-ID: agm005669496 · 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
A2B4C5_155_spg12
Tl6In Sn In
2023-06-21 18:44:38.217175
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005669496).
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 agm005669496
data_agm005669496
_cell_length_a 6.39927
_cell_length_b 7.70722
_cell_length_c 7.99250
_cell_angle_alpha 70.91527
_cell_angle_beta 66.40106
_cell_angle_gamma 65.47128
_cell_volume 322.45979
_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 0.34778 0.64078 0.66365 1.00000
Tl2 Tl 0.65222 0.35922 0.33635 1.00000
In1 In 0.24425 0.42593 0.08557 1.00000
In2 In 0.75575 0.57407 0.91443 1.00000
In3 In 0.75260 0.92948 0.56532 1.00000
In4 In 0.24740 0.07052 0.43468 1.00000
Sn1 Sn 0.75515 0.82815 0.17108 1.00000
Sn2 Sn 0.24485 0.17185 0.82892 1.00000
Sn3 Sn 0.00000 0.50000 0.50000 1.00000
Sn4 Sn 0.24562 0.82815 0.17108 1.00000
Sn5 Sn 0.75438 0.17185 0.82892 1.00000
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