Tl2Si
Alexandria ALEXAlex-ID: agm005459150 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_395_spg8
Si Tl
2023-03-21 23:37:43.595494
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005459150).
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 agm005459150
data_agm005459150
_cell_length_a 6.34096
_cell_length_b 6.34096
_cell_length_c 7.64654
_cell_angle_alpha 77.45813
_cell_angle_beta 77.45813
_cell_angle_gamma 34.28313
_cell_volume 168.65055
_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 0.56762 0.56762 0.78261 1.00000
Tl2 Tl 0.66616 0.66616 0.31867 1.00000
Tl3 Tl 0.89656 0.89656 0.52427 1.00000
Tl4 Tl 0.27415 0.27415 0.90778 1.00000
Si1 Si 0.02566 0.02566 0.11614 1.00000
Si2 Si 0.40318 0.40318 0.18386 1.00000
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