Tl2Zn
Alexandria ALEXAlex-ID: agm005449282 · 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
AB2_2147_spg12
Zn Tl
2023-03-22 03:13:16.572173
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005449282).
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 agm005449282
data_agm005449282
_cell_length_a 5.98854
_cell_length_b 5.98854
_cell_length_c 8.73952
_cell_angle_alpha 66.02038
_cell_angle_beta 66.02038
_cell_angle_gamma 33.78868
_cell_volume 157.79950
_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 0.51262 0.51262 0.79858 1.00000
Tl2 Tl 0.16304 0.16304 0.39327 1.00000
Tl3 Tl 0.83696 0.83696 0.60673 1.00000
Tl4 Tl 0.48738 0.48738 0.20142 1.00000
Zn1 Zn 0.79940 0.79940 0.07248 1.00000
Zn2 Zn 0.20060 0.20060 0.92752 1.00000
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