Al2Tl
Alexandria ALEXAlex-ID: agm005484616 · 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_1946_spg8
Tl Al
2023-03-18 04:11:15.738123
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005484616).
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 agm005484616
data_agm005484616
_cell_length_a 5.81249
_cell_length_b 5.81249
_cell_length_c 7.62208
_cell_angle_alpha 86.50319
_cell_angle_beta 86.50319
_cell_angle_gamma 31.44560
_cell_volume 134.07110
_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
Al1 Al 0.96440 0.96440 0.06956 1.00000
Al2 Al 0.32777 0.32777 0.30949 1.00000
Al3 Al 0.72758 0.72758 0.57676 1.00000
Al4 Al 0.59769 0.59769 0.28690 1.00000
Tl1 Tl 0.98492 0.98492 0.65963 1.00000
Tl2 Tl 0.23097 0.23097 0.93101 1.00000
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