Tl2AuN
Alexandria ALEXAlex-ID: agm002861237 · 空间群: I-42d (#122)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_147_spg122
Tl2AuN2 Tl2Au
2016-12-16 18:37:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002861237).
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 agm002861237
data_agm002861237
_cell_length_a 6.46787
_cell_length_b 6.46787
_cell_length_c 6.42846
_cell_angle_alpha 59.79700
_cell_angle_beta 59.79700
_cell_angle_gamma 90.00000
_cell_volume 188.98474
_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 0.55829 0.12500 0.25000 1.00000
Tl2 Tl 0.19171 0.62500 0.25000 1.00000
Tl3 Tl 0.37500 0.44171 0.75000 1.00000
Tl4 Tl 0.87500 0.80829 0.75000 1.00000
Au1 Au 0.00000 0.00000 0.00000 1.00000
Au2 Au 0.75000 0.25000 0.50000 1.00000
N1 N 0.50000 0.50000 0.00000 1.00000
N2 N 0.25000 0.75000 0.50000 1.00000
