Tl2Ge3Au5
Alexandria ALEXAlex-ID: agm005609581 · 空间群: Ibam (#72)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_91_spg72
TlGe2Au3 TlAu
2023-06-24 11:45:47.657707
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005609581).
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 agm005609581
data_agm005609581
_cell_length_a 6.59865
_cell_length_b 8.89909
_cell_length_c 8.89909
_cell_angle_alpha 75.98680
_cell_angle_beta 68.23820
_cell_angle_gamma 68.23819
_cell_volume 447.40942
_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 0.13537 0.60235 0.12691 1.00000
Tl2 Tl 0.63537 0.12691 0.60235 1.00000
Tl3 Tl 0.86463 0.39765 0.87309 1.00000
Tl4 Tl 0.36463 0.87309 0.39765 1.00000
Ge1 Ge 0.36593 0.52323 0.74491 1.00000
Ge2 Ge 0.86593 0.74491 0.52323 1.00000
Ge3 Ge 0.63407 0.47677 0.25509 1.00000
Ge4 Ge 0.13407 0.25509 0.47677 1.00000
Ge5 Ge 0.25000 0.00000 0.00000 1.00000
Ge6 Ge 0.75000 0.00000 0.00000 1.00000
Au1 Au 0.40056 0.25742 0.94147 1.00000
Au2 Au 0.90056 0.94147 0.25742 1.00000
Au3 Au 0.59944 0.74258 0.05853 1.00000
Au4 Au 0.09944 0.05853 0.74258 1.00000
Au5 Au 0.48329 0.76671 0.76671 1.00000
Au6 Au 0.51671 0.23329 0.23329 1.00000
Au7 Au 0.75000 0.50000 0.50000 1.00000
Au8 Au 0.25000 0.50000 0.50000 1.00000
Au9 Au 0.01671 0.23329 0.23329 1.00000
Au10 Au 0.98329 0.76671 0.76671 1.00000
