Tl5Ge2Au5
Alexandria ALEXAlex-ID: agm005646623 · 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
A2B5C5_24_spg12
Tl2Au TlGe2Au3
2023-06-18 23:56:03.735638
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646623).
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}
}
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# CIF generated by HEAS from Alexandria entry agm005646623
data_agm005646623
_cell_length_a 3.86169
_cell_length_b 7.26496
_cell_length_c 12.23187
_cell_angle_alpha 68.47897
_cell_angle_beta 80.91765
_cell_angle_gamma 74.58698
_cell_volume 307.06151
_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 0.50000 0.50000 0.50000 1.00000
Tl2 Tl 0.33188 0.26215 0.07408 1.00000
Tl3 Tl 0.23016 0.15882 0.38087 1.00000
Tl4 Tl 0.76984 0.84118 0.61913 1.00000
Tl5 Tl 0.66812 0.73785 0.92592 1.00000
Ge1 Ge 0.95516 0.28804 0.80165 1.00000
Ge2 Ge 0.04484 0.71196 0.19835 1.00000
Au1 Au 0.89457 0.84145 0.36942 1.00000
Au2 Au 0.33809 0.53690 0.78693 1.00000
Au3 Au 0.66191 0.46310 0.21307 1.00000
Au4 Au 0.10543 0.15855 0.63058 1.00000
Au5 Au 0.00000 0.00000 0.00000 1.00000
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