Tl3(Te2Au)2
Alexandria ALEXAlex-ID: agm005659768 · 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
A2B3C4_599_spg12
TlTe2Au TlTeAu Tl2Te
2023-06-29 03:59:56.861679
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005659768).
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 agm005659768
data_agm005659768
_cell_length_a 4.64163
_cell_length_b 7.35585
_cell_length_c 9.43637
_cell_angle_alpha 109.98128
_cell_angle_beta 104.23761
_cell_angle_gamma 89.99996
_cell_volume 292.24101
_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 0.15513 0.58610 0.31025 1.00000
Tl2 Tl 0.84487 0.41390 0.68975 1.00000
Tl3 Tl 0.00000 0.00000 0.00000 1.00000
Te1 Te 0.49989 0.69448 0.99978 1.00000
Te2 Te 0.20003 0.15367 0.40007 1.00000
Te3 Te 0.50011 0.30552 0.00022 1.00000
Te4 Te 0.79997 0.84633 0.59993 1.00000
Au1 Au 0.65660 0.90574 0.31321 1.00000
Au2 Au 0.34340 0.09426 0.68679 1.00000
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