Tl3(CuTe)4
Alexandria ALEXAlex-ID: agm005706443 · 空间群: Amm2 (#38)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4C4_59_spg38
Tl(CuTe)2 Cu Tl2Te
2023-06-29 21:02:38.215256
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005706443).
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 agm005706443
data_agm005706443
_cell_length_a 4.22550
_cell_length_b 8.68133
_cell_length_c 8.60392
_cell_angle_alpha 90.00000
_cell_angle_beta 89.99998
_cell_angle_gamma 104.08494
_cell_volume 306.12847
_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 0.40448 0.80896 0.25378 1.00000
Tl2 Tl 0.40448 0.80896 0.74622 1.00000
Tl3 Tl 0.24700 0.49400 0.00000 1.00000
Cu1 Cu 0.58635 0.17271 0.50000 1.00000
Cu2 Cu 0.60070 0.20141 1.00000 1.00000
Cu3 Cu 0.09385 0.18769 0.75165 1.00000
Cu4 Cu 0.09385 0.18769 0.24835 1.00000
Te1 Te 0.68837 0.37673 0.72952 1.00000
Te2 Te 0.68837 0.37673 0.27048 1.00000
Te3 Te 0.99274 0.98549 0.50000 1.00000
Te4 Te 0.99830 0.99660 1.00000 1.00000
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