Tl4Te3N4
Alexandria ALEXAlex-ID: agm005705676 · 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
A3B4C4_233_spg12
TlTeN2 Tl2Te3 Tl2TeN2
2023-06-30 00:20:01.977323
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005705676).
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
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# CIF generated by HEAS from Alexandria entry agm005705676
data_agm005705676
_cell_length_a 3.12828
_cell_length_b 13.15072
_cell_length_c 8.05178
_cell_angle_alpha 119.82160
_cell_angle_beta 101.20159
_cell_angle_gamma 90.00003
_cell_volume 280.08241
_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 0.78104 0.41482 0.56208 1.00000
Tl2 Tl 0.21896 0.58518 0.43792 1.00000
Tl3 Tl 0.49629 0.78819 0.99259 1.00000
Tl4 Tl 0.50371 0.21181 0.00741 1.00000
Te1 Te 0.81114 0.88767 0.62228 1.00000
Te2 Te 0.18886 0.11233 0.37772 1.00000
Te3 Te 0.00000 0.50000 0.00000 1.00000
N1 N 0.66639 0.21362 0.33277 1.00000
N2 N 0.38321 0.00670 0.76643 1.00000
N3 N 0.33361 0.78638 0.66723 1.00000
N4 N 0.61679 0.99330 0.23357 1.00000
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