Th2Ta2Te2N5
Alexandria ALEXAlex-ID: agm016062425 · 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
A2B2C2D5_7_spg139
Ta5N6 Ta3N5 Th2TeN2 Te
2024-12-11 04:42:29
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm016062425).
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 agm016062425
data_agm016062425
_cell_length_a 3.97236
_cell_length_b 3.97269
_cell_length_c 16.22376
_cell_angle_alpha 90.58087
_cell_angle_beta 90.25962
_cell_angle_gamma 89.99893
_cell_volume 256.01044
_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
Th1 Th 0.50400 0.50937 0.23723 1.00000
Th2 Th 0.49600 0.49063 0.76277 1.00000
Ta1 Ta 0.99816 0.99561 0.88442 1.00000
Ta2 Ta 0.00184 0.00439 0.11558 1.00000
Te1 Te 0.99373 0.98568 0.64317 1.00000
Te2 Te 0.00627 0.01432 0.35683 1.00000
N1 N 0.00000 0.00000 0.00000 1.00000
N2 N 0.99754 0.49401 0.84274 1.00000
N3 N 0.50247 0.00601 0.15728 1.00000
N4 N 0.49753 0.99399 0.84272 1.00000
N5 N 0.00246 0.50599 0.15726 1.00000
获取直接链接