TaTe2I5
Alexandria ALEXAlex-ID: agm005955422 · 空间群: Imm2 (#44)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C5_1203_spg5
Te TaI5
2023-09-05 18:22:54
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005955422).
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 agm005955422
data_agm005955422
_cell_length_a 8.46300
_cell_length_b 8.19162
_cell_length_c 8.17601
_cell_angle_alpha 76.29172
_cell_angle_beta 58.84708
_cell_angle_gamma 58.94343
_cell_volume 415.19154
_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
Ta1 Ta 0.99163 0.00006 0.00016 1.00000
Te1 Te 0.98927 0.49947 0.49943 1.00000
Te2 Te 0.29578 0.50021 0.49984 1.00000
I1 I 0.71884 0.00978 0.37554 1.00000
I2 I 0.10127 0.62551 0.99598 1.00000
I3 I 0.72284 0.37451 0.00424 1.00000
I4 I 0.10365 0.99022 0.62478 1.00000
I5 I 0.29971 0.00023 0.00002 1.00000
获取直接链接