CsTaTe6As
Alexandria ALEXAlex-ID: agm005099080 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD6_140_spg1
Cs2Te5 TaTe4 TaAs2 Te
2022-12-21 16:43:45.382487
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005099080).
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 agm005099080
data_agm005099080
_cell_length_a 7.64825
_cell_length_b 6.78276
_cell_length_c 9.34180
_cell_angle_alpha 100.37218
_cell_angle_beta 81.04248
_cell_angle_gamma 55.11486
_cell_volume 370.39761
_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
Cs1 Cs 0.16562 0.73145 0.97374 1.00000
Ta1 Ta 0.64732 0.65129 0.49328 1.00000
Te1 Te 0.07938 0.32831 0.28127 1.00000
Te2 Te 0.26172 0.10255 0.72029 1.00000
Te3 Te 0.76335 0.33742 0.67923 1.00000
Te4 Te 0.70995 0.90347 0.73294 1.00000
Te5 Te 0.40719 0.62049 0.32387 1.00000
Te6 Te 0.68040 0.93514 0.32831 1.00000
As1 As 0.28483 0.38993 0.46698 1.00000
获取直接链接