Cd2SiTe4
Alexandria ALEXAlex-ID: agm044752061 · 空间群: I-4 (#82)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_31_spg87
SiTe2 CdTe
2025-04-19 05:22:17
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm044752061).
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 agm044752061
data_agm044752061
_cell_length_a 6.18792
_cell_length_b 6.18746
_cell_length_c 7.55210
_cell_angle_alpha 114.16120
_cell_angle_beta 114.18188
_cell_angle_gamma 90.00426
_cell_volume 235.73232
_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
Cd1 Cd 0.49981 0.49996 0.00004 1.00000
Cd2 Cd 0.25001 0.75023 0.50007 1.00000
Si1 Si 0.75013 0.24994 0.49996 1.00000
Te1 Te 0.36383 0.92452 0.23899 1.00000
Te2 Te 0.07554 0.12460 0.76107 1.00000
Te3 Te 0.87544 0.31477 0.23908 1.00000
Te4 Te 0.68525 0.63597 0.76080 1.00000
获取直接链接