KGa2AgTe4
Alexandria ALEXAlex-ID: agm004774583 · 空间群: I222 (#23)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2D4_384_spg23
KGaTe2 GaAgTe2
2022-07-16 16:26:30.052894
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm004774583).
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 agm004774583
data_agm004774583
_cell_length_a 6.86872
_cell_length_b 7.31102
_cell_length_c 7.31102
_cell_angle_alpha 74.84077
_cell_angle_beta 61.98188
_cell_angle_gamma 61.98188
_cell_volume 285.73168
_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
K1 K 0.00000 0.00000 0.00000 1.00000
Ga1 Ga 0.16384 0.33616 0.33616 1.00000
Ga2 Ga 0.83616 0.66384 0.66384 1.00000
Ag1 Ag 0.50000 0.50000 0.50000 1.00000
Te1 Te 0.46024 0.12973 0.49699 1.00000
Te2 Te 0.08695 0.87027 0.50301 1.00000
Te3 Te 0.91304 0.49699 0.12973 1.00000
Te4 Te 0.53977 0.50301 0.87027 1.00000
获取直接链接