K2AgTe9
Alexandria ALEXAlex-ID: agm101899480 · 空间群: C2 (#5)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C9_496_spg38
K2Te5 KAg3Te2 Te
2025-05-19 19:27:49
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm101899480).
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}
}
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# CIF generated by HEAS from Alexandria entry agm101899480
data_agm101899480
_cell_length_a 4.30034
_cell_length_b 10.51840
_cell_length_c 10.51917
_cell_angle_alpha 111.46128
_cell_angle_beta 89.34594
_cell_angle_gamma 90.65738
_cell_volume 442.77793
_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 0.02120 0.67238 0.37917 1.00000
K2 K 0.97737 0.37875 0.67276 1.00000
Ag1 Ag 0.00001 0.02961 0.02956 1.00000
Te1 Te 0.49322 0.89268 0.10873 1.00000
Te2 Te 0.01917 0.53168 0.02273 1.00000
Te3 Te 0.00025 0.30536 0.30534 1.00000
Te4 Te 0.50210 0.39895 0.13459 1.00000
Te5 Te 0.50687 0.10880 0.89259 1.00000
Te6 Te 0.49842 0.13454 0.39871 1.00000
Te7 Te 0.48300 0.67877 0.84589 1.00000
Te8 Te 0.98137 0.02244 0.53116 1.00000
Te9 Te 0.51702 0.84603 0.67877 1.00000
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