LaAg12Te7
Alexandria ALEXAlex-ID: agm005802482 · 空间群: R-3 (#148)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB7C12_31_spg148
La(AgTe)3 Ag2Te Ag
2023-07-15 10:46:46.974826
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005802482).
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 agm005802482
data_agm005802482
_cell_length_a 8.15816
_cell_length_b 8.64030
_cell_length_c 8.64030
_cell_angle_alpha 69.42612
_cell_angle_beta 71.65532
_cell_angle_gamma 108.34469
_cell_volume 475.20146
_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
La1 La 0.00000 0.00000 0.00000 1.00000
Ag1 Ag 0.96919 0.55606 0.22264 1.00000
Ag2 Ag 0.80817 0.77736 0.77870 1.00000
Ag3 Ag 0.61833 0.35848 0.01115 1.00000
Ag4 Ag 0.37052 0.98885 0.36963 1.00000
Ag5 Ag 0.58687 0.77870 0.44394 1.00000
Ag6 Ag 0.74015 0.36963 0.64152 1.00000
Ag7 Ag 0.25985 0.63037 0.35848 1.00000
Ag8 Ag 0.41313 0.22130 0.55606 1.00000
Ag9 Ag 0.62948 0.01115 0.63037 1.00000
Ag10 Ag 0.38167 0.64152 0.98885 1.00000
Ag11 Ag 0.19183 0.22264 0.22130 1.00000
Ag12 Ag 0.03081 0.44394 0.77736 1.00000
Te1 Te 0.82305 0.20674 0.21217 1.00000
Te2 Te 0.96478 0.78783 0.41891 1.00000
Te3 Te 0.38370 0.41891 0.79326 1.00000
Te4 Te 0.50000 0.00000 0.00000 1.00000
Te5 Te 0.61630 0.58109 0.20674 1.00000
Te6 Te 0.03522 0.21217 0.58109 1.00000
Te7 Te 0.17695 0.79326 0.78783 1.00000
