Na2Ag3Sn5
Alexandria ALEXAlex-ID: agm005608736 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C5_227_spg36
NaAgSn2 Ag3Sn Sn
2023-06-24 21:44:54.247901
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005608736).
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 agm005608736
data_agm005608736
_cell_length_a 4.72283
_cell_length_b 7.67241
_cell_length_c 13.89869
_cell_angle_alpha 90.00000
_cell_angle_beta 99.78214
_cell_angle_gamma 90.00000
_cell_volume 496.30390
_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
Na1 Na 0.47764 0.77848 0.95528 1.00000
Na2 Na 0.17661 0.69902 0.35322 1.00000
Na3 Na 0.82339 0.19902 0.64678 1.00000
Na4 Na 0.52236 0.27848 0.04472 1.00000
Ag1 Ag 0.77650 0.68562 0.55299 1.00000
Ag2 Ag 0.60971 0.52337 0.21942 1.00000
Ag3 Ag 0.04439 0.00578 0.08877 1.00000
Ag4 Ag 0.22350 0.18562 0.44701 1.00000
Ag5 Ag 0.95561 0.50578 0.91123 1.00000
Ag6 Ag 0.39029 0.02337 0.78058 1.00000
Sn1 Sn 0.40482 0.39744 0.80964 1.00000
Sn2 Sn 0.29545 0.47943 0.59090 1.00000
Sn3 Sn 0.70455 0.97943 0.40910 1.00000
Sn4 Sn 0.11837 0.27873 0.23674 1.00000
Sn5 Sn 0.29353 0.89479 0.58706 1.00000
Sn6 Sn 0.94574 0.12213 0.89149 1.00000
Sn7 Sn 0.70647 0.39479 0.41294 1.00000
Sn8 Sn 0.88163 0.77873 0.76326 1.00000
Sn9 Sn 0.05426 0.62213 0.10851 1.00000
Sn10 Sn 0.59518 0.89744 0.19036 1.00000
