Na4SiTe5
Alexandria ALEXAlex-ID: agm003659244 · 空间群: I4 (#79)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_149_spg79
Na3SiTe3 Na2Te NaTe3
2022-04-06 22:27:10.151730
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003659244).
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
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# CIF generated by HEAS from Alexandria entry agm003659244
data_agm003659244
_cell_length_a 6.65298
_cell_length_b 7.73513
_cell_length_c 7.73513
_cell_angle_alpha 79.34221
_cell_angle_beta 64.52929
_cell_angle_gamma 64.52929
_cell_volume 324.44373
_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 0.41586 0.37982 0.78463 1.00000
Na2 Na 0.79569 0.78463 0.62018 1.00000
Na3 Na 0.20049 0.21537 0.37982 1.00000
Na4 Na 0.58031 0.62018 0.21537 1.00000
Si1 Si 0.09018 1.00000 0.00000 1.00000
Te1 Te 0.91429 0.32290 0.82793 1.00000
Te2 Te 0.23719 0.82793 0.67710 1.00000
Te3 Te 0.74222 0.17207 0.32290 1.00000
Te4 Te 0.06512 0.67710 0.17207 1.00000
Te5 Te 0.46895 1.00000 0.00000 1.00000
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