Al2Zn3Ni10(SnTe4)5
Alexandria ALEXAlex-ID: agm010590198 · 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
A2B3C5D10E20_2_spg5
Al3Ni5 Ni6Sn5 NiTe2 ZnTe SnTe
2024-06-28 19:53:18.036226
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm010590198).
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 agm010590198
data_agm010590198
_cell_length_a 7.53668
_cell_length_b 7.53668
_cell_length_c 27.12467
_cell_angle_alpha 91.21162
_cell_angle_beta 91.21162
_cell_angle_gamma 47.24168
_cell_volume 1130.93450
_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
Al1 Al 0.79877 0.40248 0.10049 1.00000
Al2 Al 0.59752 0.20123 0.89951 1.00000
Zn1 Zn 0.40044 0.99867 0.69955 1.00000
Zn2 Zn 0.20126 0.79874 0.50000 1.00000
Zn3 Zn 0.00133 0.59956 0.30045 1.00000
Ni1 Ni 0.10198 0.69694 0.64950 1.00000
Ni2 Ni 0.70279 0.29937 0.25061 1.00000
Ni3 Ni 0.90215 0.49856 0.45025 1.00000
Ni4 Ni 0.29657 0.90103 0.84960 1.00000
Ni5 Ni 0.49749 0.10318 0.05022 1.00000
Ni6 Ni 0.70063 0.29721 0.74939 1.00000
Ni7 Ni 0.30306 0.89802 0.35050 1.00000
Ni8 Ni 0.50144 0.09785 0.54975 1.00000
Ni9 Ni 0.89682 0.50251 0.94978 1.00000
Ni10 Ni 0.09897 0.70343 0.15040 1.00000
Sn1 Sn 0.99719 0.59815 0.79843 1.00000
Sn2 Sn 0.60260 0.19846 0.40021 1.00000
Sn3 Sn 0.80154 0.39740 0.59979 1.00000
Sn4 Sn 0.19750 0.80250 0.00000 1.00000
Sn5 Sn 0.40185 0.00281 0.20157 1.00000
Te1 Te 0.43126 0.50409 0.82323 1.00000
Te2 Te 0.23300 0.30243 0.62350 1.00000
Te3 Te 0.03368 0.10390 0.42418 1.00000
Te4 Te 0.83534 0.90491 0.22470 1.00000
Te5 Te 0.63347 0.70615 0.02419 1.00000
Te6 Te 0.79948 0.92552 0.71722 1.00000
Te7 Te 0.59990 0.72467 0.51838 1.00000
Te8 Te 0.39988 0.52598 0.31878 1.00000
Te9 Te 0.19636 0.33089 0.11868 1.00000
Te10 Te 0.99517 0.13099 0.91747 1.00000
Te11 Te 0.47402 0.60012 0.68122 1.00000
Te12 Te 0.27533 0.40010 0.48162 1.00000
Te13 Te 0.07448 0.20052 0.28278 1.00000
Te14 Te 0.86901 0.00483 0.08253 1.00000
Te15 Te 0.66911 0.80364 0.88132 1.00000
Te16 Te 0.89610 0.96632 0.57582 1.00000
Te17 Te 0.69757 0.76700 0.37650 1.00000
Te18 Te 0.49591 0.56874 0.17677 1.00000
Te19 Te 0.29385 0.36653 0.97581 1.00000
Te20 Te 0.09509 0.16466 0.77530 1.00000
