Sr2Al16Pt9
Alexandria ALEXAlex-ID: agm008293117 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B9C16_1_spg71
Sr2Al16Pt9
2024-10-02 14:27:27.825018
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm008293117).
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 agm008293117
data_agm008293117
_cell_length_a 11.24452
_cell_length_b 11.24452
_cell_length_c 11.24452
_cell_angle_alpha 158.49089
_cell_angle_beta 115.34359
_cell_angle_gamma 68.99774
_cell_volume 467.69730
_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
Sr1 Sr 0.22868 0.22868 0.00000 1.00000
Sr2 Sr 0.77132 0.77132 0.00000 1.00000
Al1 Al 0.27581 0.39328 0.88253 1.00000
Al2 Al 0.09233 0.92071 0.17162 1.00000
Al3 Al 0.51068 0.20449 0.30619 1.00000
Al4 Al 0.25091 0.07929 0.17162 1.00000
Al5 Al 0.91432 0.41432 0.50000 1.00000
Al6 Al 0.72419 0.60672 0.11747 1.00000
Al7 Al 0.89829 0.20449 0.69381 1.00000
Al8 Al 0.48932 0.79551 0.69381 1.00000
Al9 Al 0.38471 0.00000 0.38471 1.00000
Al10 Al 0.61529 0.00000 0.61529 1.00000
Al11 Al 0.48925 0.60672 0.88253 1.00000
Al12 Al 0.10171 0.79551 0.30619 1.00000
Al13 Al 0.90767 0.07929 0.82838 1.00000
Al14 Al 0.74909 0.92071 0.82838 1.00000
Al15 Al 0.51075 0.39328 0.11747 1.00000
Al16 Al 0.08568 0.58568 0.50000 1.00000
Pt1 Pt 0.74962 0.50000 0.24962 1.00000
Pt2 Pt 0.03019 0.34120 0.68900 1.00000
Pt3 Pt 0.62149 0.12149 0.50000 1.00000
Pt4 Pt 0.25038 0.50000 0.75038 1.00000
Pt5 Pt 0.37851 0.87851 0.50000 1.00000
Pt6 Pt 0.00000 0.00000 0.00000 1.00000
Pt7 Pt 0.65220 0.34120 0.31100 1.00000
Pt8 Pt 0.34780 0.65880 0.68900 1.00000
Pt9 Pt 0.96981 0.65880 0.31100 1.00000
