Al3Cr20Si9
Alexandria ALEXAlex-ID: agm005252928 · 空间群: C222 (#21)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B9C20_5_spg21
Al9Cr3Si Cr3Si CrSi2
2023-05-18 20:17:53.989316
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005252928).
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 agm005252928
data_agm005252928
_cell_length_a 6.85803
_cell_length_b 6.85803
_cell_length_c 12.91528
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 140.48239
_cell_volume 386.52246
_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 0.00000 0.00000 0.00000 1.00000
Al2 Al 0.50000 0.50000 0.50000 1.00000
Al3 Al 0.50000 0.50000 0.00000 1.00000
Cr1 Cr 0.83300 0.67879 0.34499 1.00000
Cr2 Cr 0.32773 0.16940 0.84128 1.00000
Cr3 Cr 0.16940 0.32773 0.15872 1.00000
Cr4 Cr 0.67879 0.83300 0.65501 1.00000
Cr5 Cr 0.59080 0.90935 0.07875 1.00000
Cr6 Cr 0.09011 0.39989 0.57747 1.00000
Cr7 Cr 0.39989 0.09011 0.42253 1.00000
Cr8 Cr 0.90935 0.59080 0.92125 1.00000
Cr9 Cr 0.40920 0.09065 0.07875 1.00000
Cr10 Cr 0.90989 0.60011 0.57747 1.00000
Cr11 Cr 0.60011 0.90989 0.42253 1.00000
Cr12 Cr 0.09065 0.40920 0.92125 1.00000
Cr13 Cr 0.16700 0.32121 0.34499 1.00000
Cr14 Cr 0.67227 0.83060 0.84128 1.00000
Cr15 Cr 0.83060 0.67227 0.15872 1.00000
Cr16 Cr 0.32121 0.16700 0.65501 1.00000
Cr17 Cr 0.75000 0.24996 0.25176 1.00000
Cr18 Cr 0.24996 0.75000 0.74824 1.00000
Cr19 Cr 0.25000 0.75004 0.25176 1.00000
Cr20 Cr 0.75004 0.25000 0.74824 1.00000
Si1 Si 0.00000 0.00000 0.50000 1.00000
Si2 Si 0.00000 0.50000 0.08452 1.00000
Si3 Si 0.50000 0.00000 0.58223 1.00000
Si4 Si 0.00000 0.50000 0.41777 1.00000
Si5 Si 0.50000 0.00000 0.91548 1.00000
Si6 Si 0.33684 0.17045 0.24988 1.00000
Si7 Si 0.82955 0.66316 0.75012 1.00000
Si8 Si 0.66316 0.82955 0.24988 1.00000
Si9 Si 0.17045 0.33684 0.75012 1.00000
