Y11(In3Si2)2
Alexandria ALEXAlex-ID: agm005288250 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B6C11_0_spg139
Y11(In3Si2)2
2023-04-19 20:26:40.278038
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005288250).
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 agm005288250
data_agm005288250
_cell_length_a 11.49090
_cell_length_b 11.49090
_cell_length_c 11.49090
_cell_angle_alpha 120.00757
_cell_angle_beta 120.00757
_cell_angle_gamma 89.98689
_cell_volume 1072.74709
_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
Y1 Y 0.68537 0.93570 0.25033 1.00000
Y2 Y 0.68537 0.43505 0.74967 1.00000
Y3 Y 0.93570 0.68537 0.25033 1.00000
Y4 Y 0.43505 0.68537 0.74967 1.00000
Y5 Y 0.31463 0.06430 0.74967 1.00000
Y6 Y 0.31463 0.56495 0.25033 1.00000
Y7 Y 0.06430 0.31463 0.74967 1.00000
Y8 Y 0.56495 0.31463 0.25033 1.00000
Y9 Y 0.89879 0.24639 0.34760 1.00000
Y10 Y 0.89879 0.55119 0.65240 1.00000
Y11 Y 0.24639 0.89879 0.34760 1.00000
Y12 Y 0.55119 0.89879 0.65240 1.00000
Y13 Y 0.10121 0.75361 0.65240 1.00000
Y14 Y 0.10121 0.44881 0.34760 1.00000
Y15 Y 0.75361 0.10121 0.65240 1.00000
Y16 Y 0.44881 0.10121 0.34760 1.00000
Y17 Y 0.33301 0.33301 0.66601 1.00000
Y18 Y 0.66699 0.66699 0.33399 1.00000
Y19 Y 0.33301 0.66699 0.00000 1.00000
Y20 Y 0.66699 0.33301 0.00000 1.00000
Y21 Y 0.83109 0.83109 0.00000 1.00000
Y22 Y 0.16891 0.16891 0.00000 1.00000
In1 In 0.03538 0.03538 0.41249 1.00000
In2 In 0.62289 0.62289 0.58751 1.00000
In3 In 0.03538 0.62289 0.00000 1.00000
In4 In 0.62289 0.03538 0.00000 1.00000
In5 In 0.96462 0.96462 0.58751 1.00000
In6 In 0.37711 0.37711 0.41249 1.00000
In7 In 0.96462 0.37711 0.00000 1.00000
In8 In 0.37711 0.96462 0.00000 1.00000
In9 In 0.12887 0.12887 0.25774 1.00000
In10 In 0.87113 0.87113 0.74226 1.00000
In11 In 0.12887 0.87113 0.00000 1.00000
In12 In 0.87113 0.12887 0.00000 1.00000
Si1 Si 0.15291 0.50000 0.65291 1.00000
Si2 Si 0.84709 0.50000 0.34709 1.00000
Si3 Si 0.50000 0.84709 0.34709 1.00000
Si4 Si 0.50000 0.15291 0.65291 1.00000
Si5 Si 0.62043 0.62043 0.00000 1.00000
Si6 Si 0.37957 0.37957 0.00000 1.00000
Si7 Si 0.75000 0.25000 0.50000 1.00000
Si8 Si 0.25000 0.75000 0.50000 1.00000
