Sc11Ge10
Alexandria ALEXAlex-ID: agm005273378 · 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
A10B11_0_spg139
ScGe Sc5Ge4
2024-10-09 02:57:23
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005273378).
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 agm005273378
data_agm005273378
_cell_length_a 10.57237
_cell_length_b 10.57237
_cell_length_c 10.57237
_cell_angle_alpha 121.55604
_cell_angle_beta 121.55604
_cell_angle_gamma 87.32534
_cell_volume 814.98778
_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
Sc1 Sc 0.81109 0.06288 0.25179 1.00000
Sc2 Sc 0.81109 0.55929 0.74821 1.00000
Sc3 Sc 0.06288 0.81109 0.25179 1.00000
Sc4 Sc 0.55929 0.81109 0.74821 1.00000
Sc5 Sc 0.18891 0.93712 0.74821 1.00000
Sc6 Sc 0.18891 0.44071 0.25179 1.00000
Sc7 Sc 0.93712 0.18891 0.74821 1.00000
Sc8 Sc 0.44071 0.18891 0.25179 1.00000
Sc9 Sc 0.17534 0.17534 0.35067 1.00000
Sc10 Sc 0.82466 0.82466 0.64933 1.00000
Sc11 Sc 0.17534 0.82466 0.00000 1.00000
Sc12 Sc 0.82466 0.17534 0.00000 1.00000
Sc13 Sc 0.66461 0.66461 0.00000 1.00000
Sc14 Sc 0.33539 0.33539 0.00000 1.00000
Sc15 Sc 0.60217 0.93174 0.32957 1.00000
Sc16 Sc 0.60217 0.27260 0.67043 1.00000
Sc17 Sc 0.93174 0.60217 0.32957 1.00000
Sc18 Sc 0.27260 0.60217 0.67043 1.00000
Sc19 Sc 0.39783 0.06826 0.67043 1.00000
Sc20 Sc 0.39783 0.72740 0.32957 1.00000
Sc21 Sc 0.06826 0.39783 0.67043 1.00000
Sc22 Sc 0.72740 0.39783 0.32957 1.00000
Ge1 Ge 0.35662 0.00000 0.35662 1.00000
Ge2 Ge 0.64338 0.00000 0.64338 1.00000
Ge3 Ge 0.00000 0.64338 0.64338 1.00000
Ge4 Ge 0.00000 0.35662 0.35662 1.00000
Ge5 Ge 0.88670 0.88670 0.00000 1.00000
Ge6 Ge 0.11330 0.11330 0.00000 1.00000
Ge7 Ge 0.37368 0.37368 0.74736 1.00000
Ge8 Ge 0.62632 0.62632 0.25264 1.00000
Ge9 Ge 0.37368 0.62632 0.00000 1.00000
Ge10 Ge 0.62632 0.37368 0.00000 1.00000
Ge11 Ge 0.75000 0.25000 0.50000 1.00000
Ge12 Ge 0.25000 0.75000 0.50000 1.00000
Ge13 Ge 0.88416 0.88416 0.41272 1.00000
Ge14 Ge 0.47143 0.47143 0.58728 1.00000
Ge15 Ge 0.88416 0.47143 0.00000 1.00000
Ge16 Ge 0.47143 0.88416 0.00000 1.00000
Ge17 Ge 0.11584 0.11584 0.58728 1.00000
Ge18 Ge 0.52857 0.52857 0.41272 1.00000
Ge19 Ge 0.11584 0.52857 0.00000 1.00000
Ge20 Ge 0.52857 0.11584 0.00000 1.00000
