Sc2Al3Ge2
Alexandria ALEXAlex-ID: agm002196007 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B2C3_23_spg12
ScAl3 ScAlGe Ge
2018-06-29 15:57:18
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002196007).
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 agm002196007
data_agm002196007
_cell_length_a 3.96113
_cell_length_b 5.28964
_cell_length_c 6.51480
_cell_angle_alpha 97.30035
_cell_angle_beta 90.00663
_cell_angle_gamma 112.02260
_cell_volume 125.34897
_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 0.38919 0.77859 0.68859 1.00000
Sc2 Sc 0.61081 0.22141 0.31141 1.00000
Ge1 Ge 0.89392 0.78738 0.36814 1.00000
Ge2 Ge 0.10608 0.21262 0.63186 1.00000
Al1 Al 0.69851 0.39645 0.87205 1.00000
Al2 Al 0.00000 0.00000 0.00000 1.00000
Al3 Al 0.30149 0.60355 0.12795 1.00000
获取直接链接