ScZnGe
Alexandria ALEXAlex-ID: agm005663247 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_7752_spg40
Sc3(Zn2Ge)2 ScGe2
2023-06-18 10:07:51.454559
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005663247).
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 agm005663247
data_agm005663247
_cell_length_a 3.90355
_cell_length_b 5.31505
_cell_length_c 5.55332
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 111.54407
_cell_volume 107.16817
_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 0.18993 0.37987 0.75000 1.00000
Sc2 Sc 0.81007 0.62013 0.25000 1.00000
Zn1 Zn 0.50000 0.00000 0.50000 1.00000
Zn2 Zn 0.50000 0.00000 0.00000 1.00000
Ge1 Ge 0.11145 0.22291 0.25000 1.00000
Ge2 Ge 0.88855 0.77709 0.75000 1.00000
获取直接链接