Sc3ZnC
Alexandria ALEXAlex-ID: agm003052002 · 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
ABC3_1581_spg12
Sc3ZnC
2016-01-20 10:25:07
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003052002).
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 agm003052002
data_agm003052002
_cell_length_a 14.94783
_cell_length_b 6.10590
_cell_length_c 6.10590
_cell_angle_alpha 148.07217
_cell_angle_beta 142.13143
_cell_angle_gamma 37.86857
_cell_volume 168.22790
_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 0.36601 0.67660 0.32340 1.00000
Sc2 Sc 0.63399 0.32340 0.67660 1.00000
Sc3 Sc 0.14530 0.27754 0.72246 1.00000
Sc4 Sc 0.85470 0.72246 0.27754 1.00000
Sc5 Sc 0.65051 0.58240 0.41760 1.00000
Sc6 Sc 0.34949 0.41760 0.58240 1.00000
Zn1 Zn 0.91145 0.91219 0.08781 1.00000
Zn2 Zn 0.08855 0.08781 0.91219 1.00000
C1 C 0.58278 0.02785 0.97215 1.00000
C2 C 0.41722 0.97215 0.02785 1.00000
