Er4Sc2Al
Alexandria ALEXAlex-ID: agm003452017 · 空间群: R-3m (#166)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_847_spg8
Sc2Al Er
2022-02-16 01:28:34.479686
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003452017).
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 agm003452017
data_agm003452017
_cell_length_a 3.48062
_cell_length_b 3.48062
_cell_length_c 18.34001
_cell_angle_alpha 84.55493
_cell_angle_beta 84.55493
_cell_angle_gamma 60.00000
_cell_volume 191.25867
_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
Er1 Er 0.70856 0.70856 0.87431 1.00000
Er2 Er 0.90487 0.90487 0.28540 1.00000
Er3 Er 0.29144 0.29144 0.12569 1.00000
Er4 Er 0.09513 0.09513 0.71460 1.00000
Sc1 Sc 0.81056 0.81056 0.56831 1.00000
Sc2 Sc 0.18944 0.18944 0.43169 1.00000
Al1 Al 0.00000 0.00000 0.00000 1.00000
获取直接链接