Ac3Er2In3
Alexandria ALEXAlex-ID: agm003329082 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C3_128_spg71
Ac2Er3In4 Er2In Ac4ErIn3
2022-01-22 19:59:20.602435
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003329082).
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 agm003329082
data_agm003329082
_cell_length_a 3.99838
_cell_length_b 5.74587
_cell_length_c 12.25021
_cell_angle_alpha 103.56340
_cell_angle_beta 99.39248
_cell_angle_gamma 90.00000
_cell_volume 269.70672
_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
Ac1 Ac 0.62426 0.62426 0.24851 1.00000
Ac2 Ac 0.37574 0.37574 0.75149 1.00000
Ac3 Ac 0.50000 0.00000 0.00000 1.00000
Er1 Er 0.73610 0.23610 0.47220 1.00000
Er2 Er 0.26390 0.76390 0.52780 1.00000
In1 In 0.13033 0.13033 0.26067 1.00000
In2 In 0.00000 0.50000 0.00000 1.00000
In3 In 0.86967 0.86967 0.73933 1.00000
获取直接链接