Ac2MgSi3
Alexandria ALEXAlex-ID: agm017358510 · 空间群: Pmm2 (#25)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_50_spg38
Ac2MgSi2 Ac3Si5 Ac(MgSi)2
2025-04-13 16:41:13
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017358510).
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 agm017358510
data_agm017358510
_cell_length_a 4.44667
_cell_length_b 4.60949
_cell_length_c 7.45992
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 152.90499
_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 0.50000 0.00000 0.01225 1.00000
Ac2 Ac 0.00000 0.00000 0.48317 1.00000
Mg1 Mg 0.50000 0.50000 0.66939 1.00000
Si1 Si 0.00000 0.50000 0.16997 1.00000
Si2 Si 0.00000 0.50000 0.84908 1.00000
Si3 Si 0.50000 0.50000 0.31615 1.00000
获取直接链接