Mg3Si4
Alexandria ALEXAlex-ID: agm005245992 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B4_194_spg8
Mg2Si Si
2023-05-06 17:04:28.286905
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005245992).
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 agm005245992
data_agm005245992
_cell_length_a 4.33321
_cell_length_b 7.85498
_cell_length_c 7.92801
_cell_angle_alpha 92.75697
_cell_angle_beta 102.45274
_cell_angle_gamma 103.90449
_cell_volume 254.35327
_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
Mg1 Mg 0.74838 0.98999 0.44746 1.00000
Mg2 Mg 0.12692 0.68005 0.48778 1.00000
Mg3 Mg 0.21440 0.61984 0.90828 1.00000
Mg4 Mg 0.06072 0.21715 0.90876 1.00000
Mg5 Mg 0.30169 0.32977 0.32720 1.00000
Mg6 Mg 0.05381 0.88596 0.14305 1.00000
Si1 Si 0.56538 0.46666 0.73921 1.00000
Si2 Si 0.42420 0.97172 0.85976 1.00000
Si3 Si 0.53785 0.66537 0.24721 1.00000
Si4 Si 0.70943 0.45849 0.06377 1.00000
Si5 Si 0.78037 0.80896 0.75287 1.00000
Si6 Si 0.94454 0.34885 0.59906 1.00000
Si7 Si 0.38547 0.15074 0.62302 1.00000
Si8 Si 0.64683 0.15287 0.13923 1.00000
获取直接链接