Mg4Si7
Alexandria ALEXAlex-ID: agm005228849 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
A4B7_55_spg8
Mg2Si Si
2023-05-09 01:22:19.865123
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005228849).
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 agm005228849
data_agm005228849
_cell_length_a 12.78819
_cell_length_b 12.78819
_cell_length_c 8.86038
_cell_angle_alpha 83.98004
_cell_angle_beta 83.98004
_cell_angle_gamma 16.17016
_cell_volume 401.26519
_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 0.60575 0.60575 0.94273 1.00000
Mg2 Mg 0.84671 0.84671 0.29168 1.00000
Mg3 Mg 0.44811 0.44811 0.16807 1.00000
Mg4 Mg 0.27712 0.27712 0.58568 1.00000
Mg5 Mg 0.69498 0.69498 0.45512 1.00000
Mg6 Mg 0.00896 0.00896 0.65055 1.00000
Mg7 Mg 0.39722 0.39722 0.61698 1.00000
Mg8 Mg 0.30099 0.30099 0.99893 1.00000
Si1 Si 0.14614 0.14614 0.18317 1.00000
Si2 Si 0.60297 0.60297 0.62774 1.00000
Si3 Si 0.01438 0.01438 0.95455 1.00000
Si4 Si 0.10035 0.10035 0.44425 1.00000
Si5 Si 0.82158 0.82158 0.76380 1.00000
Si6 Si 0.88901 0.88901 0.95628 1.00000
Si7 Si 0.52041 0.52041 0.38116 1.00000
Si8 Si 0.17604 0.17604 0.74144 1.00000
Si9 Si 0.70957 0.70957 0.13380 1.00000
Si10 Si 0.04956 0.04956 0.19386 1.00000
Si11 Si 0.94542 0.94542 0.40972 1.00000
Si12 Si 0.26169 0.26169 0.28629 1.00000
Si13 Si 0.72649 0.72649 0.85022 1.00000
Si14 Si 0.45216 0.45216 0.86765 1.00000
