MgSn2Os
Alexandria ALEXAlex-ID: agm002851024 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC2_317_spg122
MgSn4Os Mg2Sn Os
2016-12-19 01:27:00
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm002851024).
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 agm002851024
data_agm002851024
_cell_length_a 9.81044
_cell_length_b 9.81044
_cell_length_c 7.42934
_cell_angle_alpha 48.68108
_cell_angle_beta 48.68108
_cell_angle_gamma 90.00000
_cell_volume 255.95936
_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 0.50000 0.50000 0.00000 1.00000
Mg2 Mg 0.25000 0.75000 0.50000 1.00000
Os1 Os 0.00000 0.00000 0.00000 1.00000
Os2 Os 0.75000 0.25000 0.50000 1.00000
Sn1 Sn 0.87476 0.12500 0.25000 1.00000
Sn2 Sn 0.87524 0.62500 0.25000 1.00000
Sn3 Sn 0.37500 0.12524 0.75000 1.00000
Sn4 Sn 0.87500 0.12476 0.75000 1.00000
