MgAgSb
Alexandria ALEXAlex-ID: agm005267644 · 空间群: I-4c2 (#120)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_12722_spg120
MgAgSb
2023-05-09 19:49:47.667699
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005267644).
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 agm005267644
data_agm005267644
_cell_length_a 9.16262
_cell_length_b 9.16262
_cell_length_c 9.16262
_cell_angle_alpha 119.26464
_cell_angle_beta 119.26464
_cell_angle_gamma 91.27847
_cell_volume 549.82960
_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 0.40986 0.10954 0.74828 1.00000
Mg2 Mg 0.36126 0.66157 0.25172 1.00000
Mg3 Mg 0.86126 0.60954 0.69968 1.00000
Mg4 Mg 0.90986 0.16157 0.30032 1.00000
Mg5 Mg 0.89046 0.63874 0.30032 1.00000
Mg6 Mg 0.33843 0.59014 0.69968 1.00000
Mg7 Mg 0.39046 0.09014 0.25172 1.00000
Mg8 Mg 0.83843 0.13874 0.74828 1.00000
Ag1 Ag 0.25000 0.25000 0.00000 1.00000
Ag2 Ag 0.75000 0.75000 0.00000 1.00000
Ag3 Ag 0.50000 0.50000 0.00000 1.00000
Ag4 Ag 0.00000 0.00000 0.00000 1.00000
Ag5 Ag 0.02596 0.02596 0.55192 1.00000
Ag6 Ag 0.47404 0.47404 0.44808 1.00000
Ag7 Ag 0.97404 0.52596 0.00000 1.00000
Ag8 Ag 0.52596 0.97404 0.00000 1.00000
Sb1 Sb 0.15284 0.90709 0.29134 1.00000
Sb2 Sb 0.61575 0.86150 0.70866 1.00000
Sb3 Sb 0.11575 0.40709 0.75426 1.00000
Sb4 Sb 0.65284 0.36150 0.24574 1.00000
Sb5 Sb 0.09291 0.38425 0.24574 1.00000
Sb6 Sb 0.13850 0.84716 0.75426 1.00000
Sb7 Sb 0.59291 0.34716 0.70866 1.00000
Sb8 Sb 0.63850 0.88425 0.29134 1.00000
