MgSb6Os
Alexandria ALEXAlex-ID: agm005803754 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC6_89_spg12
Sb2Os Mg3Sb2 Sb
2023-07-24 23:26:26.394429
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005803754).
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
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# CIF generated by HEAS from Alexandria entry agm005803754
data_agm005803754
_cell_length_a 8.55640
_cell_length_b 8.55640
_cell_length_c 8.28536
_cell_angle_alpha 108.29441
_cell_angle_beta 108.31476
_cell_angle_gamma 113.06409
_cell_volume 458.75091
_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 0.00000 0.00000 0.50000 1.00000
Mg2 Mg 0.50000 0.50000 0.50000 1.00000
Sb1 Sb 0.14884 0.67607 0.82490 1.00000
Sb2 Sb 0.85116 0.32393 0.17510 1.00000
Sb3 Sb 0.85667 0.62337 0.48004 1.00000
Sb4 Sb 0.14333 0.37663 0.51996 1.00000
Sb5 Sb 0.80807 0.17131 0.66223 1.00000
Sb6 Sb 0.19193 0.82869 0.33777 1.00000
Sb7 Sb 0.49092 0.85416 0.66223 1.00000
Sb8 Sb 0.50908 0.14584 0.33777 1.00000
Sb9 Sb 0.63454 0.80339 0.12757 1.00000
Sb10 Sb 0.36546 0.19661 0.87243 1.00000
Sb11 Sb 0.67582 0.50697 0.87243 1.00000
Sb12 Sb 0.32418 0.49303 0.12757 1.00000
Os1 Os 0.00000 0.50000 0.00000 1.00000
Os2 Os 0.50000 0.00000 0.00000 1.00000
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