MnZnSb
Alexandria ALEXAlex-ID: agm005704697 · 空间群: P4_2/mmc (#131)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC_228_spg51
MnZnSb
2023-06-17 20:43:59.207545
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005704697).
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 agm005704697
data_agm005704697
_cell_length_a 4.49429
_cell_length_b 4.49461
_cell_length_c 5.59400
_cell_angle_alpha 90.00423
_cell_angle_beta 89.99886
_cell_angle_gamma 89.99673
_cell_volume 112.99934
_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
Mn1 Mn 0.77242 0.59859 0.98645 1.00000
Mn2 Mn 0.77242 0.59859 0.48645 1.00000
Zn1 Zn 0.27238 0.59864 0.23644 1.00000
Zn2 Zn 0.77255 0.09862 0.73647 1.00000
Sb1 Sb 0.27247 0.59859 0.73642 1.00000
Sb2 Sb 0.77228 0.09852 0.23645 1.00000
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