Mn2Zn6Cu
Alexandria ALEXAlex-ID: agm005668290 · 空间群: Immm (#71)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C6_636_spg71
Zn35Cu17 MnZn3 Mn
2023-07-08 17:31:00.073278
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005668290).
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 agm005668290
data_agm005668290
_cell_length_a 2.69689
_cell_length_b 7.27719
_cell_length_c 7.59333
_cell_angle_alpha 118.63206
_cell_angle_beta 100.22896
_cell_angle_gamma 90.00000
_cell_volume 128.09661
_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 0.84928 0.84928 0.69856 1.00000
Mn2 Mn 0.15072 0.15072 0.30144 1.00000
Zn1 Zn 0.67105 0.84430 0.34209 1.00000
Zn2 Zn 0.32895 0.15570 0.65791 1.00000
Zn3 Zn 0.32895 0.50221 0.65791 1.00000
Zn4 Zn 0.50000 0.17603 1.00000 1.00000
Zn5 Zn 0.50000 0.82397 0.00000 1.00000
Zn6 Zn 0.67105 0.49779 0.34209 1.00000
Cu1 Cu 0.00000 0.50000 0.00000 1.00000
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