Mn2Cu3Ni
Alexandria ALEXAlex-ID: agm017348900 · 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
AB2C3_1834_spg12
Mn3Ni5 Mn Cu
2025-04-14 03:47:19
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017348900).
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 agm017348900
data_agm017348900
_cell_length_a 6.98059
_cell_length_b 6.98059
_cell_length_c 7.66912
_cell_angle_alpha 56.70712
_cell_angle_beta 123.29288
_cell_angle_gamma 151.11675
_cell_volume 148.71052
_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 0.42163 0.57837 0.55262 1.00000
Mn2 Mn 0.57837 0.42163 0.44738 1.00000
Mn3 Mn 0.75168 0.24832 0.87050 1.00000
Mn4 Mn 0.24832 0.75168 0.12950 1.00000
Cu1 Cu 0.25107 0.74893 0.62256 1.00000
Cu2 Cu 0.91892 0.08108 0.79599 1.00000
Cu3 Cu 0.58238 0.41762 0.95645 1.00000
Cu4 Cu 0.41762 0.58238 0.04355 1.00000
Cu5 Cu 0.08108 0.91892 0.20401 1.00000
Cu6 Cu 0.74893 0.25107 0.37744 1.00000
Ni1 Ni 0.91064 0.08936 0.29027 1.00000
Ni2 Ni 0.08936 0.91064 0.70973 1.00000
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