Mn2CuNi3
Alexandria ALEXAlex-ID: agm017209544 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1797_spg2
Mn3Ni5 Mn Cu
2025-04-14 03:39:16
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017209544).
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 agm017209544
data_agm017209544
_cell_length_a 5.05585
_cell_length_b 3.71695
_cell_length_c 7.61626
_cell_angle_alpha 90.00000
_cell_angle_beta 92.35062
_cell_angle_gamma 90.00000
_cell_volume 143.00675
_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 0.86047 0.25000 0.09042 1.00000
Mn2 Mn 0.13953 0.75000 0.90958 1.00000
Mn3 Mn 0.64970 0.75000 0.59488 1.00000
Mn4 Mn 0.35030 0.25000 0.40512 1.00000
Cu1 Cu 0.39295 0.25000 0.74873 1.00000
Cu2 Cu 0.60705 0.75000 0.25127 1.00000
Ni1 Ni 0.63673 0.75000 0.92076 1.00000
Ni2 Ni 0.36327 0.25000 0.07924 1.00000
Ni3 Ni 0.10447 0.75000 0.24643 1.00000
Ni4 Ni 0.89553 0.25000 0.75357 1.00000
Ni5 Ni 0.86093 0.25000 0.42152 1.00000
Ni6 Ni 0.13907 0.75000 0.57848 1.00000
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