Nd2Mn5Co12
Alexandria ALEXAlex-ID: agm005285577 · 空间群: P6_3/mmc (#194)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B5C12_1_spg194
Mn5Co Nd2MnCo16 NdCo
2024-10-06 02:32:26
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005285577).
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
加载 3D 结构...
# CIF generated by HEAS from Alexandria entry agm005285577
data_agm005285577
_cell_length_a 8.44904
_cell_length_b 8.44904
_cell_length_c 8.19973
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 120.00000
_cell_volume 506.92674
_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
Nd1 Nd 0.00000 0.00000 0.25000 1.00000
Nd2 Nd 0.00000 0.00000 0.75000 1.00000
Nd3 Nd 0.33333 0.66667 0.75000 1.00000
Nd4 Nd 0.66667 0.33333 0.25000 1.00000
Mn1 Mn 0.33333 0.66667 0.38764 1.00000
Mn2 Mn 0.66667 0.33333 0.61236 1.00000
Mn3 Mn 0.66667 0.33333 0.88764 1.00000
Mn4 Mn 0.33333 0.66667 0.11236 1.00000
Mn5 Mn 0.50000 0.00000 0.00000 1.00000
Mn6 Mn 0.00000 0.50000 0.00000 1.00000
Mn7 Mn 0.50000 0.50000 0.00000 1.00000
Mn8 Mn 0.50000 0.00000 0.50000 1.00000
Mn9 Mn 0.00000 0.50000 0.50000 1.00000
Mn10 Mn 0.50000 0.50000 0.50000 1.00000
Co1 Co 0.32710 0.37551 0.25000 1.00000
Co2 Co 0.62449 0.95159 0.25000 1.00000
Co3 Co 0.04841 0.67290 0.25000 1.00000
Co4 Co 0.62449 0.67290 0.25000 1.00000
Co5 Co 0.04841 0.37551 0.25000 1.00000
Co6 Co 0.32710 0.95159 0.25000 1.00000
Co7 Co 0.67290 0.62449 0.75000 1.00000
Co8 Co 0.37551 0.04841 0.75000 1.00000
Co9 Co 0.95159 0.32710 0.75000 1.00000
Co10 Co 0.37551 0.32710 0.75000 1.00000
Co11 Co 0.95159 0.62449 0.75000 1.00000
Co12 Co 0.67290 0.04841 0.75000 1.00000
Co13 Co 0.16531 0.83469 0.51294 1.00000
Co14 Co 0.16531 0.33062 0.51294 1.00000
Co15 Co 0.66938 0.83469 0.51294 1.00000
Co16 Co 0.83469 0.16531 0.48706 1.00000
Co17 Co 0.83469 0.66938 0.48706 1.00000
Co18 Co 0.33062 0.16531 0.48706 1.00000
Co19 Co 0.83469 0.16531 0.01294 1.00000
Co20 Co 0.83469 0.66938 0.01294 1.00000
Co21 Co 0.33062 0.16531 0.01294 1.00000
Co22 Co 0.16531 0.83469 0.98706 1.00000
Co23 Co 0.16531 0.33062 0.98706 1.00000
Co24 Co 0.66938 0.83469 0.98706 1.00000
