Mn3C
Alexandria ALEXAlex-ID: agm005495014 · 空间群: I4/mmm (#139)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3_974_spg139
Mn23C6 C
2023-03-18 16:51:47.075449
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005495014).
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 agm005495014
data_agm005495014
_cell_length_a 8.24797
_cell_length_b 8.24797
_cell_length_c 8.24797
_cell_angle_alpha 157.80073
_cell_angle_beta 157.80073
_cell_angle_gamma 31.59739
_cell_volume 80.04052
_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 0.00000 0.50000 0.50000 1.00000
Mn2 Mn 0.50000 0.00000 0.50000 1.00000
Mn3 Mn 0.75000 0.25000 0.50000 1.00000
Mn4 Mn 0.25000 0.75000 0.50000 1.00000
Mn5 Mn 0.87422 0.87422 0.00000 1.00000
Mn6 Mn 0.12578 0.12578 0.00000 1.00000
C1 C 0.58684 0.58684 0.00000 1.00000
C2 C 0.41315 0.41315 0.00000 1.00000
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