Mn2Si4N7
Alexandria ALEXAlex-ID: agm005230102 · 空间群: Cmc2_1 (#36)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B4C7_65_spg36
Mn2N Si3N4 MnN
2023-05-10 16:06:29.029971
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005230102).
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 agm005230102
data_agm005230102
_cell_length_a 5.81526
_cell_length_b 5.81526
_cell_length_c 9.45706
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 119.06226
_cell_volume 279.54481
_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 0.68131 0.31869 0.73734 1.00000
Mn2 Mn 0.31869 0.68131 0.23734 1.00000
Mn3 Mn 0.39411 0.60589 0.81282 1.00000
Mn4 Mn 0.60589 0.39411 0.31282 1.00000
Si1 Si 0.99341 0.00659 0.81133 1.00000
Si2 Si 0.00659 0.99341 0.31133 1.00000
Si3 Si 0.66764 0.80957 0.54745 1.00000
Si4 Si 0.18865 0.81135 0.55621 1.00000
Si5 Si 0.19043 0.33236 0.54745 1.00000
Si6 Si 0.33236 0.19043 0.04745 1.00000
Si7 Si 0.81135 0.18865 0.05621 1.00000
Si8 Si 0.80957 0.66764 0.04745 1.00000
N1 N 0.50470 0.95780 0.62463 1.00000
N2 N 0.04220 0.49530 0.62463 1.00000
N3 N 0.51663 0.48337 0.60566 1.00000
N4 N 0.49530 0.04220 0.12463 1.00000
N5 N 0.95780 0.50470 0.12463 1.00000
N6 N 0.48337 0.51663 0.10566 1.00000
N7 N 0.31383 0.18826 0.86596 1.00000
N8 N 0.83120 0.16880 0.87454 1.00000
N9 N 0.81174 0.68617 0.86596 1.00000
N10 N 0.68617 0.81174 0.36596 1.00000
N11 N 0.16880 0.83120 0.37454 1.00000
N12 N 0.18826 0.31383 0.36596 1.00000
N13 N 0.01076 0.98924 0.61876 1.00000
N14 N 0.98924 0.01076 0.11876 1.00000
