Sm3I7N
Alexandria ALEXAlex-ID: agm003584658 · 空间群: P3m1 (#156)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C7_0_spg156
Sm2I3N IN4 SmI3
2022-04-03 00:28:28.116004
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003584658).
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 agm003584658
data_agm003584658
_cell_length_a 8.14013
_cell_length_b 8.46560
_cell_length_c 8.46560
_cell_angle_alpha 120.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 505.21715
_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
Sm1 Sm 0.75947 0.47966 0.52034 1.00000
Sm2 Sm 0.75947 0.47966 0.95932 1.00000
Sm3 Sm 0.75947 0.04068 0.52034 1.00000
I1 I 0.01100 0.15976 0.84024 1.00000
I2 I 0.01100 0.15976 0.31952 1.00000
I3 I 0.99007 0.66667 0.33333 1.00000
I4 I 0.53894 0.83455 0.16545 1.00000
I5 I 0.53894 0.33091 0.16545 1.00000
I6 I 0.53894 0.83455 0.66909 1.00000
I7 I 0.01100 0.68048 0.84024 1.00000
N1 N 0.69678 0.33333 0.66667 1.00000
获取直接链接