Sr19In8N7
Alexandria ALEXAlex-ID: agm003242530 · 空间群: Fm-3m (#225)
基础信息
组成
能量与稳定性
电子结构
其他信息
A7B8C19_0_spg225
Sr19In8N7
2021-12-26 15:32:21.434739
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003242530).
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 agm003242530
data_agm003242530
_cell_length_a 11.13900
_cell_length_b 11.13900
_cell_length_c 11.13900
_cell_angle_alpha 60.00000
_cell_angle_beta 60.00000
_cell_angle_gamma 60.00000
_cell_volume 977.28911
_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
Sr1 Sr 0.16673 0.83327 0.16673 1.00000
Sr2 Sr 0.82935 0.50000 0.17065 1.00000
Sr3 Sr 0.82935 0.50000 0.50000 1.00000
Sr4 Sr 0.83327 0.16673 0.16673 1.00000
Sr5 Sr 0.82935 0.17065 0.50000 1.00000
Sr6 Sr 0.83327 0.16673 0.83327 1.00000
Sr7 Sr 0.17065 0.50000 0.82935 1.00000
Sr8 Sr 0.50000 0.50000 0.82935 1.00000
Sr9 Sr 0.16673 0.16673 0.83327 1.00000
Sr10 Sr 0.50000 0.50000 0.17065 1.00000
Sr11 Sr 0.50000 0.17065 0.50000 1.00000
Sr12 Sr 0.50000 0.82935 0.50000 1.00000
Sr13 Sr 0.17065 0.82935 0.50000 1.00000
Sr14 Sr 0.17065 0.50000 0.50000 1.00000
Sr15 Sr 0.50000 0.50000 0.50000 1.00000
Sr16 Sr 0.16673 0.83327 0.83327 1.00000
Sr17 Sr 0.50000 0.17065 0.82935 1.00000
Sr18 Sr 0.50000 0.82935 0.17065 1.00000
Sr19 Sr 0.83327 0.83327 0.16673 1.00000
In1 In 0.17811 0.17811 0.46566 1.00000
In2 In 0.82189 0.82189 0.53434 1.00000
In3 In 0.82189 0.53434 0.82189 1.00000
In4 In 0.17811 0.46566 0.17811 1.00000
In5 In 0.17811 0.17811 0.17811 1.00000
In6 In 0.46566 0.17811 0.17811 1.00000
In7 In 0.82189 0.82189 0.82189 1.00000
In8 In 0.53434 0.82189 0.82189 1.00000
N1 N 0.32598 0.32598 0.67402 1.00000
N2 N 0.67402 0.67402 0.32598 1.00000
N3 N 0.67402 0.32598 0.67402 1.00000
N4 N 0.32598 0.67402 0.32598 1.00000
N5 N 0.67402 0.32598 0.32598 1.00000
N6 N 0.32598 0.67402 0.67402 1.00000
N7 N 0.00000 0.00000 0.00000 1.00000
