Sr8As2N3
Alexandria ALEXAlex-ID: agm003356017 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
A2B3C8_9_spg12
Sr3AsN Sr2N
2022-02-03 08:37:35.400902
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003356017).
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
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# CIF generated by HEAS from Alexandria entry agm003356017
data_agm003356017
_cell_length_a 6.84246
_cell_length_b 7.88676
_cell_length_c 8.54577
_cell_angle_alpha 117.48022
_cell_angle_beta 106.61079
_cell_angle_gamma 90.00000
_cell_volume 387.31517
_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 0.94878 0.60489 0.20978 1.00000
Sr2 Sr 0.05122 0.39511 0.79022 1.00000
Sr3 Sr 0.90228 0.09517 0.19035 1.00000
Sr4 Sr 0.09772 0.90483 0.80965 1.00000
Sr5 Sr 0.60391 0.66827 0.79296 1.00000
Sr6 Sr 0.60391 0.12469 0.79296 1.00000
Sr7 Sr 0.39609 0.87531 0.20704 1.00000
Sr8 Sr 0.39609 0.33173 0.20704 1.00000
As1 As 0.32080 0.26346 0.52693 1.00000
As2 As 0.67920 0.73654 0.47307 1.00000
N1 N 0.50000 0.00000 0.00000 1.00000
N2 N 0.00000 0.25568 0.00000 1.00000
N3 N 1.00000 0.74432 1.00000 1.00000
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