Sr3Re3N5
Alexandria ALEXAlex-ID: agm005248418 · 空间群: P-1 (#2)
基础信息
组成
能量与稳定性
电子结构
其他信息
A3B3C5_2_spg2
Sr2ReN3 SrReN3 Re
2023-05-09 03:52:07.182246
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005248418).
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 agm005248418
data_agm005248418
_cell_length_a 6.05650
_cell_length_b 7.09424
_cell_length_c 9.16208
_cell_angle_alpha 106.93061
_cell_angle_beta 103.48177
_cell_angle_gamma 94.83889
_cell_volume 361.28313
_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 0.81070 0.43018 0.61534 1.00000
Sr2 Sr 0.18930 0.56982 0.38466 1.00000
Sr3 Sr 0.64107 0.86686 0.88388 1.00000
Sr4 Sr 0.35893 0.13314 0.11612 1.00000
Sr5 Sr 0.66016 0.65475 0.20444 1.00000
Sr6 Sr 0.33984 0.34525 0.79556 1.00000
Re1 Re 0.89861 0.31608 0.96968 1.00000
Re2 Re 0.10139 0.68392 0.03032 1.00000
Re3 Re 0.68040 0.93166 0.56624 1.00000
Re4 Re 0.31960 0.06834 0.43376 1.00000
Re5 Re 0.10478 0.88976 0.69414 1.00000
Re6 Re 0.89522 0.11024 0.30586 1.00000
N1 N 0.90632 0.10763 0.78042 1.00000
N2 N 0.09368 0.89237 0.21958 1.00000
N3 N 0.86975 0.72117 0.49667 1.00000
N4 N 0.13025 0.27883 0.50333 1.00000
N5 N 0.75646 0.54262 0.92326 1.00000
N6 N 0.24354 0.45738 0.07674 1.00000
N7 N 0.37273 0.94407 0.61980 1.00000
N8 N 0.62727 0.05593 0.38020 1.00000
N9 N 0.15853 0.77516 0.86232 1.00000
N10 N 0.84147 0.22484 0.13768 1.00000
