Na7RuN3
Alexandria ALEXAlex-ID: agm005990197 · 空间群: Cm (#8)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB3C7_23_spg8
Na Ru NaN3
2023-08-12 05:38:50.773636
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005990197).
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 agm005990197
data_agm005990197
_cell_length_a 6.94828
_cell_length_b 6.93255
_cell_length_c 7.04754
_cell_angle_alpha 75.87868
_cell_angle_beta 60.46486
_cell_angle_gamma 59.92492
_cell_volume 255.59463
_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
Na1 Na 0.31090 0.92917 0.44902 1.00000
Na2 Na 0.29901 0.57637 0.82560 1.00000
Na3 Na 0.84537 0.93537 0.37390 1.00000
Na4 Na 0.28072 0.07724 0.85735 1.00000
Na5 Na 0.78469 0.07724 0.85735 1.00000
Na6 Na 0.36256 0.42544 0.33825 1.00000
Na7 Na 0.87376 0.42544 0.33825 1.00000
Ru1 Ru 0.85952 0.58402 0.69694 1.00000
N1 N 0.02959 0.28815 0.65266 1.00000
N2 N 0.59239 0.73206 0.63974 1.00000
N3 N 0.03581 0.73206 0.63974 1.00000
获取直接链接