NaN
Alexandria ALEXAlex-ID: agm005495012 · 空间群: Fddd (#70)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB_1824_spg70
NaN3 Na
2023-03-19 02:52:44.877691
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005495012).
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 agm005495012
data_agm005495012
_cell_length_a 6.62062
_cell_length_b 6.08357
_cell_length_c 6.04681
_cell_angle_alpha 66.15625
_cell_angle_beta 57.18848
_cell_angle_gamma 56.65527
_cell_volume 169.02023
_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 0.22876 0.22876 0.77124 1.00000
Na2 Na 0.77124 0.77124 0.22876 1.00000
Na3 Na 0.02124 0.02124 0.47876 1.00000
Na4 Na 0.47876 0.47876 0.02124 1.00000
N1 N 0.56372 0.43628 0.56372 1.00000
N2 N 0.43628 0.56372 0.43628 1.00000
N3 N 0.68628 0.81372 0.68628 1.00000
N4 N 0.81372 0.68628 0.81372 1.00000
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