Na2MnSe4
Alexandria ALEXAlex-ID: agm096437231 · 空间群: P1 (#1)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_134_spg38
MnSe2 NaSe
2025-04-10 22:37:51
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm096437231).
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 agm096437231
data_agm096437231
_cell_length_a 4.98239
_cell_length_b 5.56758
_cell_length_c 7.96399
_cell_angle_alpha 69.39078
_cell_angle_beta 78.21865
_cell_angle_gamma 84.67669
_cell_volume 202.37290
_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 0.20097 0.65727 0.90972 1.00000
Na2 Na 0.72058 0.40174 0.43075 1.00000
Mn1 Mn 0.53491 0.08161 0.03837 1.00000
Se1 Se 0.25734 0.74248 0.26398 1.00000
Se2 Se 0.72076 0.94440 0.78279 1.00000
Se3 Se 0.29802 0.23489 0.27701 1.00000
Se4 Se 0.76742 0.43761 0.79737 1.00000
获取直接链接