Ac2SN2
Alexandria ALEXAlex-ID: agm003404497 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_127_spg15
Ac2SN2
2022-02-11 08:44:50.752933
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003404497).
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 agm003404497
data_agm003404497
_cell_length_a 4.36009
_cell_length_b 6.91780
_cell_length_c 7.48096
_cell_angle_alpha 100.76228
_cell_angle_beta 106.94251
_cell_angle_gamma 90.00000
_cell_volume 211.69648
_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
Ac1 Ac 0.85740 0.14544 0.28469 1.00000
Ac2 Ac 0.42730 0.64544 0.28469 1.00000
Ac3 Ac 0.14260 0.85456 0.71531 1.00000
Ac4 Ac 0.57270 0.35456 0.71531 1.00000
S1 S 0.77995 0.75000 1.00000 1.00000
S2 S 0.22005 0.25000 0.00000 1.00000
N1 N 0.91404 0.47107 0.55725 1.00000
N2 N 0.35680 0.02893 0.44275 1.00000
N3 N 0.08596 0.52893 0.44275 1.00000
N4 N 0.64320 0.97107 0.55725 1.00000
