Ac4SnN2
Alexandria ALEXAlex-ID: agm003452000 · 空间群: Cmcm (#63)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C4_972_spg63
Ac5Sn3N Ac AcN
2022-02-18 07:54:46.167558
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm003452000).
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 agm003452000
data_agm003452000
_cell_length_a 4.14124
_cell_length_b 7.07785
_cell_length_c 13.97203
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 107.01066
_cell_volume 391.61835
_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 0.76249 0.52498 0.10296 1.00000
Ac2 Ac 0.76249 0.52498 0.39704 1.00000
Ac3 Ac 0.23751 0.47502 0.89704 1.00000
Ac4 Ac 0.23751 0.47502 0.60296 1.00000
Ac5 Ac 0.91442 0.82883 0.75000 1.00000
Ac6 Ac 0.08558 0.17117 0.25000 1.00000
Ac7 Ac 0.50000 0.00000 0.00000 1.00000
Ac8 Ac 0.50000 0.00000 0.50000 1.00000
Sn1 Sn 0.60568 0.21136 0.75000 1.00000
Sn2 Sn 0.39432 0.78864 0.25000 1.00000
N1 N 0.14002 0.28004 0.44225 1.00000
N2 N 0.85998 0.71996 0.94225 1.00000
N3 N 0.14002 0.28004 0.05775 1.00000
N4 N 0.85998 0.71996 0.55775 1.00000
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