AcSiNiN
Alexandria ALEXAlex-ID: agm005209290 · 空间群: P4/nmm (#129)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABCD_1536_spg129
AcSiNiN
2022-07-10 15:44:31.973671
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005209290).
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 agm005209290
data_agm005209290
_cell_length_a 3.96276
_cell_length_b 3.96276
_cell_length_c 8.41592
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 132.15937
_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 0.00000 0.50000 0.83316 1.00000
Ac2 Ac 0.50000 0.00000 0.16684 1.00000
Si1 Si 0.00000 0.50000 0.35634 1.00000
Si2 Si 0.50000 0.00000 0.64366 1.00000
Ni1 Ni 0.00000 0.00000 0.50000 1.00000
Ni2 Ni 0.50000 0.50000 0.50000 1.00000
N1 N 0.50000 0.00000 0.85644 1.00000
N2 N 0.00000 0.50000 0.14356 1.00000
