Zn2NiN2
Alexandria ALEXAlex-ID: agm005505535 · 空间群: C2/m (#12)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C2_1069_spg12
Zn53Ni16 ZnNi N2
2023-03-20 11:46:22.790720
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005505535).
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
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# CIF generated by HEAS from Alexandria entry agm005505535
data_agm005505535
_cell_length_a 5.94895
_cell_length_b 5.94895
_cell_length_c 7.27078
_cell_angle_alpha 59.52617
_cell_angle_beta 59.52617
_cell_angle_gamma 34.97913
_cell_volume 124.93001
_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
Zn1 Zn 0.65852 0.65852 0.99076 1.00000
Zn2 Zn 0.34148 0.34148 0.00924 1.00000
Zn3 Zn 0.09593 0.09593 0.70192 1.00000
Zn4 Zn 0.90407 0.90407 0.29808 1.00000
Ni1 Ni 0.38212 0.38212 0.61283 1.00000
Ni2 Ni 0.61788 0.61788 0.38717 1.00000
N1 N 0.19828 0.19828 0.85562 1.00000
N2 N 0.80172 0.80172 0.14438 1.00000
N3 N 0.47864 0.47864 0.31536 1.00000
N4 N 0.52136 0.52136 0.68464 1.00000
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