NiC2
Alexandria ALEXAlex-ID: agm005508945 · 空间群: I4_1/amd (#141)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2_1987_spg141
C Ni
2023-03-27 06:01:56
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005508945).
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 agm005508945
data_agm005508945
_cell_length_a 14.76327
_cell_length_b 14.76327
_cell_length_c 14.76327
_cell_angle_alpha 170.29388
_cell_angle_beta 170.29388
_cell_angle_gamma 13.74310
_cell_volume 91.45843
_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
Ni1 Ni 0.93903 0.93903 0.00000 1.00000
Ni2 Ni 0.06097 0.06097 1.00000 1.00000
Ni3 Ni 0.18903 0.68903 0.50000 1.00000
Ni4 Ni 0.31097 0.81097 0.50000 1.00000
C1 C 0.74936 0.74936 1.00000 1.00000
C2 C 0.25064 0.25064 0.00000 1.00000
C3 C 0.99936 0.49936 0.50000 1.00000
C4 C 0.50064 0.00064 0.50000 1.00000
C5 C 0.63777 0.63777 1.00000 1.00000
C6 C 0.36223 0.36223 0.00000 1.00000
C7 C 0.88777 0.38777 0.50000 1.00000
C8 C 0.61223 0.11223 0.50000 1.00000
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