AcNp2CoN4
Alexandria ALEXAlex-ID: agm019861326 · 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
ABC2D4_128_spg63
AcNpN3 NpN Co
2024-09-30 16:40:45.960450
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm019861326).
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 agm019861326
data_agm019861326
_cell_length_a 6.03617
_cell_length_b 6.03617
_cell_length_c 11.42821
_cell_angle_alpha 90.00000
_cell_angle_beta 90.00000
_cell_angle_gamma 146.28578
_cell_volume 231.11824
_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 0.39938 0.60062 0.25000 1.00000
Ac2 Ac 0.60062 0.39938 0.75000 1.00000
Np1 Np 0.13148 0.86852 0.05645 1.00000
Np2 Np 0.86852 0.13148 0.55645 1.00000
Np3 Np 0.86852 0.13148 0.94355 1.00000
Np4 Np 0.13148 0.86852 0.44355 1.00000
Co1 Co 0.66404 0.33596 0.25000 1.00000
Co2 Co 0.33596 0.66404 0.75000 1.00000
N1 N 0.24034 0.75966 0.60692 1.00000
N2 N 0.75966 0.24034 0.10692 1.00000
N3 N 0.75966 0.24034 0.39308 1.00000
N4 N 0.24034 0.75966 0.89308 1.00000
N5 N 0.50000 0.50000 0.00000 1.00000
N6 N 0.50000 0.50000 0.50000 1.00000
N7 N 0.07197 0.92803 0.25000 1.00000
N8 N 0.92803 0.07197 0.75000 1.00000
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