CeNp2N3
Alexandria ALEXAlex-ID: agm017013239 · 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
AB2C3_144_spg12
CeNpN2 NpN
2024-12-19 10:14:48
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm017013239).
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 agm017013239
data_agm017013239
_cell_length_a 6.03704
_cell_length_b 6.03704
_cell_length_c 6.05647
_cell_angle_alpha 80.43644
_cell_angle_beta 99.56356
_cell_angle_gamma 60.01588
_cell_volume 180.33313
_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
Ce1 Ce 0.66638 0.66638 0.50000 1.00000
Ce2 Ce 0.33362 0.33362 0.50000 1.00000
Np1 Np 0.50000 0.50000 0.00000 1.00000
Np2 Np 0.00000 0.00000 0.50000 1.00000
Np3 Np 0.83229 0.83229 0.00000 1.00000
Np4 Np 0.16771 0.16771 0.00000 1.00000
N1 N 0.76669 0.23331 0.76667 1.00000
N2 N 0.23331 0.76669 0.23333 1.00000
N3 N 0.08828 0.58994 0.76519 1.00000
N4 N 0.41006 0.91172 0.76519 1.00000
N5 N 0.58994 0.08828 0.23481 1.00000
N6 N 0.91172 0.41006 0.23481 1.00000
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