CePa4N5
Alexandria ALEXAlex-ID: agm006132467 · 空间群: I4/m (#87)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB4C5_149_spg79
CePa5N6 CePaN2
2023-10-17 17:44:03
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006132467).
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 agm006132467
data_agm006132467
_cell_length_a 4.97606
_cell_length_b 6.08224
_cell_length_c 6.08224
_cell_angle_alpha 80.36714
_cell_angle_beta 65.85389
_cell_angle_gamma 65.85389
_cell_volume 153.27955
_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 0.00105 0.00000 0.00000 1.00000
Pa1 Pa 0.39941 0.40055 0.80268 1.00000
Pa2 Pa 0.79997 0.80268 0.59945 1.00000
Pa3 Pa 0.20209 0.19732 0.40055 1.00000
Pa4 Pa 0.60264 0.59945 0.19732 1.00000
N1 N 0.89901 0.41007 0.79392 1.00000
N2 N 0.30908 0.79392 0.58993 1.00000
N3 N 0.69293 0.20608 0.41007 1.00000
N4 N 0.10300 0.58993 0.20608 1.00000
N5 N 0.50111 0.00000 0.00000 1.00000
