KCe2N3
Alexandria ALEXAlex-ID: agm005806005 · 空间群: P2_1/m (#11)
基础信息
组成
能量与稳定性
电子结构
其他信息
AB2C3_1152_spg11
Ce3N4 K KN3
2023-08-23 20:51:18.186486
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005806005).
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 agm005806005
data_agm005806005
_cell_length_a 3.59510
_cell_length_b 6.38800
_cell_length_c 9.27976
_cell_angle_alpha 103.85054
_cell_angle_beta 90.00000
_cell_angle_gamma 90.00000
_cell_volume 206.91808
_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
K1 K 0.25000 0.52655 0.84154 1.00000
K2 K 0.75000 0.47345 0.15846 1.00000
Ce1 Ce 0.25000 0.75196 0.49290 1.00000
Ce2 Ce 0.75000 0.24804 0.50710 1.00000
Ce3 Ce 0.75000 0.00862 0.83450 1.00000
Ce4 Ce 0.25000 0.99138 0.16550 1.00000
N1 N 0.75000 0.67405 0.63083 1.00000
N2 N 0.25000 0.32595 0.36917 1.00000
N3 N 0.75000 0.90381 0.35981 1.00000
N4 N 0.25000 0.09619 0.64019 1.00000
N5 N 0.25000 0.16324 0.97905 1.00000
N6 N 0.75000 0.83676 0.02095 1.00000
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