Ce2Y5N5
Alexandria ALEXAlex-ID: agm005646868 · 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
A2B5C5_86_spg12
Ce YN
2023-06-19 05:19:04.051579
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005646868).
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 agm005646868
data_agm005646868
_cell_length_a 3.38278
_cell_length_b 6.07154
_cell_length_c 12.44463
_cell_angle_alpha 106.48318
_cell_angle_beta 90.00000
_cell_angle_gamma 106.17525
_cell_volume 234.52123
_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 0.05501 0.11002 0.79611 1.00000
Ce2 Ce 0.94499 0.88998 0.20389 1.00000
Y1 Y 0.50000 0.00000 0.50000 1.00000
Y2 Y 0.64943 0.29886 0.06019 1.00000
Y3 Y 0.72174 0.44348 0.37919 1.00000
Y4 Y 0.27826 0.55652 0.62081 1.00000
Y5 Y 0.35057 0.70114 0.93981 1.00000
N1 N 0.12131 0.24261 0.44061 1.00000
N2 N 0.67946 0.35892 0.88457 1.00000
N3 N 0.32054 0.64108 0.11543 1.00000
N4 N 0.87869 0.75739 0.55939 1.00000
N5 N 0.00000 0.00000 0.00000 1.00000
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