Y5NbN6
Alexandria ALEXAlex-ID: agm006137125 · 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
AB5C6_8_spg12
YNbN2 YN
2023-09-02 20:51:40.312237
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm006137125).
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 agm006137125
data_agm006137125
_cell_length_a 5.89040
_cell_length_b 5.90175
_cell_length_c 5.89453
_cell_angle_alpha 59.95947
_cell_angle_beta 80.36519
_cell_angle_gamma 70.46844
_cell_volume 167.18182
_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
Y1 Y 0.50000 0.16590 0.66820 1.00000
Y2 Y 0.00000 0.33316 0.33368 1.00000
Y3 Y 0.50000 0.50000 0.00000 1.00000
Y4 Y 1.00000 0.66684 0.66632 1.00000
Y5 Y 0.50000 0.83410 0.33180 1.00000
Nb1 Nb 0.00000 0.00000 0.00000 1.00000
N1 N 0.76285 0.07940 0.31461 1.00000
N2 N 0.23715 0.60599 0.31461 1.00000
N3 N 0.24005 0.23574 1.00000 1.00000
N4 N 0.75995 0.76426 0.00000 1.00000
N5 N 0.76285 0.39401 0.68539 1.00000
N6 N 0.23715 0.92060 0.68539 1.00000
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