Y2NpN3
Alexandria ALEXAlex-ID: agm005644263 · 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_65_spg12
Y5NpN6 NpN
2023-08-23 23:36:52.179906
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005644263).
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 agm005644263
data_agm005644263
_cell_length_a 3.41294
_cell_length_b 6.83549
_cell_length_c 8.49455
_cell_angle_alpha 108.78624
_cell_angle_beta 90.00812
_cell_angle_gamma 104.45129
_cell_volume 180.97497
_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 0.16753 0.33525 0.33554 1.00000
Y2 Y 0.83247 0.66475 0.66446 1.00000
Y3 Y 0.33086 0.66153 0.16506 1.00000
Y4 Y 0.66914 0.33847 0.83494 1.00000
Np1 Np 0.50000 0.00000 0.00000 1.00000
Np2 Np 0.00000 0.00000 0.50000 1.00000
N1 N 0.97264 0.94537 0.19615 1.00000
N2 N 0.02736 0.05463 0.80385 1.00000
N3 N 0.68632 0.37265 0.13349 1.00000
N4 N 0.31368 0.62735 0.86651 1.00000
N5 N 0.36621 0.73248 0.47298 1.00000
N6 N 0.63379 0.26752 0.52702 1.00000
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