Zr2U3N4
Alexandria ALEXAlex-ID: agm005690259 · 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
A2B3C4_761_spg12
ZrUN2 U
2023-06-30 20:58:56.297865
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005690259).
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 agm005690259
data_agm005690259
_cell_length_a 3.38221
_cell_length_b 5.91462
_cell_length_c 7.46618
_cell_angle_alpha 76.49054
_cell_angle_beta 76.90877
_cell_angle_gamma 73.38616
_cell_volume 137.10242
_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
Zr1 Zr 0.61122 0.17293 0.60462 1.00000
Zr2 Zr 0.38878 0.82707 0.39538 1.00000
U1 U 0.00000 0.00000 0.00000 1.00000
U2 U 0.19363 0.40716 0.20558 1.00000
U3 U 0.80637 0.59284 0.79442 1.00000
N1 N 0.79638 0.10258 0.30467 1.00000
N2 N 0.20362 0.89742 0.69533 1.00000
N3 N 0.40619 0.29494 0.89268 1.00000
N4 N 0.59381 0.70506 0.10732 1.00000
获取直接链接