UMoN3
Alexandria ALEXAlex-ID: agm058972083 · 空间群: C2/c (#15)
基础信息
组成
能量与稳定性
电子结构
其他信息
ABC3_115_spg15
MoN UN2
2024-10-14 21:49:45.521137
引用参考
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm058972083).
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 agm058972083
data_agm058972083
_cell_length_a 7.00522
_cell_length_b 7.00522
_cell_length_c 5.89359
_cell_angle_alpha 77.70566
_cell_angle_beta 77.70566
_cell_angle_gamma 79.93349
_cell_volume 273.55330
_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
U1 U 0.33524 0.66476 0.75000 1.00000
U2 U 0.66476 0.33524 0.25000 1.00000
U3 U 0.90212 0.09788 0.75000 1.00000
U4 U 0.09788 0.90212 0.25000 1.00000
Mo1 Mo 0.38104 0.19801 0.76912 1.00000
Mo2 Mo 0.80199 0.61896 0.73088 1.00000
Mo3 Mo 0.61896 0.80199 0.23088 1.00000
Mo4 Mo 0.19801 0.38104 0.26912 1.00000
N1 N 0.20354 0.99398 0.87081 1.00000
N2 N 0.00602 0.79646 0.62919 1.00000
N3 N 0.79646 0.00602 0.12919 1.00000
N4 N 0.99398 0.20354 0.37081 1.00000
N5 N 0.63124 0.11645 0.60664 1.00000
N6 N 0.88355 0.36876 0.89336 1.00000
N7 N 0.36876 0.88355 0.39336 1.00000
N8 N 0.11645 0.63124 0.10664 1.00000
N9 N 0.42306 0.32159 0.01818 1.00000
N10 N 0.67841 0.57694 0.48182 1.00000
N11 N 0.57694 0.67841 0.98182 1.00000
N12 N 0.32159 0.42306 0.51818 1.00000
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