U16N25
传统材料 TRAMP-ID: mp-32742 · 空间群: R3 (#146)
基础信息
化学式
U16N25
MP-ID
mp-32742
元素数
2
位点数
41
密度
11.4133
g/cm³
体积
605.05
ų
晶胞参数 a
9.2365
Å
晶胞参数 b
9.2365
Å
晶胞参数 c
9.2365
Å
α 角
109.54
°
β 角
109.54
°
γ 角
109.54
°
空间群
R3
点群
3
晶体系统
Trigonal
Bravais 格子
hR
稳定性
No
堆积分数
-
X 射线衍射
衍射图谱
横轴为 2θ (°)，纵轴为相对强度，Cu Kα ， λ=1.5418 Å
衍射峰（Top 24）
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 20.41 | 4.3523 | 3.3 | (2,0,-1) |
| 29.00 | 3.0788 | 100.0 | (3,-1,-1) |
| 29.10 | 3.0684 | 33.1 | (1,1,1) |
| 33.64 | 2.6641 | 36.9 | (2,-2,2) |
| 33.64 | 2.6641 | 18.5 | (2,2,-2) |
| 35.74 | 2.5121 | 2.2 | (3,1,-2) |
| 39.63 | 2.2743 | 1.1 | (4,-1,-2) |
| 43.24 | 2.0925 | 1.5 | (4,-1,-3) |
| 43.38 | 2.0860 | 1.5 | (3,1,0) |
| 48.25 | 1.8862 | 9.0 | (4,-4,0) |
| 48.25 | 1.8862 | 18.0 | (4,0,-4) |
| 48.38 | 1.8814 | 26.8 | (4,0,0) |
| 52.97 | 1.7288 | 1.8 | (4,2,-3) |
| 57.28 | 1.6084 | 13.5 | (5,-3,-3) |
| 57.34 | 1.6069 | 26.9 | (5,1,-3) |
| 57.46 | 1.6039 | 8.8 | (3,-1,3) |
| 57.46 | 1.6039 | 4.4 | (3,3,-1) |
| 58.69 | 1.5730 | 1.4 | (5,-2,-4) |
| 58.87 | 1.5688 | 1.4 | (4,2,-1) |
| 60.10 | 1.5394 | 10.0 | (6,-2,-2) |
| 60.33 | 1.5342 | 3.3 | (2,2,2) |
| 64.20 | 1.4508 | 1.1 | (5,2,-4) |
| 70.73 | 1.3320 | 5.1 | (4,-4,4) |
| 70.73 | 1.3320 | 2.5 | (4,4,-4) |
能量属性
形成能/原子
-1.74210
eV/atom
能量/原子
-38.50531
eV/atom
凸包距离
0.0030
eV/atom
未修正能量
-10.8918
eV/atom
体积/原子
14.76
ų
c/a 比
1.0000
电子属性
金属性
金属
带隙
0
eV
直接带隙
No
CBM
N/A
eV
磁性属性
磁性
Yes
总磁矩
20.9987
μB
磁有序
FM
磁性位点数
16
磁化强度/体积
0.034710
μB/ų
弹性属性
弹性数据暂不开放
特征分析
元素组成（原子分数）
组成信息
主元 / 基质元素
N · 0.610
元素家族
N/A
溶质分数
0.390
间隙分数
0.610
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.589
家族
Binary Alloy
基质元素
N · 0.610
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-32742
参考引用
The crystal structure and related material properties of U16N25 were obtained from the Materials Project database (MP-ID: mp-32742, database version v2026.04.13).
文献引用
Horton, M.K., Huck, P., Yang, R.X. et al. Accelerated data-driven materials science with the Materials Project. Nat. Mater. 24, 1522–1532 (2025). https://doi.org/10.1038/s41563-025-02272-0
晶体结构 3D 渲染
加载 3D 结构...
样式: Ball & Stick
|
拖拽旋转 · 滚轮缩放 · 右键平移
原始 CIF 数据
# generated using pymatgen
data_U16N25
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.23648116
_cell_length_b 9.23648116
_cell_length_c 9.23648115
_cell_angle_alpha 109.53989644
_cell_angle_beta 109.53989644
_cell_angle_gamma 109.53989947
_symmetry_Int_Tables_number 1
_chemical_formula_structural U16N25
_chemical_formula_sum 'U16 N25'
_cell_volume 605.04620821
_cell_formula_units_Z 1
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
1 'x, y, z'
loop_
_atom_site_type_symbol
_atom_site_label
_atom_site_symmetry_multiplicity
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
U U0 1 0.22733400 0.74906800 0.97863200 1.0
U U1 1 0.24975500 0.02194300 0.76910200 1.0
U U2 1 0.02083400 0.02083400 0.02083400 1.0
U U3 1 0.47820700 0.73122700 0.75175700 1.0
U U4 1 0.75175700 0.47820700 0.73122700 1.0
U U5 1 0.97863200 0.22733400 0.74906800 1.0
U U6 1 0.27358200 0.25092700 0.50625400 1.0
U U7 1 0.49909800 0.99553600 0.50038500 1.0
U U8 1 0.73122700 0.75175700 0.47820700 1.0
U U9 1 0.02194300 0.76910200 0.24975500 1.0
U U10 1 0.25092700 0.50625400 0.27358200 1.0
U U11 1 0.50625400 0.27358200 0.25092700 1.0
U U12 1 0.99553600 0.50038500 0.49909800 1.0
U U13 1 0.74906800 0.97863200 0.22733400 1.0
U U14 1 0.76910200 0.24975500 0.02194300 1.0
U U15 1 0.50038500 0.49909800 0.99553600 1.0
N N16 1 0.97548200 0.73973200 0.97720000 1.0
N N17 1 0.23646200 0.26574200 0.75954100 1.0
N N18 1 0.99944800 0.47232100 0.73517600 1.0
N N19 1 0.53161200 0.50504900 0.76125800 1.0
N N20 1 0.52286600 0.26453600 0.99410900 1.0
N N21 1 0.73149400 0.23269700 0.76276000 1.0
N N22 1 0.97720000 0.97548200 0.73973200 1.0
N N23 1 0.73973200 0.97720000 0.97548200 1.0
N N24 1 0.75954100 0.23646200 0.26574200 1.0
N N25 1 0.73517600 0.99944800 0.47232100 1.0
N N26 1 0.51287600 0.23070200 0.48013700 1.0
N N27 1 0.23070200 0.48013700 0.51287600 1.0
N N28 1 0.76125800 0.53161200 0.50504900 1.0
N N29 1 0.50504900 0.76125800 0.53161200 1.0
N N30 1 0.26453600 0.99410900 0.52286600 1.0
N N31 1 0.23269700 0.76276000 0.73149400 1.0
N N32 1 0.01506700 0.01971800 0.26898500 1.0
N N33 1 0.26898500 0.01506700 0.01971800 1.0
N N34 1 0.26574200 0.75954100 0.23646200 1.0
N N35 1 0.47232100 0.73517600 0.99944800 1.0
N N36 1 0.48013700 0.51287600 0.23070200 1.0
N N37 1 0.26738800 0.26738800 0.26738800 1.0
N N38 1 0.99410900 0.52286600 0.26453600 1.0
N N39 1 0.76276000 0.73149400 0.23269700 1.0
N N40 1 0.01971800 0.26898500 0.01506700 1.0
