基础信息
化学式
Ag2(RhS)15
MP-ID
mp-1201221
元素数
3
位点数
64
密度
7.0832
g/cm³
体积
1,050.40
ų
晶胞参数 a
10.1653
Å
晶胞参数 b
10.1653
Å
晶胞参数 c
10.1653
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pm-3m
点群
m-3m
晶体系统
Cubic
Bravais 格子
cP
稳定性
No
堆积分数
0.5236
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 |
|---|---|---|---|
| 15.10 | 5.8689 | 8.1 | (1,1,1) |
| 19.53 | 4.5460 | 3.6 | (2,1,0) |
| 26.30 | 3.3884 | 9.1 | (3,0,0) |
| 27.75 | 3.2145 | 26.1 | (3,1,0) |
| 29.14 | 3.0649 | 100.0 | (3,1,1) |
| 31.74 | 2.8193 | 6.0 | (3,2,0) |
| 32.97 | 2.7168 | 24.3 | (3,2,1) |
| 35.32 | 2.5413 | 4.7 | (4,0,0) |
| 36.44 | 2.4654 | 28.2 | (3,2,2) |
| 37.54 | 2.3960 | 15.0 | (3,3,0) |
| 38.61 | 2.3321 | 8.2 | (3,3,1) |
| 39.65 | 2.2730 | 20.2 | (4,2,0) |
| 40.67 | 2.2182 | 3.8 | (4,2,1) |
| 41.67 | 2.1672 | 2.1 | (3,3,2) |
| 44.57 | 2.0331 | 14.3 | (4,3,0) |
| 45.50 | 1.9936 | 15.5 | (4,3,1) |
| 46.42 | 1.9563 | 50.4 | (5,1,1) |
| 48.21 | 1.8876 | 1.0 | (5,2,0) |
| 50.81 | 1.7970 | 71.4 | (4,4,0) |
| 51.65 | 1.7695 | 1.2 | (5,2,2) |
| 52.49 | 1.7433 | 1.8 | (5,3,0) |
| 54.13 | 1.6942 | 17.8 | (6,0,0) |
| 55.74 | 1.6490 | 2.3 | (6,1,1) |
| 58.10 | 1.5876 | 7.2 | (6,2,1) |
能量属性
形成能/原子
-0.46250
eV/atom
能量/原子
-16.87705
eV/atom
凸包距离
0.0637
eV/atom
未修正能量
-5.9119
eV/atom
体积/原子
16.41
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
No
总磁矩
0.0352
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000030
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
Rh · 0.469
元素家族
N/A
溶质分数
0.531
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
C
评分
0.436
家族
Rh-rich Multi-Component
基质元素
Rh · 0.469
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-1201221
参考引用
The crystal structure and related material properties of Ag2(RhS)15 were obtained from the Materials Project database (MP-ID: mp-1201221, 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
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原始 CIF 数据
# generated using pymatgen
data_Ag2(RhS)15
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.16525800
_cell_length_b 10.16525800
_cell_length_c 10.16525800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ag2(RhS)15
_chemical_formula_sum 'Ag4 Rh30 S30'
_cell_volume 1050.40121943
_cell_formula_units_Z 2
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
Ag Ag0 1 0.50000000 0.00000000 0.00000000 1.0
Ag Ag1 1 0.00000000 0.00000000 0.50000000 1.0
Ag Ag2 1 0.00000000 0.50000000 0.00000000 1.0
Ag Ag3 1 0.50000000 0.50000000 0.50000000 1.0
Rh Rh4 1 0.13896400 0.35789500 0.64210500 1.0
Rh Rh5 1 0.35789500 0.35789500 0.86103600 1.0
Rh Rh6 1 0.35789500 0.13896400 0.64210500 1.0
Rh Rh7 1 0.13896400 0.64210500 0.35789500 1.0
Rh Rh8 1 0.35789500 0.64210500 0.13896400 1.0
Rh Rh9 1 0.35789500 0.86103600 0.35789500 1.0
Rh Rh10 1 0.86103600 0.35789500 0.35789500 1.0
Rh Rh11 1 0.64210500 0.35789500 0.13896400 1.0
Rh Rh12 1 0.64210500 0.13896400 0.35789500 1.0
Rh Rh13 1 0.86103600 0.64210500 0.64210500 1.0
Rh Rh14 1 0.64210500 0.64210500 0.86103600 1.0
Rh Rh15 1 0.64210500 0.86103600 0.64210500 1.0
Rh Rh16 1 0.86103600 0.64210500 0.35789500 1.0
Rh Rh17 1 0.64210500 0.64210500 0.13896400 1.0
Rh Rh18 1 0.64210500 0.86103600 0.35789500 1.0
Rh Rh19 1 0.86103600 0.35789500 0.64210500 1.0
Rh Rh20 1 0.64210500 0.35789500 0.86103600 1.0
Rh Rh21 1 0.64210500 0.13896400 0.64210500 1.0
Rh Rh22 1 0.13896400 0.64210500 0.64210500 1.0
Rh Rh23 1 0.35789500 0.64210500 0.86103600 1.0
Rh Rh24 1 0.35789500 0.86103600 0.64210500 1.0
Rh Rh25 1 0.13896400 0.35789500 0.35789500 1.0
Rh Rh26 1 0.35789500 0.35789500 0.13896400 1.0
Rh Rh27 1 0.35789500 0.13896400 0.35789500 1.0
Rh Rh28 1 0.20700700 0.00000000 0.00000000 1.0
Rh Rh29 1 0.00000000 0.00000000 0.79299300 1.0
Rh Rh30 1 0.00000000 0.20700700 0.00000000 1.0
Rh Rh31 1 0.00000000 0.00000000 0.20700700 1.0
Rh Rh32 1 0.00000000 0.79299300 0.00000000 1.0
Rh Rh33 1 0.79299300 0.00000000 0.00000000 1.0
S S34 1 0.50000000 0.17803800 0.82196200 1.0
S S35 1 0.17803800 0.17803800 0.50000000 1.0
S S36 1 0.17803800 0.50000000 0.82196200 1.0
S S37 1 0.50000000 0.82196200 0.17803800 1.0
S S38 1 0.17803800 0.82196200 0.50000000 1.0
S S39 1 0.17803800 0.50000000 0.17803800 1.0
S S40 1 0.50000000 0.17803800 0.17803800 1.0
S S41 1 0.82196200 0.17803800 0.50000000 1.0
S S42 1 0.82196200 0.50000000 0.17803800 1.0
S S43 1 0.50000000 0.82196200 0.82196200 1.0
S S44 1 0.82196200 0.82196200 0.50000000 1.0
S S45 1 0.82196200 0.50000000 0.82196200 1.0
S S46 1 0.00000000 0.22888200 0.77111800 1.0
S S47 1 0.22888200 0.22888200 0.00000000 1.0
S S48 1 0.22888200 0.00000000 0.77111800 1.0
S S49 1 0.00000000 0.77111800 0.22888200 1.0
S S50 1 0.22888200 0.77111800 0.00000000 1.0
S S51 1 0.22888200 0.00000000 0.22888200 1.0
S S52 1 0.00000000 0.22888200 0.22888200 1.0
S S53 1 0.77111800 0.22888200 0.00000000 1.0
S S54 1 0.77111800 0.00000000 0.22888200 1.0
S S55 1 0.00000000 0.77111800 0.77111800 1.0
S S56 1 0.77111800 0.77111800 0.00000000 1.0
S S57 1 0.77111800 0.00000000 0.77111800 1.0
S S58 1 0.25009100 0.50000000 0.50000000 1.0
S S59 1 0.50000000 0.50000000 0.74990900 1.0
S S60 1 0.50000000 0.25009100 0.50000000 1.0
S S61 1 0.50000000 0.50000000 0.25009100 1.0
S S62 1 0.50000000 0.74990900 0.50000000 1.0
S S63 1 0.74990900 0.50000000 0.50000000 1.0
