基础信息
化学式
Sm23Cd4Rh7
MP-ID
mp-1210149
元素数
3
位点数
68
密度
8.1077
g/cm³
体积
1,895.83
ų
晶胞参数 a
9.8962
Å
晶胞参数 b
9.8962
Å
晶胞参数 c
22.3528
Å
α 角
90.00
°
β 角
90.00
°
γ 角
120.00
°
空间群
P6_3mc
点群
6mm
晶体系统
Hexagonal
Bravais 格子
hP
稳定性
Yes
堆积分数
0.7405
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 |
|---|---|---|---|
| 7.91 | 11.1764 | 2.3 | (0,0,0,2) |
| 11.06 | 8.0023 | 2.6 | (1,0,-1,1) |
| 13.02 | 6.8010 | 3.2 | (1,0,-1,2) |
| 22.22 | 4.0012 | 1.5 | (2,0,-2,2) |
| 26.21 | 3.4005 | 5.0 | (2,0,-2,4) |
| 27.54 | 3.2393 | 9.0 | (3,-1,-2,0) |
| 27.83 | 3.2058 | 10.8 | (3,-1,-2,1) |
| 28.69 | 3.1113 | 7.0 | (3,-1,-2,2) |
| 28.86 | 3.0935 | 3.4 | (2,0,-2,5) |
| 29.86 | 2.9923 | 37.1 | (1,0,-1,7) |
| 30.02 | 2.9762 | 2.3 | (2,-1,-1,6) |
| 30.08 | 2.9707 | 9.2 | (3,-1,-2,3) |
| 31.31 | 2.8568 | 22.5 | (3,0,-3,0) |
| 31.57 | 2.8337 | 6.2 | (3,0,-3,1) |
| 31.83 | 2.8115 | 14.1 | (2,0,-2,6) |
| 31.93 | 2.8025 | 100.0 | (3,-1,-2,4) |
| 32.03 | 2.7941 | 9.5 | (0,0,0,8) |
| 33.60 | 2.6674 | 71.7 | (3,0,-3,3) |
| 33.74 | 2.6565 | 6.3 | (1,0,-1,8) |
| 34.18 | 2.6231 | 16.6 | (3,-1,-2,5) |
| 35.05 | 2.5605 | 48.7 | (2,0,-2,7) |
| 36.31 | 2.4741 | 37.8 | (4,-2,-2,0) |
| 36.77 | 2.4445 | 9.9 | (3,-1,-2,6) |
| 36.95 | 2.4330 | 4.7 | (2,-1,-1,8) |
能量属性
形成能/原子
-0.46829
eV/atom
能量/原子
-5.28940
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-5.2894
eV/atom
体积/原子
27.88
ų
c/a 比
2.2587
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
3.1308
μB
磁有序
FM
磁性位点数
6
磁化强度/体积
0.001650
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
Sm · 0.676
元素家族
N/A
溶质分数
0.324
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.609
家族
Sm-rich Multi-Component
基质元素
Sm · 0.676
关联任务
关联的计算任务 ID（1 个）
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-1210149
参考引用
The crystal structure and related material properties of Sm23Cd4Rh7 were obtained from the Materials Project database (MP-ID: mp-1210149, 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_Sm23Cd4Rh7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.89620624
_cell_length_b 9.89620624
_cell_length_c 22.35275697
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000174
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sm23Cd4Rh7
_chemical_formula_sum 'Sm46 Cd8 Rh14'
_cell_volume 1895.82914491
_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
Sm Sm0 1 0.20779944 0.41559888 0.72106493 1.0
Sm Sm1 1 0.20779944 0.79220056 0.72106493 1.0
Sm Sm2 1 0.79220056 0.58440112 0.22106493 1.0
Sm Sm3 1 0.58440112 0.79220056 0.72106493 1.0
Sm Sm4 1 0.79220056 0.20779944 0.22106493 1.0
Sm Sm5 1 0.41559888 0.20779944 0.22106493 1.0
Sm Sm6 1 0.79233270 0.58466540 0.94667497 1.0
Sm Sm7 1 0.79233270 0.20766730 0.94667497 1.0
Sm Sm8 1 0.20766730 0.41533460 0.44667497 1.0
Sm Sm9 1 0.41533460 0.20766730 0.94667497 1.0
Sm Sm10 1 0.20766730 0.79233270 0.44667497 1.0
Sm Sm11 1 0.58466540 0.79233270 0.44667497 1.0
Sm Sm12 1 0.20991716 0.41983431 0.98966035 1.0
Sm Sm13 1 0.20991716 0.79008284 0.98966035 1.0
Sm Sm14 1 0.79008284 0.58016569 0.48966035 1.0
Sm Sm15 1 0.58016569 0.79008284 0.98966035 1.0
Sm Sm16 1 0.79008284 0.20991716 0.48966035 1.0
Sm Sm17 1 0.41983431 0.20991716 0.48966035 1.0
Sm Sm18 1 0.87290455 0.74580909 0.63589258 1.0
Sm Sm19 1 0.87290455 0.12709545 0.63589258 1.0
Sm Sm20 1 0.12709545 0.25419091 0.13589258 1.0
Sm Sm21 1 0.25419091 0.12709545 0.63589258 1.0
Sm Sm22 1 0.12709545 0.87290455 0.13589258 1.0
Sm Sm23 1 0.74580909 0.87290455 0.13589258 1.0
Sm Sm24 1 0.45857415 0.91714831 0.85667169 1.0
Sm Sm25 1 0.45857415 0.54142585 0.85667169 1.0
Sm Sm26 1 0.54142585 0.08285169 0.35667169 1.0
Sm Sm27 1 0.08285169 0.54142585 0.85667169 1.0
Sm Sm28 1 0.54142585 0.45857415 0.35667169 1.0
Sm Sm29 1 0.91714831 0.45857415 0.35667169 1.0
Sm Sm30 1 -0.00000000 0.00000000 0.99590233 1.0
Sm Sm31 1 -0.00000000 0.00000000 0.49590233 1.0
Sm Sm32 1 0.45986558 0.91973116 0.58478816 1.0
Sm Sm33 1 0.45986558 0.54013442 0.58478816 1.0
Sm Sm34 1 0.54013442 0.08026884 0.08478816 1.0
Sm Sm35 1 0.08026884 0.54013442 0.58478816 1.0
Sm Sm36 1 0.54013442 0.45986558 0.08478816 1.0
Sm Sm37 1 0.91973116 0.45986558 0.08478816 1.0
Sm Sm38 1 0.79898617 0.59797235 0.78291406 1.0
Sm Sm39 1 0.79898617 0.20101383 0.78291406 1.0
Sm Sm40 1 0.20101383 0.40202765 0.28291406 1.0
Sm Sm41 1 0.40202765 0.20101383 0.78291406 1.0
Sm Sm42 1 0.20101383 0.79898617 0.28291406 1.0
Sm Sm43 1 0.59797235 0.79898617 0.28291406 1.0
Sm Sm44 1 0.66666700 0.33333300 0.64441709 1.0
Sm Sm45 1 0.33333300 0.66666700 0.14441709 1.0
Cd Cd46 1 -0.00000000 0.00000000 0.74998802 1.0
Cd Cd47 1 -0.00000000 0.00000000 0.24998802 1.0
Cd Cd48 1 0.10763643 0.21527286 0.86373796 1.0
Cd Cd49 1 0.10763643 0.89236357 0.86373796 1.0
Cd Cd50 1 0.89236357 0.78472714 0.36373796 1.0
Cd Cd51 1 0.78472714 0.89236357 0.86373796 1.0
Cd Cd52 1 0.89236357 0.10763643 0.36373796 1.0
Cd Cd53 1 0.21527286 0.10763643 0.36373796 1.0
Rh Rh54 1 0.52160402 0.04320804 0.71014195 1.0
Rh Rh55 1 0.52160402 0.47839598 0.71014195 1.0
Rh Rh56 1 0.47839598 0.95679196 0.21014195 1.0
Rh Rh57 1 0.95679196 0.47839598 0.71014195 1.0
Rh Rh58 1 0.47839598 0.52160402 0.21014195 1.0
Rh Rh59 1 0.04320804 0.52160402 0.21014195 1.0
Rh Rh60 1 0.66666700 0.33333300 0.86266096 1.0
Rh Rh61 1 0.33333300 0.66666700 0.36266096 1.0
Rh Rh62 1 0.14287335 0.28574671 0.56303722 1.0
Rh Rh63 1 0.14287335 0.85712665 0.56303722 1.0
Rh Rh64 1 0.85712665 0.71425329 0.06303722 1.0
Rh Rh65 1 0.71425329 0.85712665 0.56303722 1.0
Rh Rh66 1 0.85712665 0.14287335 0.06303722 1.0
Rh Rh67 1 0.28574671 0.14287335 0.06303722 1.0
