基础信息
化学式
ErSi3Rh5
MP-ID
mp-15307
元素数
3
位点数
54
密度
9.3159
g/cm³
体积
819.27
ų
晶胞参数 a
15.6246
Å
晶胞参数 b
15.6246
Å
晶胞参数 c
3.8751
Å
α 角
90.00
°
β 角
90.00
°
γ 角
120.00
°
空间群
P6_3/m
点群
6/m
晶体系统
Hexagonal
Bravais 格子
hP
稳定性
Yes
堆积分数
0.7405
能量属性
形成能/原子
-0.95959
eV/atom
能量/原子
-7.36684
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-7.3668
eV/atom
体积/原子
15.17
ų
c/a 比
0.2480
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
0.0004
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000000
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 · 0.556
元素家族
N/A
溶质分数
0.444
间隙分数
0.333
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.543
家族
Interstitial Alloy
基质元素
Rh · 0.556
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-15307
参考引用
The crystal structure and related material properties of ErSi3Rh5 were obtained from the Materials Project database (MP-ID: mp-15307, 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_ErSi3Rh5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 15.62460538
_cell_length_b 15.62460538
_cell_length_c 3.87505700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999736
_symmetry_Int_Tables_number 1
_chemical_formula_structural ErSi3Rh5
_chemical_formula_sum 'Er6 Si18 Rh30'
_cell_volume 819.26962452
_cell_formula_units_Z 6
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
Er Er0 1 0.60571800 0.89993300 0.25000000 1.0
Er Er1 1 0.70578500 0.60571800 0.75000000 1.0
Er Er2 1 0.89993300 0.29421500 0.75000000 1.0
Er Er3 1 0.10006700 0.70578500 0.25000000 1.0
Er Er4 1 0.29421500 0.39428200 0.25000000 1.0
Er Er5 1 0.39428200 0.10006700 0.75000000 1.0
Si Si6 1 0.44195700 0.76066400 0.75000000 1.0
Si Si7 1 0.68129300 0.44195700 0.25000000 1.0
Si Si8 1 0.76066400 0.31870700 0.25000000 1.0
Si Si9 1 0.23933600 0.68129300 0.75000000 1.0
Si Si10 1 0.31870700 0.55804300 0.75000000 1.0
Si Si11 1 0.55804300 0.23933600 0.25000000 1.0
Si Si12 1 0.88089800 0.13133200 0.25000000 1.0
Si Si13 1 0.11910200 0.86866800 0.75000000 1.0
Si Si14 1 0.13133200 0.25043400 0.75000000 1.0
Si Si15 1 0.25043400 0.11910200 0.25000000 1.0
Si Si16 1 0.37055200 0.93854300 0.25000000 1.0
Si Si17 1 0.43200900 0.37055200 0.75000000 1.0
Si Si18 1 0.93854300 0.56799100 0.75000000 1.0
Si Si19 1 0.06145700 0.43200900 0.25000000 1.0
Si Si20 1 0.56799100 0.62944800 0.25000000 1.0
Si Si21 1 0.62944800 0.06145700 0.75000000 1.0
Si Si22 1 0.74956600 0.88089800 0.75000000 1.0
Si Si23 1 0.86866800 0.74956600 0.25000000 1.0
Rh Rh24 1 0.46371000 0.92488000 0.75000000 1.0
Rh Rh25 1 0.15383800 0.41416500 0.75000000 1.0
Rh Rh26 1 0.26032700 0.84616200 0.75000000 1.0
Rh Rh27 1 0.73967300 0.15383800 0.25000000 1.0
Rh Rh28 1 0.84616200 0.58583500 0.25000000 1.0
Rh Rh29 1 0.41416500 0.26032700 0.25000000 1.0
Rh Rh30 1 0.65244800 0.22340800 0.75000000 1.0
Rh Rh31 1 0.42904000 0.65244800 0.25000000 1.0
Rh Rh32 1 0.22340800 0.57096000 0.25000000 1.0
Rh Rh33 1 0.77659200 0.42904000 0.75000000 1.0
Rh Rh34 1 0.57096000 0.34755200 0.75000000 1.0
Rh Rh35 1 0.34755200 0.77659200 0.25000000 1.0
Rh Rh36 1 0.14068700 0.02823200 0.75000000 1.0
Rh Rh37 1 0.11245500 0.14068700 0.25000000 1.0
Rh Rh38 1 0.02823200 0.88754500 0.25000000 1.0
Rh Rh39 1 0.97176800 0.11245500 0.75000000 1.0
Rh Rh40 1 0.88754500 0.85931300 0.75000000 1.0
Rh Rh41 1 0.85931300 0.97176800 0.25000000 1.0
Rh Rh42 1 0.92488000 0.46117000 0.25000000 1.0
Rh Rh43 1 0.07512000 0.53883000 0.75000000 1.0
Rh Rh44 1 0.46117000 0.53629000 0.75000000 1.0
Rh Rh45 1 0.53629000 0.07512000 0.25000000 1.0
Rh Rh46 1 0.72902700 0.77308000 0.25000000 1.0
Rh Rh47 1 0.95594700 0.72902700 0.75000000 1.0
Rh Rh48 1 0.77308000 0.04405300 0.75000000 1.0
Rh Rh49 1 0.22692000 0.95594700 0.25000000 1.0
Rh Rh50 1 0.04405300 0.27097300 0.25000000 1.0
Rh Rh51 1 0.27097300 0.22692000 0.75000000 1.0
Rh Rh52 1 0.58583500 0.73967300 0.75000000 1.0
Rh Rh53 1 0.53883000 0.46371000 0.25000000 1.0