Mn4Fe8Si3Ge
HEA 稳定MP-ID: mp-1222120 · 空间群: R-3m (#166)
基础信息
化学式
Mn4Fe8Si3Ge
MP-ID
mp-1222120
元素数
4
位点数
16
密度
7.7109
g/cm³
体积
177.32
ų
晶胞参数 a
13.1830
Å
晶胞参数 b
13.1830
Å
晶胞参数 c
13.1830
Å
α 角
17.33
°
β 角
17.33
°
γ 角
17.33
°
晶体系统
Trigonal
Bravais 格子
aP
点群
-3m
堆积分数
-
能量属性
形成能/原子
-0.27825
eV/atom
能量/原子
-8.10995
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-8.1100
eV/atom
体积/原子
11.08
ų
c/a 比
1.0000
电子属性
金属性
金属
带隙 (eV)
0
直接带隙
No
CBM
8.080
磁性属性
磁性
Yes
总磁矩 (μB)
11.9910
磁有序
FM
磁性位点数
10
磁化强度/体积 (μB/ų)
6.76e-2
弹性数据不可用
引用与参考
CIF 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_Mn4Fe8Si3Ge _symmetry_space_group_name_H-M R-3m _cell_length_a 3.97139571 _cell_length_b 3.97139571 _cell_length_c 38.94606316 _cell_angle_alpha 90.00000000 _cell_angle_beta 90.00000000 _cell_angle_gamma 120.00000000 _symmetry_Int_Tables_number 166 _chemical_formula_structural Mn4Fe8Si3Ge _chemical_formula_sum 'Mn12 Fe24 Si9 Ge3' _cell_volume 531.96189087 _cell_formula_units_Z 3 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 'x, y, z' 2 '-x, -y, -z' 3 '-y, x-y, z' 4 'y, -x+y, -z' 5 '-x+y, -x, z' 6 'x-y, x, -z' 7 'y, x, -z' 8 '-y, -x, z' 9 'x-y, -y, -z' 10 '-x+y, y, z' 11 '-x, -x+y, -z' 12 'x, x-y, z' 13 'x+2/3, y+1/3, z+1/3' 14 '-x+2/3, -y+1/3, -z+1/3' 15 '-y+2/3, x-y+1/3, z+1/3' 16 'y+2/3, -x+y+1/3, -z+1/3' 17 '-x+y+2/3, -x+1/3, z+1/3' 18 'x-y+2/3, x+1/3, -z+1/3' 19 'y+2/3, x+1/3, -z+1/3' 20 '-y+2/3, -x+1/3, z+1/3' 21 'x-y+2/3, -y+1/3, -z+1/3' 22 '-x+y+2/3, y+1/3, z+1/3' 23 '-x+2/3, -x+y+1/3, -z+1/3' 24 'x+2/3, x-y+1/3, z+1/3' 25 'x+1/3, y+2/3, z+2/3' 26 '-x+1/3, -y+2/3, -z+2/3' 27 '-y+1/3, x-y+2/3, z+2/3' 28 'y+1/3, -x+y+2/3, -z+2/3' 29 '-x+y+1/3, -x+2/3, z+2/3' 30 'x-y+1/3, x+2/3, -z+2/3' 31 'y+1/3, x+2/3, -z+2/3' 32 '-y+1/3, -x+2/3, z+2/3' 33 'x-y+1/3, -y+2/3, -z+2/3' 34 '-x+y+1/3, y+2/3, z+2/3' 35 '-x+1/3, -x+y+2/3, -z+2/3' 36 'x+1/3, x-y+2/3, z+2/3' 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 Mn Mn0 6 0.00000000 0.00000000 0.12474800 1 Mn Mn1 6 0.00000000 0.00000000 0.37465600 1 Fe Fe2 6 0.00000000 0.00000000 0.06244100 1 Fe Fe3 6 0.00000000 0.00000000 0.18878000 1 Fe Fe4 6 0.00000000 0.00000000 0.31261400 1 Fe Fe5 6 0.00000000 0.00000000 0.43589100 1 Si Si6 6 0.00000000 0.00000000 0.25029500 1 Si Si7 3 0.00000000 0.00000000 0.00000000 1 Ge Ge8 3 -0.00000000 -0.00000000 0.50000000 1