Sr9Mg38
传统材料 TRAMP-ID: mp-30783 · 空间群: P6_3/mmc (#194)
基础信息
化学式
Sr9Mg38
MP-ID
mp-30783
元素数
2
位点数
94
密度
2.1272
g/cm³
体积
2,673.12
ų
晶胞参数 a
10.5182
Å
晶胞参数 b
10.5182
Å
晶胞参数 c
27.9003
Å
α 角
90.00
°
β 角
90.00
°
γ 角
120.00
°
空间群
P6_3/mmc
点群
6/mmm
晶体系统
Hexagonal
Bravais 格子
hP
稳定性
No
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 |
|---|---|---|---|
| 6.34 | 13.9501 | 3.3 | (0,0,0,2) |
| 9.71 | 9.1090 | 4.2 | (1,0,-1,0) |
| 10.22 | 8.6592 | 1.7 | (1,0,-1,1) |
| 11.60 | 7.6270 | 5.9 | (1,0,-1,2) |
| 12.69 | 6.9751 | 1.9 | (0,0,0,4) |
| 13.61 | 6.5075 | 4.7 | (1,0,-1,3) |
| 16.00 | 5.5380 | 2.0 | (1,0,-1,4) |
| 16.86 | 5.2591 | 7.3 | (2,-1,-1,0) |
| 19.09 | 4.6500 | 12.6 | (0,0,0,6) |
| 19.75 | 4.4950 | 6.5 | (2,0,-2,1) |
| 20.51 | 4.3296 | 39.9 | (2,0,-2,2) |
| 21.16 | 4.1992 | 3.0 | (2,-1,-1,4) |
| 21.46 | 4.1416 | 1.4 | (1,0,-1,6) |
| 21.73 | 4.0903 | 26.7 | (2,0,-2,3) |
| 23.33 | 3.8135 | 13.8 | (2,0,-2,4) |
| 24.38 | 3.6515 | 3.0 | (1,0,-1,7) |
| 25.24 | 3.5284 | 35.2 | (2,0,-2,5) |
| 25.54 | 3.4875 | 3.1 | (0,0,0,8) |
| 25.57 | 3.4836 | 9.9 | (2,-1,-1,6) |
| 25.88 | 3.4429 | 3.0 | (3,-2,-1,0) |
| 25.88 | 3.4429 | 6.0 | (3,-1,-2,0) |
| 26.08 | 3.4170 | 14.6 | (3,-1,-2,1) |
| 27.38 | 3.2570 | 19.4 | (1,0,-1,8) |
| 27.41 | 3.2538 | 1.2 | (2,-2,0,6) |
能量属性
形成能/原子
-0.05960
eV/atom
能量/原子
-6.33076
eV/atom
凸包距离
0.0059
eV/atom
未修正能量
-1.6766
eV/atom
体积/原子
28.44
ų
c/a 比
2.6526
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
0.0332
μB
磁有序
NM
磁性位点数
0
磁化强度/体积
0.000010
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
Mg · 0.809
元素家族
N/A
溶质分数
0.191
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.847
家族
Mg-based Alloy
基质元素
Mg · 0.809
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-30783
参考引用
The crystal structure and related material properties of Sr9Mg38 were obtained from the Materials Project database (MP-ID: mp-30783, 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_Sr9Mg38
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 10.51816467
_cell_length_b 10.51816467
_cell_length_c 27.90024700
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 120.00000422
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr9Mg38
_chemical_formula_sum 'Sr18 Mg76'
_cell_volume 2673.12084708
_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
Sr Sr0 1 0.52276500 0.04553000 0.25000000 1.0
Sr Sr1 1 0.47723500 0.52276500 0.75000000 1.0
Sr Sr2 1 0.04553000 0.52276500 0.75000000 1.0
Sr Sr3 1 0.95447000 0.47723500 0.25000000 1.0
Sr Sr4 1 0.52276500 0.47723500 0.25000000 1.0
Sr Sr5 1 0.47723500 0.95447000 0.75000000 1.0
Sr Sr6 1 0.13876000 0.27751900 0.06275300 1.0
Sr Sr7 1 0.86124000 0.13876000 0.56275300 1.0
Sr Sr8 1 0.27751900 0.13876000 0.56275300 1.0
Sr Sr9 1 0.72248100 0.86124000 0.06275300 1.0
Sr Sr10 1 0.13876000 0.86124000 0.06275300 1.0
Sr Sr11 1 0.86124000 0.72248100 0.93724700 1.0
Sr Sr12 1 0.86124000 0.13876000 0.93724700 1.0
Sr Sr13 1 0.86124000 0.72248100 0.56275300 1.0
Sr Sr14 1 0.27751900 0.13876000 0.93724700 1.0
Sr Sr15 1 0.72248100 0.86124000 0.43724700 1.0
Sr Sr16 1 0.13876000 0.27751900 0.43724700 1.0
Sr Sr17 1 0.13876000 0.86124000 0.43724700 1.0
Mg Mg18 1 0.00000000 0.00000000 0.15738500 1.0
Mg Mg19 1 0.00000000 0.00000000 0.65738500 1.0
Mg Mg20 1 0.00000000 0.00000000 0.84261500 1.0
Mg Mg21 1 0.00000000 0.00000000 0.34261500 1.0
Mg Mg22 1 0.33333300 0.66666700 0.04200500 1.0
Mg Mg23 1 0.66666700 0.33333300 0.54200500 1.0
Mg Mg24 1 0.66666700 0.33333300 0.95799500 1.0
Mg Mg25 1 0.33333300 0.66666700 0.45799500 1.0
Mg Mg26 1 0.33333300 0.66666700 0.15701300 1.0
Mg Mg27 1 0.66666700 0.33333300 0.65701300 1.0
Mg Mg28 1 0.66666700 0.33333300 0.84298700 1.0
Mg Mg29 1 0.33333300 0.66666700 0.34298700 1.0
Mg Mg30 1 0.33333300 0.66666700 0.65071700 1.0
Mg Mg31 1 0.66666700 0.33333300 0.15071700 1.0
Mg Mg32 1 0.66666700 0.33333300 0.34928300 1.0
Mg Mg33 1 0.33333300 0.66666700 0.84928300 1.0
Mg Mg34 1 0.50000000 0.00000000 0.00000000 1.0
Mg Mg35 1 0.50000000 0.50000000 0.50000000 1.0
Mg Mg36 1 0.00000000 0.50000000 0.50000000 1.0
Mg Mg37 1 0.00000000 0.50000000 0.00000000 1.0
Mg Mg38 1 0.50000000 0.50000000 0.00000000 1.0
Mg Mg39 1 0.50000000 0.00000000 0.50000000 1.0
Mg Mg40 1 0.90176200 0.80352400 0.25000000 1.0
Mg Mg41 1 0.09823800 0.90176200 0.75000000 1.0
Mg Mg42 1 0.80352400 0.90176200 0.75000000 1.0
Mg Mg43 1 0.19647600 0.09823800 0.25000000 1.0
Mg Mg44 1 0.90176200 0.09823800 0.25000000 1.0
Mg Mg45 1 0.09823800 0.19647600 0.75000000 1.0
Mg Mg46 1 0.23402800 0.46805600 0.55486900 1.0
Mg Mg47 1 0.76597200 0.23402800 0.05486900 1.0
Mg Mg48 1 0.46805600 0.23402800 0.05486900 1.0
Mg Mg49 1 0.53194400 0.76597200 0.55486900 1.0
Mg Mg50 1 0.23402800 0.76597200 0.55486900 1.0
Mg Mg51 1 0.76597200 0.53194400 0.44513100 1.0
Mg Mg52 1 0.76597200 0.23402800 0.44513100 1.0
Mg Mg53 1 0.76597200 0.53194400 0.05486900 1.0
Mg Mg54 1 0.46805600 0.23402800 0.44513100 1.0
Mg Mg55 1 0.53194400 0.76597200 0.94513100 1.0
Mg Mg56 1 0.23402800 0.46805600 0.94513100 1.0
Mg Mg57 1 0.23402800 0.76597200 0.94513100 1.0
Mg Mg58 1 0.50485300 0.00970600 0.61897700 1.0
Mg Mg59 1 0.49514700 0.50485300 0.11897700 1.0
Mg Mg60 1 0.00970600 0.50485300 0.11897700 1.0
Mg Mg61 1 0.99029400 0.49514700 0.61897700 1.0
Mg Mg62 1 0.50485300 0.49514700 0.61897700 1.0
Mg Mg63 1 0.49514700 0.99029400 0.38102300 1.0
Mg Mg64 1 0.49514700 0.50485300 0.38102300 1.0
Mg Mg65 1 0.49514700 0.99029400 0.11897700 1.0
Mg Mg66 1 0.00970600 0.50485300 0.38102300 1.0
Mg Mg67 1 0.99029400 0.49514700 0.88102300 1.0
Mg Mg68 1 0.50485300 0.00970600 0.88102300 1.0
Mg Mg69 1 0.50485300 0.49514700 0.88102300 1.0
Mg Mg70 1 0.16758900 0.33517800 0.65378200 1.0
Mg Mg71 1 0.83241100 0.16758900 0.15378200 1.0
Mg Mg72 1 0.33517800 0.16758900 0.15378200 1.0
Mg Mg73 1 0.66482200 0.83241100 0.65378200 1.0
Mg Mg74 1 0.16758900 0.83241100 0.65378200 1.0
Mg Mg75 1 0.83241100 0.66482200 0.34621800 1.0
Mg Mg76 1 0.83241100 0.16758900 0.34621800 1.0
Mg Mg77 1 0.83241100 0.66482200 0.15378200 1.0
Mg Mg78 1 0.33517800 0.16758900 0.34621800 1.0
Mg Mg79 1 0.66482200 0.83241100 0.84621800 1.0
Mg Mg80 1 0.16758900 0.33517800 0.84621800 1.0
Mg Mg81 1 0.16758900 0.83241100 0.84621800 1.0
Mg Mg82 1 0.16994700 0.33989500 0.18983000 1.0
Mg Mg83 1 0.83005300 0.16994700 0.68983000 1.0
Mg Mg84 1 0.33989500 0.16994700 0.68983000 1.0
Mg Mg85 1 0.66010500 0.83005300 0.18983000 1.0
Mg Mg86 1 0.16994700 0.83005300 0.18983000 1.0
Mg Mg87 1 0.83005300 0.66010500 0.81017000 1.0
Mg Mg88 1 0.83005300 0.16994700 0.81017000 1.0
Mg Mg89 1 0.83005300 0.66010500 0.68983000 1.0
Mg Mg90 1 0.33989500 0.16994700 0.81017000 1.0
Mg Mg91 1 0.66010500 0.83005300 0.31017000 1.0
Mg Mg92 1 0.16994700 0.33989500 0.31017000 1.0
Mg Mg93 1 0.16994700 0.83005300 0.31017000 1.0
