Be17Os3
传统材料 TRAMP-ID: mp-1199166 · 空间群: Im-3 (#204)
基础信息
化学式
Be17Os3
MP-ID
mp-1199166
元素数
2
位点数
80
密度
6.7051
g/cm³
体积
717.10
ų
晶胞参数 a
9.7664
Å
晶胞参数 b
9.7664
Å
晶胞参数 c
9.7664
Å
α 角
109.47
°
β 角
109.47
°
γ 角
109.47
°
空间群
Im-3
点群
m-3
晶体系统
Cubic
Bravais 格子
cI
稳定性
Yes
堆积分数
0.6802
能量属性
形成能/原子
-0.27251
eV/atom
能量/原子
-5.13511
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-5.1351
eV/atom
体积/原子
8.96
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
Yes
总磁矩
0.4227
μB
磁有序
Unknown
磁性位点数
0
磁化强度/体积
0.000590
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
Be · 0.850
元素家族
N/A
溶质分数
0.150
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.706
家族
Binary Alloy
基质元素
Be · 0.850
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-1199166
参考引用
The crystal structure and related material properties of Be17Os3 were obtained from the Materials Project database (MP-ID: mp-1199166, 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_Be17Os3
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.76637598
_cell_length_b 9.76637598
_cell_length_c 9.76637598
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_symmetry_Int_Tables_number 1
_chemical_formula_structural Be17Os3
_chemical_formula_sum 'Be68 Os12'
_cell_volume 717.09786160
_cell_formula_units_Z 4
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
Be Be0 1 0.59715298 -0.00000000 0.59715298 1.0
Be Be1 1 0.40284702 0.00000000 0.40284702 1.0
Be Be2 1 0.00000000 0.59715298 0.59715298 1.0
Be Be3 1 0.00000000 0.40284702 0.40284702 1.0
Be Be4 1 0.59715298 0.59715298 -0.00000000 1.0
Be Be5 1 0.40284702 0.40284702 -0.00000000 1.0
Be Be6 1 0.30480578 0.50000000 0.80480578 1.0
Be Be7 1 0.69519422 0.50000000 0.19519422 1.0
Be Be8 1 0.50000000 0.80480578 0.30480578 1.0
Be Be9 1 0.50000000 0.19519422 0.69519422 1.0
Be Be10 1 0.80480578 0.30480578 0.50000000 1.0
Be Be11 1 0.19519422 0.69519422 0.50000000 1.0
Be Be12 1 -0.00000000 -0.00000000 0.67165801 1.0
Be Be13 1 0.67165801 -0.00000000 0.00000000 1.0
Be Be14 1 -0.00000000 0.67165801 0.00000000 1.0
Be Be15 1 0.32834199 0.32834199 0.32834199 1.0
Be Be16 1 0.00000000 -0.00000000 0.32834199 1.0
Be Be17 1 0.32834199 0.00000000 -0.00000000 1.0
Be Be18 1 -0.00000000 0.32834199 -0.00000000 1.0
Be Be19 1 0.67165801 0.67165801 0.67165801 1.0
Be Be20 1 0.09289499 0.86005774 0.76716276 1.0
Be Be21 1 0.90710501 0.13994226 0.23283724 1.0
Be Be22 1 0.90710501 0.67426777 0.76716276 1.0
Be Be23 1 0.09289499 0.32573223 0.23283724 1.0
Be Be24 1 0.86005774 0.76716276 0.09289499 1.0
Be Be25 1 0.13994226 0.23283724 0.90710501 1.0
Be Be26 1 0.67426777 0.76716276 0.90710501 1.0
Be Be27 1 0.32573223 0.23283724 0.09289499 1.0
Be Be28 1 0.76716276 0.09289499 0.86005774 1.0
Be Be29 1 0.23283724 0.90710501 0.13994226 1.0
Be Be30 1 0.76716276 0.90710501 0.67426777 1.0
Be Be31 1 0.23283724 0.09289499 0.32573223 1.0
Be Be32 1 0.34933937 0.94476735 0.59542698 1.0
Be Be33 1 0.65066063 0.05523265 0.40457302 1.0
Be Be34 1 0.65066063 0.24608761 0.59542698 1.0
Be Be35 1 0.34933937 0.75391239 0.40457302 1.0
Be Be36 1 0.94476735 0.59542698 0.34933937 1.0
Be Be37 1 0.05523265 0.40457302 0.65066063 1.0
Be Be38 1 0.24608761 0.59542698 0.65066063 1.0
Be Be39 1 0.75391239 0.40457302 0.34933937 1.0
Be Be40 1 0.59542698 0.34933937 0.94476735 1.0
Be Be41 1 0.40457302 0.65066063 0.05523265 1.0
Be Be42 1 0.59542698 0.65066063 0.24608761 1.0
Be Be43 1 0.40457302 0.34933937 0.75391239 1.0
Be Be44 1 0.13970364 0.22601916 0.68420344 1.0
Be Be45 1 0.45818428 0.77398084 0.91368548 1.0
Be Be46 1 0.86029636 0.54449881 0.08631452 1.0
Be Be47 1 0.54181572 0.45550119 0.31579656 1.0
Be Be48 1 0.22601916 0.68420344 0.13970364 1.0
Be Be49 1 0.77398084 0.91368548 0.45818428 1.0
Be Be50 1 0.54449881 0.08631452 0.86029636 1.0
Be Be51 1 0.45550119 0.31579656 0.54181572 1.0
Be Be52 1 0.68420344 0.13970364 0.22601916 1.0
Be Be53 1 0.91368548 0.45818428 0.77398084 1.0
Be Be54 1 0.08631452 0.86029636 0.54449881 1.0
Be Be55 1 0.31579656 0.54181572 0.45550119 1.0
Be Be56 1 0.86029636 0.77398084 0.31579656 1.0
Be Be57 1 0.54181572 0.22601916 0.08631452 1.0
Be Be58 1 0.13970364 0.45550119 0.91368548 1.0
Be Be59 1 0.45818428 0.54449881 0.68420344 1.0
Be Be60 1 0.77398084 0.31579656 0.86029636 1.0
Be Be61 1 0.22601916 0.08631452 0.54181572 1.0
Be Be62 1 0.45550119 0.91368548 0.13970364 1.0
Be Be63 1 0.54449881 0.68420344 0.45818428 1.0
Be Be64 1 0.31579656 0.86029636 0.77398084 1.0
Be Be65 1 0.08631452 0.54181572 0.22601916 1.0
Be Be66 1 0.91368548 0.13970364 0.45550119 1.0
Be Be67 1 0.68420344 0.45818428 0.54449881 1.0
Os Os68 1 0.30109542 0.11245612 0.81136070 1.0
Os Os69 1 0.69890458 0.88754388 0.18863930 1.0
Os Os70 1 0.69890458 0.51026528 0.81136070 1.0
Os Os71 1 0.30109542 0.48973472 0.18863930 1.0
Os Os72 1 0.11245612 0.81136070 0.30109542 1.0
Os Os73 1 0.88754388 0.18863930 0.69890458 1.0
Os Os74 1 0.51026528 0.81136070 0.69890458 1.0
Os Os75 1 0.48973472 0.18863930 0.30109542 1.0
Os Os76 1 0.81136070 0.30109542 0.11245612 1.0
Os Os77 1 0.18863930 0.69890458 0.88754388 1.0
Os Os78 1 0.81136070 0.69890458 0.51026528 1.0
Os Os79 1 0.18863930 0.30109542 0.48973472 1.0