Mg44Ir7
传统材料 TRAMP-ID: mp-569273 · 空间群: F-43m (#216)
基础信息
化学式
Mg44Ir7
MP-ID
mp-569273
元素数
2
位点数
102
密度
4.0409
g/cm³
体积
1,984.75
ų
晶胞参数 a
14.1061
Å
晶胞参数 b
14.1061
Å
晶胞参数 c
14.1061
Å
α 角
60.00
°
β 角
60.00
°
γ 角
60.00
°
空间群
F-43m
点群
-43m
晶体系统
Cubic
Bravais 格子
cF
稳定性
Yes
堆积分数
0.7405
能量属性
形成能/原子
-0.18718
eV/atom
能量/原子
-2.80698
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-11.0113
eV/atom
体积/原子
19.46
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
No
总磁矩
0.0000
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
Mg · 0.863
元素家族
N/A
溶质分数
0.137
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
A
评分
0.867
家族
Mg-based Alloy
基质元素
Mg · 0.863
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-569273
参考引用
The crystal structure and related material properties of Mg44Ir7 were obtained from the Materials Project database (MP-ID: mp-569273, 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_Mg44Ir7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.10608873
_cell_length_b 14.10608840
_cell_length_c 14.10609593
_cell_angle_alpha 59.99998234
_cell_angle_beta 59.99998312
_cell_angle_gamma 59.99996768
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mg44Ir7
_chemical_formula_sum 'Mg88 Ir14'
_cell_volume 1984.74551142
_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
Mg Mg0 1 0.51907411 0.86894358 0.09290836 1.0
Mg Mg1 1 0.44348093 0.66170540 0.23310924 1.0
Mg Mg2 1 0.85608222 0.64391785 0.64391778 1.0
Mg Mg3 1 0.78462693 0.78462697 -0.00015471 1.0
Mg Mg4 1 0.66170542 0.23310920 0.66170547 1.0
Mg Mg5 1 0.51907405 0.51907406 0.09290837 1.0
Mg Mg6 1 0.66170542 0.44348092 0.23310922 1.0
Mg Mg7 1 0.23310920 0.44348091 0.66170545 1.0
Mg Mg8 1 0.43869573 0.68391317 0.43869555 1.0
Mg Mg9 1 0.28038175 0.91381616 0.28038171 1.0
Mg Mg10 1 0.05187354 0.05187360 0.05187349 1.0
Mg Mg11 1 0.18065516 0.81934488 0.81934485 1.0
Mg Mg12 1 0.08808145 0.30397284 0.30397285 1.0
Mg Mg13 1 0.86894358 0.51907410 0.51907396 1.0
Mg Mg14 1 0.23310918 0.66170543 0.66170549 1.0
Mg Mg15 1 0.66521512 0.02036387 0.29405802 1.0
Mg Mg16 1 0.52542049 0.91381615 0.28038168 1.0
Mg Mg17 1 0.66170542 0.44348092 0.66170544 1.0
Mg Mg18 1 0.09290833 0.51907410 0.51907400 1.0
Mg Mg19 1 0.29405792 0.66521509 0.02036399 1.0
Mg Mg20 1 0.78462692 0.43090177 -0.00015467 1.0
Mg Mg21 1 0.68391317 0.43869565 0.43869559 1.0
Mg Mg22 1 0.84437939 0.05187354 0.05187354 1.0
Mg Mg23 1 0.51907405 0.51907406 0.86894351 1.0
Mg Mg24 1 0.18065516 0.81934488 0.18065512 1.0
Mg Mg25 1 0.23310918 0.66170543 0.44348091 1.0
Mg Mg26 1 0.05187352 0.84437938 0.05187355 1.0
Mg Mg27 1 0.43869565 0.43869563 0.43869554 1.0
Mg Mg28 1 0.09290833 0.51907410 0.86894357 1.0
Mg Mg29 1 0.86894362 0.09290829 0.51907405 1.0
Mg Mg30 1 0.66170545 0.66170546 0.44348086 1.0
Mg Mg31 1 0.02036386 0.66521512 0.02036398 1.0
Mg Mg32 1 0.43869565 0.43869563 0.68391318 1.0
Mg Mg33 1 0.29405796 0.02036390 0.66521520 1.0
Mg Mg34 1 0.66521516 0.29405791 0.02036397 1.0
Mg Mg35 1 0.49718789 0.16760377 0.16760367 1.0
Mg Mg36 1 0.78462692 -0.00015479 0.78462702 1.0
Mg Mg37 1 0.43090180 0.78462694 0.78462696 1.0
Mg Mg38 1 -0.00015472 0.43090178 0.78462697 1.0
Mg Mg39 1 0.30397284 0.08808144 0.30397286 1.0
Mg Mg40 1 0.78462693 0.78462697 0.43090181 1.0
Mg Mg41 1 0.28038175 0.91381616 0.52542038 1.0
Mg Mg42 1 0.81934490 0.18065516 0.18065509 1.0
Mg Mg43 1 0.85608216 0.85608219 0.64391783 1.0
Mg Mg44 1 0.43090180 0.78462694 -0.00015469 1.0
Mg Mg45 1 0.81934487 0.81934486 0.18065514 1.0
Mg Mg46 1 0.16760382 0.16760385 0.16760370 1.0
Mg Mg47 1 0.64391779 0.64391785 0.85608218 1.0
Mg Mg48 1 0.30397282 0.30397280 0.08808152 1.0
Mg Mg49 1 0.28038171 0.52542043 0.28038169 1.0
Mg Mg50 1 0.78462692 -0.00015479 0.43090184 1.0
Mg Mg51 1 0.51907414 0.09290834 0.51907399 1.0
Mg Mg52 1 0.16760378 0.49718787 0.16760368 1.0
Mg Mg53 1 0.29405796 0.02036390 0.02036394 1.0
Mg Mg54 1 0.02036384 0.02036387 0.29405808 1.0
Mg Mg55 1 0.52542044 0.28038173 0.91381616 1.0
Mg Mg56 1 0.81934490 0.18065516 0.81934485 1.0
Mg Mg57 1 0.02036390 0.29405794 0.02036395 1.0
Mg Mg58 1 0.66170542 0.23310920 0.44348091 1.0
Mg Mg59 1 0.66521512 0.02036387 0.02036398 1.0
Mg Mg60 1 0.02036384 0.02036387 0.66521522 1.0
Mg Mg61 1 0.28038171 0.52542043 0.91381617 1.0
Mg Mg62 1 0.86894358 0.51907410 0.09290836 1.0
Mg Mg63 1 0.64391786 0.85608223 0.85608211 1.0
Mg Mg64 1 0.51907414 0.09290834 0.86894353 1.0
Mg Mg65 1 0.28038171 0.28038173 0.91381608 1.0
Mg Mg66 1 0.91381611 0.28038175 0.28038170 1.0
Mg Mg67 1 0.91381611 0.28038175 0.52542043 1.0
Mg Mg68 1 0.52542044 0.28038173 0.28038167 1.0
Mg Mg69 1 0.16760382 0.16760385 0.49718763 1.0
Mg Mg70 1 0.02036390 0.29405794 0.66521521 1.0
Mg Mg71 1 0.44348093 0.66170540 0.66170544 1.0
Mg Mg72 1 0.02036386 0.66521512 0.29405805 1.0
Mg Mg73 1 0.85608222 0.64391785 0.85608214 1.0
Mg Mg74 1 0.78462692 0.43090177 0.78462698 1.0
Mg Mg75 1 -0.00015479 0.78462696 0.78462700 1.0
Mg Mg76 1 0.64391786 0.85608223 0.64391780 1.0
Mg Mg77 1 0.18065513 0.18065516 0.81934486 1.0
Mg Mg78 1 0.05187354 0.05187360 0.84437936 1.0
Mg Mg79 1 0.43090182 -0.00015473 0.78462696 1.0
Mg Mg80 1 0.28038171 0.28038173 0.52542048 1.0
Mg Mg81 1 0.09290831 0.86894361 0.51907404 1.0
Mg Mg82 1 0.66170545 0.66170546 0.23310924 1.0
Mg Mg83 1 0.91381613 0.52542045 0.28038171 1.0
Mg Mg84 1 0.44348094 0.23310917 0.66170544 1.0
Mg Mg85 1 0.51907411 0.86894358 0.51907395 1.0
Mg Mg86 1 -0.00015479 0.78462696 0.43090183 1.0
Mg Mg87 1 0.30397282 0.30397280 0.30397286 1.0
Ir Ir88 1 0.41314537 0.08685470 0.41314519 1.0
Ir Ir89 1 0.24982363 0.91672580 0.91672578 1.0
Ir Ir90 1 0.65154009 0.65154006 0.04538083 1.0
Ir Ir91 1 0.65154015 0.04538067 0.65154009 1.0
Ir Ir92 1 0.91672565 0.91672574 0.24982375 1.0
Ir Ir93 1 0.91672565 0.91672574 0.91672586 1.0
Ir Ir94 1 0.91672567 0.24982371 0.91672581 1.0
Ir Ir95 1 0.08685471 0.08685465 0.41314532 1.0
Ir Ir96 1 0.08685473 0.41314531 0.08685472 1.0
Ir Ir97 1 0.04538072 0.65154017 0.65154005 1.0
Ir Ir98 1 0.65154009 0.65154006 0.65154002 1.0
Ir Ir99 1 0.41314535 0.41314518 0.08685473 1.0
Ir Ir100 1 0.41314537 0.08685470 0.08685474 1.0
Ir Ir101 1 0.08685473 0.41314531 0.41314524 1.0