EuH32C8N4Cl7
高熵材料 HEAMP-ID: mp-863015 · 空间群: P2_12_12 (#18)
基础信息
化学式
EuH32C8N4Cl7
MP-ID
mp-863015
元素数
5
位点数
104
密度
1.5357
g/cm³
体积
1,264.06
ų
晶胞参数 a
8.8579
Å
晶胞参数 b
10.5582
Å
晶胞参数 c
13.5159
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
P2_12_12
点群
222
晶体系统
Orthorhombic
Bravais 格子
oP
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.52760
eV/atom
能量/原子
-5.12518
eV/atom
凸包距离
0.0803
eV/atom
未修正能量
-5.0425
eV/atom
体积/原子
12.15
ų
c/a 比
1.5259
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
11.9963
μB
磁有序
FM
磁性位点数
2
磁化强度/体积
0.009490
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
H · 0.615
元素家族
Alkali-AlkEarth
溶质分数
0.385
间隙分数
0.231
综合指标雷达（归一化）
元素类别占比
混合熵 ΔS/R
1.1300
高熵判据（>1.0 视为高熵）
混合熵 ΔS
9.3947
J/mol·K
Ω 参数
17.3715
Ω > 1.1 利于固溶体形成
原子尺寸错配 δr
70.169%
δr < 6.6% 利于单相固溶
电负性差 Δχ
0.4052
越小混合越稳定
VEC
2.423
价电子浓度，影响相稳定性
混合焓 ΔH_mix
-0.349
kJ/mol 且负值为放热混合
熵归一化
0.7021
固溶体倾向
0
相趋势
IM
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-863015
参考引用
The crystal structure and related material properties of EuH32C8N4Cl7 were obtained from the Materials Project database (MP-ID: mp-863015, 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
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样式: Ball & Stick
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原始 CIF 数据
# generated using pymatgen
data_EuH32C8N4Cl7
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.85791500
_cell_length_b 10.55819900
_cell_length_c 13.51591500
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural EuH32C8N4Cl7
_chemical_formula_sum 'Eu2 H64 C16 N8 Cl14'
_cell_volume 1264.05742404
_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
Eu Eu0 1 0.92936500 0.50000000 0.00000000 1.0
Eu Eu1 1 0.07063500 0.00000000 0.50000000 1.0
H H2 1 0.97696500 0.77266700 0.17396200 1.0
H H3 1 0.97696500 0.22733300 0.82603800 1.0
H H4 1 0.02303500 0.72733300 0.67396200 1.0
H H5 1 0.02303500 0.27266700 0.32603800 1.0
H H6 1 0.96210700 0.88945900 0.25607800 1.0
H H7 1 0.96210700 0.11054100 0.74392200 1.0
H H8 1 0.03789300 0.61054100 0.75607800 1.0
H H9 1 0.03789300 0.38945900 0.24392200 1.0
H H10 1 0.62458400 0.67823200 0.93376500 1.0
H H11 1 0.62458400 0.32176800 0.06623500 1.0
H H12 1 0.37541600 0.82176800 0.43376500 1.0
H H13 1 0.37541600 0.17823200 0.56623500 1.0
H H14 1 0.54252500 0.82191000 0.94211200 1.0
H H15 1 0.54252500 0.17809000 0.05788800 1.0
H H16 1 0.45747500 0.67809000 0.44211200 1.0
H H17 1 0.45747500 0.32191000 0.55788800 1.0
H H18 1 0.54597900 0.65740300 0.76246800 1.0
H H19 1 0.54597900 0.34259700 0.23753200 1.0
H H20 1 0.45402100 0.84259700 0.26246800 1.0
H H21 1 0.45402100 0.15740300 0.73753200 1.0
H H22 1 0.66157900 0.79369600 0.78308300 1.0
H H23 1 0.66157900 0.20630400 0.21691700 1.0
H H24 1 0.33842100 0.70630400 0.28308300 1.0
H H25 1 0.33842100 0.29369600 0.71691700 1.0
H H26 1 0.46203700 0.81157500 0.77161700 1.0
H H27 1 0.46203700 0.18842500 0.22838300 1.0
H H28 1 0.53796300 0.68842500 0.27161700 1.0
H H29 1 0.53796300 0.31157500 0.72838300 1.0
H H30 1 0.81398400 0.01595700 0.14111100 1.0
H H31 1 0.81398400 0.98404300 0.85888900 1.0
H H32 1 0.18601600 0.48404300 0.64111100 1.0
H H33 1 0.18601600 0.51595700 0.35888900 1.0
H H34 1 0.72878000 0.86651300 0.16908200 1.0
H H35 1 0.72878000 0.13348700 0.83091800 1.0
H H36 1 0.27122000 0.63348700 0.66908200 1.0
H H37 1 0.27122000 0.36651300 0.33091800 1.0
H H38 1 0.82602100 0.88723600 0.05492200 1.0
H H39 1 0.82602100 0.11276400 0.94507800 1.0
H H40 1 0.17397900 0.61276400 0.55492200 1.0
H H41 1 0.17397900 0.38723600 0.44507800 1.0
H H42 1 0.12087500 0.89990300 0.06269500 1.0
H H43 1 0.12087500 0.10009700 0.93730500 1.0
H H44 1 0.87912500 0.60009700 0.56269500 1.0
H H45 1 0.87912500 0.39990300 0.43730500 1.0
H H46 1 0.20390500 0.89947400 0.18296200 1.0
H H47 1 0.20390500 0.10052600 0.81703800 1.0
H H48 1 0.79609500 0.60052600 0.68296200 1.0
H H49 1 0.79609500 0.39947400 0.31703800 1.0
H H50 1 0.09593700 0.03293400 0.14346800 1.0
H H51 1 0.09593700 0.96706600 0.85653200 1.0
H H52 1 0.90406300 0.46706600 0.64346800 1.0
H H53 1 0.90406300 0.53293400 0.35653200 1.0
H H54 1 0.29705100 0.72894500 0.91048700 1.0
H H55 1 0.29705100 0.27105500 0.08951300 1.0
H H56 1 0.70294900 0.77105500 0.41048700 1.0
H H57 1 0.70294900 0.22894500 0.58951300 1.0
H H58 1 0.38619000 0.66649600 0.01835300 1.0
H H59 1 0.38619000 0.33350400 0.98164700 1.0
H H60 1 0.61381000 0.83350400 0.51835300 1.0
H H61 1 0.61381000 0.16649600 0.48164700 1.0
H H62 1 0.38552200 0.57656800 0.90643700 1.0
H H63 1 0.38552200 0.42343200 0.09356300 1.0
H H64 1 0.61447800 0.92343200 0.40643700 1.0
H H65 1 0.61447800 0.07656800 0.59356300 1.0
C C66 1 0.55221800 0.74985600 0.79871000 1.0
C C67 1 0.55221800 0.25014400 0.20129000 1.0
C C68 1 0.44778200 0.75014400 0.29871000 1.0
C C69 1 0.44778200 0.24985600 0.70129000 1.0
C C70 1 0.82390300 0.91356000 0.13304600 1.0
C C71 1 0.82390300 0.08644000 0.86695400 1.0
C C72 1 0.17609700 0.58644000 0.63304600 1.0
C C73 1 0.17609700 0.41356000 0.36695400 1.0
C C74 1 0.10656300 0.93002300 0.13942500 1.0
C C75 1 0.10656300 0.06997700 0.86057500 1.0
C C76 1 0.89343700 0.56997700 0.63942500 1.0
C C77 1 0.89343700 0.43002300 0.36057500 1.0
C C78 1 0.39133200 0.67187100 0.93759900 1.0
C C79 1 0.39133200 0.32812900 0.06240100 1.0
C C80 1 0.60866800 0.82812900 0.43759900 1.0
C C81 1 0.60866800 0.17187100 0.56240100 1.0
N N82 1 0.96697400 0.87028800 0.18080700 1.0
N N83 1 0.96697400 0.12971200 0.81919300 1.0
N N84 1 0.03302600 0.62971200 0.68080700 1.0
N N85 1 0.03302600 0.37028800 0.31919300 1.0
N N86 1 0.53622900 0.73234100 0.90757200 1.0
N N87 1 0.53622900 0.26765900 0.09242800 1.0
N N88 1 0.46377100 0.76765900 0.40757200 1.0
N N89 1 0.46377100 0.23234100 0.59242800 1.0
Cl Cl90 1 0.93777400 0.73082900 0.90709000 1.0
Cl Cl91 1 0.93777400 0.26917100 0.09291000 1.0
Cl Cl92 1 0.06222600 0.76917100 0.40709000 1.0
Cl Cl93 1 0.06222600 0.23082900 0.59291000 1.0
Cl Cl94 1 0.12715900 0.58560100 0.14097200 1.0
Cl Cl95 1 0.12715900 0.41439900 0.85902800 1.0
Cl Cl96 1 0.87284100 0.91439900 0.64097200 1.0
Cl Cl97 1 0.87284100 0.08560100 0.35902800 1.0
Cl Cl98 1 0.70074700 0.42061400 0.87940500 1.0
Cl Cl99 1 0.70074700 0.57938600 0.12059500 1.0
Cl Cl100 1 0.29925300 0.07938600 0.37940500 1.0
Cl Cl101 1 0.29925300 0.92061400 0.62059500 1.0
Cl Cl102 1 0.48100300 0.00000000 0.00000000 1.0
Cl Cl103 1 0.51899700 0.50000000 0.50000000 1.0
