Eu3Sb4S9
传统材料 TRAMP-ID: mp-684111 · 空间群: Pnma (#62)
基础信息
化学式
Eu3Sb4S9
MP-ID
mp-684111
元素数
3
位点数
64
密度
5.1970
g/cm³
体积
1,573.98
ų
晶胞参数 a
4.0222
Å
晶胞参数 b
16.4758
Å
晶胞参数 c
23.7515
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pnma
点群
mmm
晶体系统
Orthorhombic
Bravais 格子
oP
稳定性
Yes
堆积分数
-
能量属性
形成能/原子
-1.24246
eV/atom
能量/原子
-6.53102
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-6.2481
eV/atom
体积/原子
24.59
ų
c/a 比
5.9051
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
27.5414
μB
磁有序
FiM
磁性位点数
12
磁化强度/体积
0.017500
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
S · 0.563
元素家族
N/A
溶质分数
0.438
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.515
家族
S-rich Multi-Component
基质元素
S · 0.563
关联任务
关联的计算任务 ID（1 个）
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-684111
参考引用
The crystal structure and related material properties of Eu3Sb4S9 were obtained from the Materials Project database (MP-ID: mp-684111, 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_Eu3Sb4S9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.02217890
_cell_length_b 16.47576436
_cell_length_c 23.75153946
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Eu3Sb4S9
_chemical_formula_sum 'Eu12 Sb16 S36'
_cell_volume 1573.97822220
_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
Eu Eu0 1 0.25000000 0.82243251 0.17780743 1.0
Eu Eu1 1 0.75000000 0.17756749 0.82219257 1.0
Eu Eu2 1 0.75000000 0.44727353 0.76646899 1.0
Eu Eu3 1 0.25000000 0.62290522 0.05369001 1.0
Eu Eu4 1 0.75000000 0.37709478 0.94630999 1.0
Eu Eu5 1 0.25000000 0.32243251 0.32219257 1.0
Eu Eu6 1 0.25000000 0.12290522 0.44630999 1.0
Eu Eu7 1 0.75000000 0.67756749 0.67780743 1.0
Eu Eu8 1 0.25000000 0.55272647 0.23353101 1.0
Eu Eu9 1 0.25000000 0.05272647 0.26646899 1.0
Eu Eu10 1 0.75000000 0.94727353 0.73353101 1.0
Eu Eu11 1 0.75000000 0.87709478 0.55369001 1.0
Sb Sb12 1 0.25000000 0.97294933 0.89562479 1.0
Sb Sb13 1 0.75000000 0.52705067 0.39562479 1.0
Sb Sb14 1 0.25000000 0.09063452 0.60711261 1.0
Sb Sb15 1 0.75000000 0.83444284 0.00598212 1.0
Sb Sb16 1 0.75000000 0.40936548 0.10711261 1.0
Sb Sb17 1 0.75000000 0.24136840 0.17426949 1.0
Sb Sb18 1 0.25000000 0.16555716 0.99401788 1.0
Sb Sb19 1 0.25000000 0.59063452 0.89288739 1.0
Sb Sb20 1 0.75000000 0.90936548 0.39288739 1.0
Sb Sb21 1 0.25000000 0.47294933 0.60437521 1.0
Sb Sb22 1 0.25000000 0.75863160 0.82573051 1.0
Sb Sb23 1 0.25000000 0.66555716 0.50598212 1.0
Sb Sb24 1 0.25000000 0.25863160 0.67426949 1.0
Sb Sb25 1 0.75000000 0.74136840 0.32573051 1.0
Sb Sb26 1 0.75000000 0.33444284 0.49401788 1.0
Sb Sb27 1 0.75000000 0.02705067 0.10437521 1.0
S S28 1 0.75000000 0.06095038 0.93313884 1.0
S S29 1 0.75000000 0.95731583 0.19693875 1.0
S S30 1 0.25000000 0.75557514 0.96468383 1.0
S S31 1 0.25000000 0.24947355 0.90760550 1.0
S S32 1 0.25000000 0.13614490 0.15309493 1.0
S S33 1 0.75000000 0.63385159 0.80460583 1.0
S S34 1 0.25000000 0.63614490 0.34690507 1.0
S S35 1 0.25000000 0.43904962 0.43313884 1.0
S S36 1 0.25000000 0.79983733 0.72595240 1.0
S S37 1 0.25000000 0.25557514 0.53531617 1.0
S S38 1 0.75000000 0.20016267 0.27404760 1.0
S S39 1 0.25000000 0.04268417 0.80306125 1.0
S S40 1 0.25000000 0.36614841 0.19539417 1.0
S S41 1 0.75000000 0.86385510 0.84690507 1.0
S S42 1 0.75000000 0.55308480 0.13730622 1.0
S S43 1 0.75000000 0.70016267 0.22595240 1.0
S S44 1 0.75000000 0.24442486 0.03531617 1.0
S S45 1 0.25000000 0.74947355 0.59239450 1.0
S S46 1 0.25000000 0.93904962 0.06686116 1.0
S S47 1 0.75000000 0.25052645 0.40760550 1.0
S S48 1 0.75000000 0.56095038 0.56686116 1.0
S S49 1 0.75000000 0.36385510 0.65309493 1.0
S S50 1 0.25000000 0.94691520 0.63730622 1.0
S S51 1 0.75000000 0.75052645 0.09239450 1.0
S S52 1 0.75000000 0.13385159 0.69539417 1.0
S S53 1 0.75000000 0.56096426 0.96479625 1.0
S S54 1 0.25000000 0.54268417 0.69693875 1.0
S S55 1 0.75000000 0.06096426 0.53520375 1.0
S S56 1 0.25000000 0.86614841 0.30460583 1.0
S S57 1 0.25000000 0.93903574 0.46479625 1.0
S S58 1 0.25000000 0.43903574 0.03520375 1.0
S S59 1 0.25000000 0.29983733 0.77404760 1.0
S S60 1 0.25000000 0.44691520 0.86269378 1.0
S S61 1 0.75000000 0.45731583 0.30306125 1.0
S S62 1 0.75000000 0.74442486 0.46468383 1.0
S S63 1 0.75000000 0.05308480 0.36269378 1.0