Eu6Sb6S17
传统材料 TRAMP-ID: mp-1198785 · 空间群: P2_12_12_1 (#19)
基础信息
化学式
Eu6Sb6S17
MP-ID
mp-1198785
元素数
3
位点数
116
密度
4.9546
g/cm³
体积
2,932.50
ų
晶胞参数 a
8.3060
Å
晶胞参数 b
15.4066
Å
晶胞参数 c
22.9159
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
P2_12_12_1
点群
222
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
-1.31887
eV/atom
能量/原子
-6.72709
eV/atom
凸包距离
0.0000
eV/atom
未修正能量
-6.4322
eV/atom
体积/原子
25.28
ų
c/a 比
2.7590
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
167.0602
μB
磁有序
FM
磁性位点数
24
磁化强度/体积
0.056970
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 · 0.586
元素家族
N/A
溶质分数
0.414
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.524
家族
S-rich Multi-Component
基质元素
S · 0.586
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-1198785
参考引用
The crystal structure and related material properties of Eu6Sb6S17 were obtained from the Materials Project database (MP-ID: mp-1198785, 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_Eu6Sb6S17
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 8.30603600
_cell_length_b 15.40663587
_cell_length_c 22.91590706
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Eu6Sb6S17
_chemical_formula_sum 'Eu24 Sb24 S68'
_cell_volume 2932.50444861
_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 0.24889659 0.05036514 0.28715914 1.0
Eu Eu1 1 0.25110341 0.94963486 0.78715914 1.0
Eu Eu2 1 0.74889659 0.44963486 0.71284086 1.0
Eu Eu3 1 0.75110341 0.55036514 0.21284086 1.0
Eu Eu4 1 0.74644609 0.05552021 0.28870998 1.0
Eu Eu5 1 0.75355391 0.94447979 0.78870998 1.0
Eu Eu6 1 0.24644609 0.44447979 0.71129002 1.0
Eu Eu7 1 0.25355391 0.55552021 0.21129002 1.0
Eu Eu8 1 0.74266659 0.94180091 0.45617854 1.0
Eu Eu9 1 0.75733341 0.05819909 0.95617854 1.0
Eu Eu10 1 0.24266659 0.55819909 0.54382146 1.0
Eu Eu11 1 0.25733341 0.44180091 0.04382146 1.0
Eu Eu12 1 0.24940908 0.93900218 0.45478065 1.0
Eu Eu13 1 0.25059092 0.06099782 0.95478065 1.0
Eu Eu14 1 0.74940908 0.56099782 0.54521935 1.0
Eu Eu15 1 0.75059092 0.43900218 0.04521935 1.0
Eu Eu16 1 0.24397386 0.83392576 0.62274045 1.0
Eu Eu17 1 0.25602614 0.16607424 0.12274045 1.0
Eu Eu18 1 0.74397386 0.66607424 0.37725955 1.0
Eu Eu19 1 0.75602614 0.33392576 0.87725955 1.0
Eu Eu20 1 0.75036474 0.83337479 0.62385945 1.0
Eu Eu21 1 0.74963526 0.16662521 0.12385945 1.0
Eu Eu22 1 0.25036474 0.66662521 0.37614055 1.0
Eu Eu23 1 0.24963526 0.33337479 0.87614055 1.0
Sb Sb24 1 0.02249011 0.29391846 0.26795535 1.0
Sb Sb25 1 0.47750989 0.70608154 0.76795535 1.0
Sb Sb26 1 0.52249011 0.20608154 0.73204465 1.0
Sb Sb27 1 0.97750989 0.79391846 0.23204465 1.0
Sb Sb28 1 0.98822060 0.18262186 0.41512109 1.0
Sb Sb29 1 0.51177940 0.81737814 0.91512109 1.0
Sb Sb30 1 0.48822060 0.31737814 0.58487891 1.0
Sb Sb31 1 0.01177940 0.68262186 0.08487891 1.0
Sb Sb32 1 0.50600565 0.17561322 0.44024147 1.0
Sb Sb33 1 0.99399435 0.82438678 0.94024147 1.0
Sb Sb34 1 0.00600565 0.32438678 0.55975853 1.0
Sb Sb35 1 0.49399435 0.67561322 0.05975853 1.0
Sb Sb36 1 0.46672013 0.07815729 0.59253412 1.0
Sb Sb37 1 0.03327987 0.92184271 0.09253412 1.0
Sb Sb38 1 0.96672013 0.42184271 0.40746588 1.0
Sb Sb39 1 0.53327987 0.57815729 0.90746588 1.0
Sb Sb40 1 0.98063056 0.07295947 0.60815331 1.0
Sb Sb41 1 0.51936944 0.92704053 0.10815331 1.0
Sb Sb42 1 0.48063056 0.42704053 0.39184669 1.0
Sb Sb43 1 0.01936944 0.57295947 0.89184669 1.0
Sb Sb44 1 0.00002815 0.69093867 0.75056967 1.0
Sb Sb45 1 0.49997185 0.30906133 0.25056967 1.0
Sb Sb46 1 0.50002815 0.80906133 0.24943033 1.0
Sb Sb47 1 -0.00002815 0.19093867 0.74943033 1.0
S S48 1 0.49857649 0.70376836 0.57222953 1.0
S S49 1 0.00142351 0.29623164 0.07222953 1.0
S S50 1 0.99857649 0.79623164 0.42777047 1.0
S S51 1 0.50142351 0.20376836 0.92777047 1.0
S S52 1 0.64154431 0.74864507 0.50156142 1.0
S S53 1 0.85845569 0.25135493 0.00156142 1.0
S S54 1 0.14154431 0.75135493 0.49843858 1.0
S S55 1 0.35845569 0.24864507 0.99843858 1.0
S S56 1 0.50341544 0.79409150 0.42990778 1.0
S S57 1 0.99658456 0.20590850 0.92990778 1.0
S S58 1 0.00341544 0.70590850 0.57009222 1.0
S S59 1 0.49658456 0.29409150 0.07009222 1.0
S S60 1 0.99967790 0.15014365 0.21822800 1.0
S S61 1 0.50032210 0.84985635 0.71822800 1.0
S S62 1 0.49967790 0.34985635 0.78177200 1.0
S S63 1 0.00032210 0.65014365 0.28177200 1.0
S S64 1 0.21642247 0.23117979 0.34289803 1.0
S S65 1 0.28357753 0.76882021 0.84289803 1.0
S S66 1 0.71642247 0.26882021 0.65710197 1.0
S S67 1 0.78357753 0.73117979 0.15710197 1.0
S S68 1 0.76935753 0.22951401 0.34960908 1.0
S S69 1 0.73064247 0.77048599 0.84960908 1.0
S S70 1 0.26935753 0.27048599 0.65039092 1.0
S S71 1 0.23064247 0.72951401 0.15039092 1.0
S S72 1 0.99721579 0.02815219 0.38025372 1.0
S S73 1 0.50278421 0.97184781 0.88025372 1.0
S S74 1 0.49721579 0.47184781 0.61974628 1.0
S S75 1 0.00278421 0.52815219 0.11974628 1.0
S S76 1 0.49602430 0.03690546 0.38231956 1.0
S S77 1 0.00397570 0.96309454 0.88231956 1.0
S S78 1 0.99602430 0.46309454 0.61768044 1.0
S S79 1 0.50397570 0.53690546 0.11768044 1.0
S S80 1 0.72501077 0.12564802 0.50495350 1.0
S S81 1 0.77498923 0.87435198 0.00495350 1.0
S S82 1 0.22501077 0.37435198 0.49504650 1.0
S S83 1 0.27498923 0.62564802 0.99504650 1.0
S S84 1 0.27529485 0.12294311 0.50925744 1.0
S S85 1 0.22470515 0.87705689 0.00925744 1.0
S S86 1 0.77529485 0.37705689 0.49074256 1.0
S S87 1 0.72470515 0.62294311 0.99074256 1.0
S S88 1 0.49276285 0.93026406 0.55313732 1.0
S S89 1 0.00723715 0.06973594 0.05313732 1.0
S S90 1 0.99276285 0.56973594 0.44686268 1.0
S S91 1 0.50723715 0.43026406 0.94686268 1.0
S S92 1 0.99083379 0.93655524 0.55032016 1.0
S S93 1 0.50916621 0.06344476 0.05032016 1.0
S S94 1 0.49083379 0.56344476 0.44967984 1.0
S S95 1 0.00916621 0.43655524 0.94967984 1.0
S S96 1 0.23314219 0.02525552 0.66427084 1.0
S S97 1 0.26685781 0.97474448 0.16427084 1.0
S S98 1 0.73314219 0.47474448 0.33572916 1.0
S S99 1 0.76685781 0.52525552 0.83572916 1.0
S S100 1 0.75660910 0.02148447 0.67030130 1.0
S S101 1 0.74339090 0.97851553 0.17030130 1.0
S S102 1 0.25660910 0.47851553 0.32969870 1.0
S S103 1 0.24339090 0.52148447 0.82969870 1.0
S S104 1 0.25162170 0.65338376 0.69179906 1.0
S S105 1 0.24837830 0.34661624 0.19179906 1.0
S S106 1 0.75162170 0.84661624 0.30820094 1.0
S S107 1 0.74837830 0.15338376 0.80820094 1.0
S S108 1 0.78714915 0.64552304 0.68195515 1.0
S S109 1 0.71285085 0.35447696 0.18195515 1.0
S S110 1 0.28714915 0.85447696 0.31804485 1.0
S S111 1 0.21285085 0.14552304 0.81804485 1.0
S S112 1 0.00168679 0.84654042 0.71999907 1.0
S S113 1 0.49831321 0.15345958 0.21999907 1.0
S S114 1 0.50168679 0.65345958 0.28000093 1.0
S S115 1 0.99831321 0.34654042 0.78000093 1.0