Ce10S14O
传统材料 TRAMP-ID: mp-579209 · 空间群: I4_1/acd (#142)
基础信息
化学式
Ce10S14O
MP-ID
mp-579209
元素数
3
位点数
100
密度
5.4697
g/cm³
体积
2,266.06
ų
晶胞参数 a
14.6068
Å
晶胞参数 b
14.6068
Å
晶胞参数 c
14.6068
Å
α 角
117.99
°
β 角
117.99
°
γ 角
93.52
°
空间群
I4_1/acd
点群
4/mmm
晶体系统
Tetragonal
Bravais 格子
tI
稳定性
No
堆积分数
-
能量属性
形成能/原子
-2.41523
eV/atom
能量/原子
-7.30487
eV/atom
凸包距离
0.0214
eV/atom
未修正能量
-6.9957
eV/atom
体积/原子
22.66
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
40.2918
μB
磁有序
FM
磁性位点数
40
磁化强度/体积
0.017780
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 · 0.560
元素家族
N/A
溶质分数
0.440
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.582
家族
S-rich Multi-Component
基质元素
S · 0.560
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-579209
参考引用
The crystal structure and related material properties of Ce10S14O were obtained from the Materials Project database (MP-ID: mp-579209, 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_Ce10S14O
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 14.60678966
_cell_length_b 14.60678966
_cell_length_c 14.60678966
_cell_angle_alpha 117.98832883
_cell_angle_beta 117.98832883
_cell_angle_gamma 93.52112839
_symmetry_Int_Tables_number 1
_chemical_formula_structural Ce10S14O
_chemical_formula_sum 'Ce40 S56 O4'
_cell_volume 2266.06122561
_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
Ce Ce0 1 0.29352400 0.14422100 0.59256100 1.0
Ce Ce1 1 0.67605000 0.04962600 0.36083500 1.0
Ce Ce2 1 0.85577900 0.44834000 0.14930300 1.0
Ce Ce3 1 0.79352400 0.20096300 0.14930300 1.0
Ce Ce4 1 0.86441500 0.63558500 0.50000000 1.0
Ce Ce5 1 0.57395000 0.43478500 0.87357500 1.0
Ce Ce6 1 0.45647600 0.10577900 0.90743900 1.0
Ce Ce7 1 0.05166000 0.64422100 0.85069700 1.0
Ce Ce8 1 0.45096300 0.54352400 0.64930300 1.0
Ce Ce9 1 0.95647600 0.04903700 0.35069700 1.0
Ce Ce10 1 0.39422100 0.04352400 0.09256100 1.0
Ce Ce11 1 0.55166000 0.70096300 0.40743900 1.0
Ce Ce12 1 0.68478500 0.32395000 0.37357500 1.0
Ce Ce13 1 0.18478500 0.81121000 0.36083500 1.0
Ce Ce14 1 0.29903700 0.70647600 0.85069700 1.0
Ce Ce15 1 0.13558500 0.36441500 0.50000000 1.0
Ce Ce16 1 0.95037400 0.31121000 0.62642500 1.0
Ce Ce17 1 0.45037400 0.82395000 0.63916500 1.0
Ce Ce18 1 0.06521500 0.92605000 0.12642500 1.0
Ce Ce19 1 0.63558500 0.13558500 0.77117000 1.0
Ce Ce20 1 0.11441500 0.11441500 0.72883000 1.0
Ce Ce21 1 0.36441500 0.86441500 0.22883000 1.0
Ce Ce22 1 0.06121000 0.93478500 0.86083500 1.0
Ce Ce23 1 0.56521500 0.43879000 0.13916500 1.0
Ce Ce24 1 0.61441500 0.88558500 0.00000000 1.0
Ce Ce25 1 0.18879000 0.54962600 0.37357500 1.0
Ce Ce26 1 0.79903700 0.94834000 0.59256100 1.0
Ce Ce27 1 0.89422100 0.80166000 0.35069700 1.0
Ce Ce28 1 0.88558500 0.61441500 0.00000000 1.0
Ce Ce29 1 0.95096300 0.30166000 0.90743900 1.0
Ce Ce30 1 0.56121000 0.70037400 0.12642500 1.0
Ce Ce31 1 0.68879000 0.31521500 0.63916500 1.0
Ce Ce32 1 0.29962600 0.42605000 0.86083500 1.0
Ce Ce33 1 0.17605000 0.81521500 0.62642500 1.0
Ce Ce34 1 0.19834000 0.54903700 0.09256100 1.0
Ce Ce35 1 0.07395000 0.20037400 0.13916500 1.0
Ce Ce36 1 0.35577900 0.20647600 0.40743900 1.0
Ce Ce37 1 0.79962600 0.93879000 0.87357500 1.0
Ce Ce38 1 0.69834000 0.60577900 0.64930300 1.0
Ce Ce39 1 0.38558500 0.38558500 0.27117000 1.0
S S40 1 0.31110800 0.64559900 0.02100200 1.0
S S41 1 0.89559900 0.06110800 0.52100200 1.0
S S42 1 0.77490100 0.41509700 0.28349500 1.0
S S43 1 0.12500000 0.22810200 0.60310200 1.0
S S44 1 0.76035300 0.60409900 0.10789500 1.0
S S45 1 0.63160300 0.91509700 0.64019600 1.0
S S46 1 0.13160300 0.49140700 0.71650500 1.0
S S47 1 0.74140700 0.88160300 0.21650500 1.0
S S48 1 0.47509900 0.25859300 0.14019600 1.0
S S49 1 0.20989300 0.87540200 0.02100200 1.0
S S50 1 0.62500000 0.02189800 0.89689800 1.0
S S51 1 0.27490100 0.99140700 0.35980400 1.0
S S52 1 0.98964700 0.64590100 0.39210500 1.0
S S53 1 0.97810200 0.87500000 0.60310200 1.0
S S54 1 0.97509900 0.83490300 0.21650500 1.0
S S55 1 0.27189800 0.37500000 0.39689800 1.0
S S56 1 0.99620400 0.10409900 0.84374600 1.0
S S57 1 0.90245800 0.24620400 0.39210500 1.0
S S58 1 0.85440100 0.18889200 0.97899800 1.0
S S59 1 0.16509700 0.38160300 0.14019600 1.0
S S60 1 0.75379600 0.14590100 0.65625400 1.0
S S61 1 0.48964700 0.09754200 0.34374600 1.0
S S62 1 0.25379600 0.59754200 0.60789500 1.0
S S63 1 0.93889200 0.45989300 0.83449100 1.0
S S64 1 0.35409900 0.74620400 0.34374600 1.0
S S65 1 0.62500000 0.52189800 0.39689800 1.0
S S66 1 0.39559900 0.87459800 0.83449100 1.0
S S67 1 0.77189800 0.37500000 0.89689800 1.0
S S68 1 0.85409900 0.51035300 0.60789500 1.0
S S69 1 0.08490300 0.72509900 0.71650500 1.0
S S70 1 0.12540200 0.95989300 0.52100200 1.0
S S71 1 0.24140700 0.02490100 0.85980400 1.0
S S72 1 0.47810200 0.87500000 0.10310200 1.0
S S73 1 0.12500000 0.72810200 0.10310200 1.0
S S74 1 0.12459800 0.14559900 0.33449100 1.0
S S75 1 0.39590100 0.50379600 0.15625400 1.0
S S76 1 0.35440100 0.37540200 0.66550900 1.0
S S77 1 0.89590100 0.73964700 0.89210500 1.0
S S78 1 0.50859300 0.22509900 0.64019600 1.0
S S79 1 0.26035300 0.15245800 0.15625400 1.0
S S80 1 0.11839700 0.33490300 0.85980400 1.0
S S81 1 0.66509700 0.52490100 0.78349500 1.0
S S82 1 0.81110800 0.79010700 0.66550900 1.0
S S83 1 0.04010700 0.56110800 0.16550900 1.0
S S84 1 0.84754200 0.00379600 0.10789500 1.0
S S85 1 0.61839700 0.75859300 0.78349500 1.0
S S86 1 0.00859300 0.36839700 0.28349500 1.0
S S87 1 0.70989300 0.68889200 0.33449100 1.0
S S88 1 0.49620400 0.65245800 0.89210500 1.0
S S89 1 0.40245800 0.01035300 0.65625400 1.0
S S90 1 0.34754200 0.23964700 0.84374600 1.0
S S91 1 0.43889200 0.60440100 0.47899800 1.0
S S92 1 0.62540200 0.10440100 0.16550900 1.0
S S93 1 0.58490300 0.86839700 0.35980400 1.0
S S94 1 0.62459800 0.29010700 0.97899800 1.0
S S95 1 0.54010700 0.37459800 0.47899800 1.0
O O96 1 0.00000000 0.00000000 0.00000000 1.0
O O97 1 0.75000000 0.25000000 0.50000000 1.0
O O98 1 0.50000000 0.50000000 0.00000000 1.0
O O99 1 0.25000000 0.75000000 0.50000000 1.0