Sr2Fe2O5
传统材料 TRAMP-ID: mp-1205087 · 空间群: Pbcm (#57)
基础信息
化学式
Sr2Fe2O5
MP-ID
mp-1205087
元素数
3
位点数
72
密度
5.0521
g/cm³
体积
964.81
ų
晶胞参数 a
5.4109
Å
晶胞参数 b
11.1223
Å
晶胞参数 c
16.0317
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pbcm
点群
mmm
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
-2.37162
eV/atom
能量/原子
-7.37881
eV/atom
凸包距离
0.0005
eV/atom
未修正能量
-6.4958
eV/atom
体积/原子
13.40
ų
c/a 比
2.9628
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
75.2806
μB
磁有序
Unknown
磁性位点数
0
磁化强度/体积
0.078030
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
O · 0.556
元素家族
N/A
溶质分数
0.444
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.463
家族
O-rich Multi-Component
基质元素
O · 0.556
关联任务
引用参考
Materials Project 官方页面
https://materialsproject.org/materials/mp-1205087
参考引用
The crystal structure and related material properties of Sr2Fe2O5 were obtained from the Materials Project database (MP-ID: mp-1205087, 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_Sr2Fe2O5
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 5.41092176
_cell_length_b 11.12229713
_cell_length_c 16.03165169
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr2Fe2O5
_chemical_formula_sum 'Sr16 Fe16 O40'
_cell_volume 964.81493119
_cell_formula_units_Z 8
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
Sr Sr0 1 0.99551611 0.25693979 0.61007211 1.0
Sr Sr1 1 0.00448389 0.74306021 0.11007211 1.0
Sr Sr2 1 0.99551611 0.24306021 0.38992789 1.0
Sr Sr3 1 0.00448389 0.75693979 0.88992789 1.0
Sr Sr4 1 0.00448389 0.74306021 0.38992789 1.0
Sr Sr5 1 0.99551611 0.25693979 0.88992789 1.0
Sr Sr6 1 0.00448389 0.75693979 0.61007211 1.0
Sr Sr7 1 0.99551611 0.24306021 0.11007211 1.0
Sr Sr8 1 0.50505755 0.00685211 0.11007462 1.0
Sr Sr9 1 0.49494245 0.99314789 0.61007462 1.0
Sr Sr10 1 0.50505755 0.49314789 0.88992538 1.0
Sr Sr11 1 0.49494245 0.50685211 0.38992538 1.0
Sr Sr12 1 0.49494245 0.99314789 0.88992538 1.0
Sr Sr13 1 0.50505755 0.00685211 0.38992538 1.0
Sr Sr14 1 0.49494245 0.50685211 0.11007462 1.0
Sr Sr15 1 0.50505755 0.49314789 0.61007462 1.0
Fe Fe16 1 -0.00000000 0.50000000 0.50000000 1.0
Fe Fe17 1 -0.00000000 0.50000000 0.00000000 1.0
Fe Fe18 1 -0.00000000 -0.00000000 0.50000000 1.0
Fe Fe19 1 -0.00000000 -0.00000000 0.00000000 1.0
Fe Fe20 1 0.49973718 0.25000000 0.00000000 1.0
Fe Fe21 1 0.50026282 0.75000000 0.50000000 1.0
Fe Fe22 1 0.50026282 0.75000000 0.00000000 1.0
Fe Fe23 1 0.49973718 0.25000000 0.50000000 1.0
Fe Fe24 1 0.04356595 0.53349215 0.75000000 1.0
Fe Fe25 1 0.95643405 0.46650785 0.25000000 1.0
Fe Fe26 1 0.04356595 0.96650785 0.25000000 1.0
Fe Fe27 1 0.95643405 0.03349215 0.75000000 1.0
Fe Fe28 1 0.54381860 0.78343967 0.25000000 1.0
Fe Fe29 1 0.45618140 0.21656033 0.75000000 1.0
Fe Fe30 1 0.54381860 0.71656033 0.75000000 1.0
Fe Fe31 1 0.45618140 0.28343967 0.25000000 1.0
O O32 1 0.25030301 0.62439149 0.50667892 1.0
O O33 1 0.74969699 0.37560851 0.00667892 1.0
O O34 1 0.25030301 0.87560851 0.49332108 1.0
O O35 1 0.74969699 0.12439149 0.99332108 1.0
O O36 1 0.74969699 0.37560851 0.49332108 1.0
O O37 1 0.25030301 0.62439149 0.99332108 1.0
O O38 1 0.74969699 0.12439149 0.50667892 1.0
O O39 1 0.25030301 0.87560851 0.00667892 1.0
O O40 1 0.24955849 0.12553254 0.99581867 1.0
O O41 1 0.75044151 0.87446746 0.49581867 1.0
O O42 1 0.24955849 0.37446746 0.00418133 1.0
O O43 1 0.75044151 0.62553254 0.50418133 1.0
O O44 1 0.75044151 0.87446746 0.00418133 1.0
O O45 1 0.24955849 0.12553254 0.50418133 1.0
O O46 1 0.75044151 0.62553254 0.99581867 1.0
O O47 1 0.24955849 0.37446746 0.49581867 1.0
O O48 1 0.98804819 0.48014336 0.64118892 1.0
O O49 1 0.01195181 0.51985664 0.14118892 1.0
O O50 1 0.98804819 0.01985664 0.35881108 1.0
O O51 1 0.01195181 0.98014336 0.85881108 1.0
O O52 1 0.01195181 0.51985664 0.35881108 1.0
O O53 1 0.98804819 0.48014336 0.85881108 1.0
O O54 1 0.01195181 0.98014336 0.64118892 1.0
O O55 1 0.98804819 0.01985664 0.14118892 1.0
O O56 1 0.50994030 0.23016838 0.14108946 1.0
O O57 1 0.49005970 0.76983162 0.64108946 1.0
O O58 1 0.50994030 0.26983162 0.85891054 1.0
O O59 1 0.49005970 0.73016838 0.35891054 1.0
O O60 1 0.49005970 0.76983162 0.85891054 1.0
O O61 1 0.50994030 0.23016838 0.35891054 1.0
O O62 1 0.49005970 0.73016838 0.14108946 1.0
O O63 1 0.50994030 0.26983162 0.64108946 1.0
O O64 1 0.89559806 0.81064362 0.25000000 1.0
O O65 1 0.10440194 0.18935638 0.75000000 1.0
O O66 1 0.89559806 0.68935638 0.75000000 1.0
O O67 1 0.10440194 0.31064362 0.25000000 1.0
O O68 1 0.39511163 0.93925345 0.25000000 1.0
O O69 1 0.60488837 0.06074655 0.75000000 1.0
O O70 1 0.39511163 0.56074655 0.75000000 1.0
O O71 1 0.60488837 0.43925345 0.25000000 1.0