Sr5(RhO3)4
传统材料 TRAMP-ID: mp-1210337 · 空间群: P-3c1 (#165)
基础信息
化学式
Sr5(RhO3)4
MP-ID
mp-1210337
元素数
3
位点数
126
密度
5.8510
g/cm³
体积
1,773.85
ų
晶胞参数 a
9.6894
Å
晶胞参数 b
9.6894
Å
晶胞参数 c
21.8170
Å
α 角
90.00
°
β 角
90.00
°
γ 角
120.00
°
空间群
P-3c1
点群
-3m
晶体系统
Trigonal
Bravais 格子
hP
稳定性
No
堆积分数
0.7405
能量属性
形成能/原子
-2.17019
eV/atom
能量/原子
-6.80328
eV/atom
凸包距离
0.0054
eV/atom
未修正能量
-6.4107
eV/atom
体积/原子
14.08
ų
c/a 比
2.2516
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
12.2237
μB
磁有序
FM
磁性位点数
24
磁化强度/体积
0.006890
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 · 0.571
元素家族
N/A
溶质分数
0.429
间隙分数
0.000
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.507
家族
O-rich Multi-Component
基质元素
O · 0.571
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-1210337
参考引用
The crystal structure and related material properties of Sr5(RhO3)4 were obtained from the Materials Project database (MP-ID: mp-1210337, 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_Sr5(RhO3)4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 9.68936368
_cell_length_b 9.68936368
_cell_length_c 21.81697800
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 119.99999781
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr5(RhO3)4
_chemical_formula_sum 'Sr30 Rh24 O72'
_cell_volume 1773.84532976
_cell_formula_units_Z 6
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 0.33848400 0.32300500 0.65222700 1.0
Sr Sr1 1 0.66151600 0.67699500 0.34777300 1.0
Sr Sr2 1 0.67699500 0.01547900 0.65222700 1.0
Sr Sr3 1 0.32300500 0.33848400 0.84777300 1.0
Sr Sr4 1 0.32300500 0.98452100 0.34777300 1.0
Sr Sr5 1 0.67699500 0.66151600 0.15222700 1.0
Sr Sr6 1 0.98452100 0.66151600 0.65222700 1.0
Sr Sr7 1 0.01547900 0.67699500 0.84777300 1.0
Sr Sr8 1 0.01547900 0.33848400 0.34777300 1.0
Sr Sr9 1 0.98452100 0.32300500 0.15222700 1.0
Sr Sr10 1 0.66151600 0.98452100 0.84777300 1.0
Sr Sr11 1 0.33848400 0.01547900 0.15222700 1.0
Sr Sr12 1 0.33436200 0.01992900 0.54777600 1.0
Sr Sr13 1 0.66563800 0.98007100 0.45222400 1.0
Sr Sr14 1 0.98007100 0.31443300 0.54777600 1.0
Sr Sr15 1 0.01992900 0.33436200 0.95222400 1.0
Sr Sr16 1 0.01992900 0.68556700 0.45222400 1.0
Sr Sr17 1 0.98007100 0.66563800 0.04777600 1.0
Sr Sr18 1 0.68556700 0.66563800 0.54777600 1.0
Sr Sr19 1 0.31443300 0.98007100 0.95222400 1.0
Sr Sr20 1 0.31443300 0.33436200 0.45222400 1.0
Sr Sr21 1 0.68556700 0.01992900 0.04777600 1.0
Sr Sr22 1 0.66563800 0.68556700 0.95222400 1.0
Sr Sr23 1 0.33436200 0.31443300 0.04777600 1.0
Sr Sr24 1 0.35709500 0.00000000 0.75000000 1.0
Sr Sr25 1 0.64290500 0.00000000 0.25000000 1.0
Sr Sr26 1 0.00000000 0.35709500 0.75000000 1.0
Sr Sr27 1 0.00000000 0.64290500 0.25000000 1.0
Sr Sr28 1 0.64290500 0.64290500 0.75000000 1.0
Sr Sr29 1 0.35709500 0.35709500 0.25000000 1.0
Rh Rh30 1 0.33333300 0.66666700 0.91274800 1.0
Rh Rh31 1 0.66666700 0.33333300 0.08725200 1.0
Rh Rh32 1 0.66666700 0.33333300 0.58725200 1.0
Rh Rh33 1 0.33333300 0.66666700 0.41274800 1.0
Rh Rh34 1 0.00000000 0.00000000 0.62117700 1.0
Rh Rh35 1 0.00000000 0.00000000 0.37882300 1.0
Rh Rh36 1 0.00000000 0.00000000 0.87882300 1.0
Rh Rh37 1 0.00000000 0.00000000 0.12117700 1.0
Rh Rh38 1 0.33333300 0.66666700 0.79257000 1.0
Rh Rh39 1 0.66666700 0.33333300 0.20743000 1.0
Rh Rh40 1 0.66666700 0.33333300 0.70743000 1.0
Rh Rh41 1 0.33333300 0.66666700 0.29257000 1.0
Rh Rh42 1 0.00000000 0.00000000 0.75000000 1.0
Rh Rh43 1 0.00000000 0.00000000 0.25000000 1.0
Rh Rh44 1 0.33333300 0.66666700 0.54115500 1.0
Rh Rh45 1 0.66666700 0.33333300 0.45884500 1.0
Rh Rh46 1 0.66666700 0.33333300 0.95884500 1.0
Rh Rh47 1 0.33333300 0.66666700 0.04115500 1.0
Rh Rh48 1 0.00000000 0.00000000 0.50000000 1.0
Rh Rh49 1 0.00000000 0.00000000 0.00000000 1.0
Rh Rh50 1 0.33333300 0.66666700 0.66986700 1.0
Rh Rh51 1 0.66666700 0.33333300 0.33013300 1.0
Rh Rh52 1 0.66666700 0.33333300 0.83013300 1.0
Rh Rh53 1 0.33333300 0.66666700 0.16986700 1.0
O O54 1 0.16604800 0.16616300 0.55919200 1.0
O O55 1 0.83395200 0.83383700 0.44080800 1.0
O O56 1 0.83383700 0.99988500 0.55919200 1.0
O O57 1 0.16616300 0.16604800 0.94080800 1.0
O O58 1 0.16616300 0.00011500 0.44080800 1.0
O O59 1 0.83383700 0.83395200 0.05919200 1.0
O O60 1 0.00011500 0.83395200 0.55919200 1.0
O O61 1 0.99988500 0.83383700 0.94080800 1.0
O O62 1 0.99988500 0.16604800 0.44080800 1.0
O O63 1 0.00011500 0.16616300 0.05919200 1.0
O O64 1 0.83395200 0.00011500 0.94080800 1.0
O O65 1 0.16604800 0.99988500 0.05919200 1.0
O O66 1 0.15849900 0.55938500 0.60651800 1.0
O O67 1 0.84150100 0.44061500 0.39348200 1.0
O O68 1 0.44061500 0.59911400 0.60651800 1.0
O O69 1 0.55938500 0.15849900 0.89348200 1.0
O O70 1 0.55938500 0.40088600 0.39348200 1.0
O O71 1 0.44061500 0.84150100 0.10651800 1.0
O O72 1 0.40088600 0.84150100 0.60651800 1.0
O O73 1 0.59911400 0.44061500 0.89348200 1.0
O O74 1 0.59911400 0.15849900 0.39348200 1.0
O O75 1 0.40088600 0.55938500 0.10651800 1.0
O O76 1 0.84150100 0.40088600 0.89348200 1.0
O O77 1 0.15849900 0.59911400 0.10651800 1.0
O O78 1 0.50350300 0.16500800 0.64841600 1.0
O O79 1 0.49649700 0.83499200 0.35158400 1.0
O O80 1 0.83499200 0.33849500 0.64841600 1.0
O O81 1 0.16500800 0.50350300 0.85158400 1.0
O O82 1 0.16500800 0.66150500 0.35158400 1.0
O O83 1 0.83499200 0.49649700 0.14841600 1.0
O O84 1 0.66150500 0.49649700 0.64841600 1.0
O O85 1 0.33849500 0.83499200 0.85158400 1.0
O O86 1 0.33849500 0.50350300 0.35158400 1.0
O O87 1 0.66150500 0.16500800 0.14841600 1.0
O O88 1 0.49649700 0.66150500 0.85158400 1.0
O O89 1 0.50350300 0.33849500 0.14841600 1.0
O O90 1 0.50302100 0.31961000 0.52605500 1.0
O O91 1 0.49697900 0.68039000 0.47394500 1.0
O O92 1 0.68039000 0.18341200 0.52605500 1.0
O O93 1 0.31961000 0.50302100 0.97394500 1.0
O O94 1 0.31961000 0.81658800 0.47394500 1.0
O O95 1 0.68039000 0.49697900 0.02605500 1.0
O O96 1 0.81658800 0.49697900 0.52605500 1.0
O O97 1 0.18341200 0.68039000 0.97394500 1.0
O O98 1 0.18341200 0.50302100 0.47394500 1.0
O O99 1 0.81658800 0.31961000 0.02605500 1.0
O O100 1 0.49697900 0.81658800 0.97394500 1.0
O O101 1 0.50302100 0.18341200 0.02605500 1.0
O O102 1 0.03488400 0.16974600 0.68258600 1.0
O O103 1 0.96511600 0.83025400 0.31741400 1.0
O O104 1 0.83025400 0.86513800 0.68258600 1.0
O O105 1 0.16974600 0.03488400 0.81741400 1.0
O O106 1 0.16974600 0.13486200 0.31741400 1.0
O O107 1 0.83025400 0.96511600 0.18258600 1.0
O O108 1 0.13486200 0.96511600 0.68258600 1.0
O O109 1 0.86513800 0.83025400 0.81741400 1.0
O O110 1 0.86513800 0.03488400 0.31741400 1.0
O O111 1 0.13486200 0.16974600 0.18258600 1.0
O O112 1 0.96511600 0.13486200 0.81741400 1.0
O O113 1 0.03488400 0.86513800 0.18258600 1.0
O O114 1 0.31235500 0.49239200 0.73394100 1.0
O O115 1 0.68764500 0.50760800 0.26605900 1.0
O O116 1 0.50760800 0.81996300 0.73394100 1.0
O O117 1 0.49239200 0.31235500 0.76605900 1.0
O O118 1 0.49239200 0.18003700 0.26605900 1.0
O O119 1 0.50760800 0.68764500 0.23394100 1.0
O O120 1 0.18003700 0.68764500 0.73394100 1.0
O O121 1 0.81996300 0.50760800 0.76605900 1.0
O O122 1 0.81996300 0.31235500 0.26605900 1.0
O O123 1 0.18003700 0.49239200 0.23394100 1.0
O O124 1 0.68764500 0.18003700 0.76605900 1.0
O O125 1 0.31235500 0.81996300 0.23394100 1.0