Sr6(RhO3)5

传统材料 TRA

MP-ID: mp-561047 · 空间群: R32 (#155)

Materials Project API

基础信息

化学式

Sr6(RhO3)5

MP-ID

mp-561047

元素数

位点数

104

密度

5.7884

g/cm³

体积

1,469.06

Å³

晶胞参数 a

12.1173

晶胞参数 b

12.1173

晶胞参数 c

12.1173

α 角

107.31

β 角

107.31

γ 角

107.31

空间群

R32

点群

晶体系统

Trigonal

Bravais 格子

稳定性

Yes

堆积分数

能量属性

形成能/原子

-2.15663

eV/atom

能量/原子

-6.81800

eV/atom

凸包距离

0.0000

eV/atom

未修正能量

-6.4216

eV/atom

体积/原子

14.13

Å³

c/a 比

1.0000

电子属性

金属性

金属

带隙

直接带隙

CBM

N/A

磁性属性

磁性

Yes

总磁矩

2.1829

μB

磁有序

FiM

磁性位点数

磁化强度/体积

0.001490

μB/Å³

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 · 0.577

元素家族

N/A

溶质分数

0.423

间隙分数

0.000

ROM 混合特征雷达

评级与分类

评级 Tier

评分

0.515

家族

O-rich Multi-Component

基质元素

O · 0.577

关联任务

关联的计算任务 ID（1 个）

aaacxxyk

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-561047

参考引用

The crystal structure and related material properties of Sr6(RhO3)5 were obtained from the Materials Project database (MP-ID: mp-561047, 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 | 拖拽旋转 · 滚轮缩放 · 右键平移

原始 CIF 数据

# generated using pymatgen
data_Sr6(RhO3)5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.11729612
_cell_length_b   12.11729612
_cell_length_c   12.11729637
_cell_angle_alpha   107.30858433
_cell_angle_beta   107.30858433
_cell_angle_gamma   107.30858779
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sr6(RhO3)5
_chemical_formula_sum   'Sr24 Rh20 O60'
_cell_volume   1469.05758223
_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
  Sr  Sr0  1  0.00000000  0.65740800  0.34259200  1.0
  Sr  Sr1  1  0.67631000  0.00258400  0.82375300  1.0
  Sr  Sr2  1  0.00000000  0.15818000  0.84182000  1.0
  Sr  Sr3  1  0.82375300  0.67631000  0.00258400  1.0
  Sr  Sr4  1  0.17626200  0.50000000  0.82373800  1.0
  Sr  Sr5  1  0.65850300  0.83511500  0.49855700  1.0
  Sr  Sr6  1  0.50144300  0.16488500  0.34149700  1.0
  Sr  Sr7  1  0.84182000  0.00000000  0.15818000  1.0
  Sr  Sr8  1  0.16488500  0.34149700  0.50144300  1.0
  Sr  Sr9  1  0.82373800  0.17626200  0.50000000  1.0
  Sr  Sr10  1  0.50000000  0.32315800  0.67684200  1.0
  Sr  Sr11  1  0.17624700  0.99741600  0.32369000  1.0
  Sr  Sr12  1  0.32369000  0.17624700  0.99741600  1.0
  Sr  Sr13  1  0.65740800  0.34259200  0.00000000  1.0
  Sr  Sr14  1  0.50000000  0.82373800  0.17626200  1.0
  Sr  Sr15  1  0.83511500  0.49855700  0.65850300  1.0
  Sr  Sr16  1  0.99741600  0.32369000  0.17624700  1.0
  Sr  Sr17  1  0.34149700  0.50144300  0.16488500  1.0
  Sr  Sr18  1  0.49855700  0.65850300  0.83511500  1.0
  Sr  Sr19  1  0.15818000  0.84182000  0.00000000  1.0
  Sr  Sr20  1  0.34259200  0.00000000  0.65740800  1.0
  Sr  Sr21  1  0.32315800  0.67684200  0.50000000  1.0
  Sr  Sr22  1  0.00258400  0.82375300  0.67631000  1.0
  Sr  Sr23  1  0.67684200  0.50000000  0.32315800  1.0
  Rh  Rh24  1  0.40216400  0.40392600  0.90413900  1.0
  Rh  Rh25  1  0.09586100  0.59607400  0.59783600  1.0
  Rh  Rh26  1  0.29253900  0.29253900  0.29253900  1.0
  Rh  Rh27  1  0.70582900  0.20667600  0.20682200  1.0
  Rh  Rh28  1  0.00021000  0.99979000  0.50000000  1.0
  Rh  Rh29  1  0.90413900  0.40216400  0.40392600  1.0
  Rh  Rh30  1  0.20682200  0.70582900  0.20667600  1.0
  Rh  Rh31  1  0.79317800  0.79332400  0.29417100  1.0
  Rh  Rh32  1  0.20667600  0.20682200  0.70582900  1.0
  Rh  Rh33  1  0.29417100  0.79317800  0.79332400  1.0
  Rh  Rh34  1  0.40392600  0.90413900  0.40216400  1.0
  Rh  Rh35  1  0.70746100  0.70746100  0.70746100  1.0
  Rh  Rh36  1  0.99979000  0.50000000  0.00021000  1.0
  Rh  Rh37  1  0.50000000  0.00021000  0.99979000  1.0
  Rh  Rh38  1  0.09638200  0.09638200  0.09638200  1.0
  Rh  Rh39  1  0.59783600  0.09586100  0.59607400  1.0
  Rh  Rh40  1  0.90361800  0.90361800  0.90361800  1.0
  Rh  Rh41  1  0.50000000  0.50000000  0.50000000  1.0
  Rh  Rh42  1  0.59607400  0.59783600  0.09586100  1.0
  Rh  Rh43  1  0.79332400  0.29417100  0.79317800  1.0
  O  O44  1  0.45625800  0.92088900  0.80817000  1.0
  O  O45  1  0.77977300  0.61573700  0.18301800  1.0
  O  O46  1  0.31778600  0.38691000  0.72330100  1.0
  O  O47  1  0.95512300  0.91982500  0.30783400  1.0
  O  O48  1  0.27191200  0.10722900  0.19694000  1.0
  O  O49  1  0.08017500  0.04487700  0.69216600  1.0
  O  O50  1  0.08551400  0.49925600  0.41963000  1.0
  O  O51  1  0.68397000  0.78141300  0.11805300  1.0
  O  O52  1  0.80817000  0.45625800  0.92088900  1.0
  O  O53  1  0.19229800  0.57796900  0.04504500  1.0
  O  O54  1  0.88194700  0.21858700  0.31603000  1.0
  O  O55  1  0.78141300  0.11805300  0.68397000  1.0
  O  O56  1  0.38426300  0.22022700  0.81698200  1.0
  O  O57  1  0.72330100  0.31778600  0.38691000  1.0
  O  O58  1  0.52027200  0.66949000  0.63120000  1.0
  O  O59  1  0.30783400  0.95512300  0.91982500  1.0
  O  O60  1  0.81698200  0.38426300  0.22022700  1.0
  O  O61  1  0.07911100  0.54374200  0.19183000  1.0
  O  O62  1  0.91982500  0.30783400  0.95512300  1.0
  O  O63  1  0.00000000  0.91745900  0.08254100  1.0
  O  O64  1  0.50074400  0.91448600  0.58037000  1.0
  O  O65  1  0.08254100  0.00000000  0.91745900  1.0
  O  O66  1  0.41963000  0.08551400  0.49925600  1.0
  O  O67  1  0.33051000  0.47972800  0.36880000  1.0
  O  O68  1  0.61573700  0.18301800  0.77977300  1.0
  O  O69  1  0.54374200  0.19183000  0.07911100  1.0
  O  O70  1  0.91745900  0.08254100  0.00000000  1.0
  O  O71  1  0.19694000  0.27191200  0.10722900  1.0
  O  O72  1  0.58037000  0.50074400  0.91448600  1.0
  O  O73  1  0.21858700  0.31603000  0.88194700  1.0
  O  O74  1  0.41728200  0.58271800  0.00000000  1.0
  O  O75  1  0.42203100  0.80770200  0.95495500  1.0
  O  O76  1  0.10722900  0.19694000  0.27191200  1.0
  O  O77  1  0.57796900  0.04504500  0.19229800  1.0
  O  O78  1  0.11805300  0.68397000  0.78141300  1.0
  O  O79  1  0.19183000  0.07911100  0.54374200  1.0
  O  O80  1  0.69216600  0.08017500  0.04487700  1.0
  O  O81  1  0.58271800  0.00000000  0.41728200  1.0
  O  O82  1  0.04487700  0.69216600  0.08017500  1.0
  O  O83  1  0.72808800  0.80306000  0.89277100  1.0
  O  O84  1  0.31603000  0.88194700  0.21858700  1.0
  O  O85  1  0.36880000  0.33051000  0.47972800  1.0
  O  O86  1  0.80306000  0.89277100  0.72808800  1.0
  O  O87  1  0.61309000  0.68221400  0.27669900  1.0
  O  O88  1  0.63120000  0.52027200  0.66949000  1.0
  O  O89  1  0.92088900  0.80817000  0.45625800  1.0
  O  O90  1  0.27669900  0.61309000  0.68221400  1.0
  O  O91  1  0.49925600  0.41963000  0.08551400  1.0
  O  O92  1  0.47972800  0.36880000  0.33051000  1.0
  O  O93  1  0.68221400  0.27669900  0.61309000  1.0
  O  O94  1  0.89277100  0.72808800  0.80306000  1.0
  O  O95  1  0.91448600  0.58037000  0.50074400  1.0
  O  O96  1  0.66949000  0.63120000  0.52027200  1.0
  O  O97  1  0.00000000  0.41728200  0.58271800  1.0
  O  O98  1  0.38691000  0.72330100  0.31778600  1.0
  O  O99  1  0.95495500  0.42203100  0.80770200  1.0
  O  O100  1  0.04504500  0.19229900  0.57796900  1.0
  O  O101  1  0.18301800  0.77977300  0.61573700  1.0
  O  O102  1  0.22022700  0.81698200  0.38426300  1.0
  O  O103  1  0.80770100  0.95495500  0.42203100  1.0

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