Mn7(PbO5)3

传统材料 TRA

MP-ID: mp-649813 · 空间群: Cmcm (#63)

Materials Project API

基础信息

化学式

Mn7(PbO5)3

MP-ID

mp-649813

元素数

位点数

100

密度

6.5861

g/cm³

体积

1,256.76

Å³

晶胞参数 a

10.2794

晶胞参数 b

10.2794

晶胞参数 c

13.8332

α 角

90.00

β 角

90.00

γ 角

120.71

空间群

Cmcm

点群

mmm

晶体系统

Orthorhombic

Bravais 格子

稳定性

堆积分数

能量属性

形成能/原子

-1.82326

eV/atom

能量/原子

-7.80292

eV/atom

凸包距离

0.0116

eV/atom

未修正能量

-6.9237

eV/atom

体积/原子

12.57

Å³

c/a 比

1.3457

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

100.0066

μB

磁有序

磁性位点数

磁化强度/体积

0.079570

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 · 0.600

元素家族

N/A

溶质分数

0.400

间隙分数

0.000

ROM 混合特征雷达

评级与分类

评级 Tier

评分

0.577

家族

O-rich Multi-Component

基质元素

O · 0.600

关联任务

关联的计算任务 ID（1 个）

aaacaems

引用参考

Materials Project 官方页面

https://materialsproject.org/materials/mp-649813

参考引用

The crystal structure and related material properties of Mn7(PbO5)3 were obtained from the Materials Project database (MP-ID: mp-649813, 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_Mn7(PbO5)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.27942861
_cell_length_b   10.27942861
_cell_length_c   13.83318200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.70681137
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn7(PbO5)3
_chemical_formula_sum   'Mn28 Pb12 O60'
_cell_volume   1256.76252959
_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
  Mn  Mn0  1  0.33482300  0.16907100  0.49990400  1.0
  Mn  Mn1  1  0.33482300  0.16907100  0.00009600  1.0
  Mn  Mn2  1  0.66342800  0.33069000  0.35331700  1.0
  Mn  Mn3  1  0.16620300  0.83379700  0.50000000  1.0
  Mn  Mn4  1  0.33657200  0.66931000  0.64668300  1.0
  Mn  Mn5  1  0.66517700  0.83092900  0.50009600  1.0
  Mn  Mn6  1  0.00000000  0.50000000  0.50000000  1.0
  Mn  Mn7  1  0.66342800  0.33069000  0.14668300  1.0
  Mn  Mn8  1  0.66517700  0.83092900  0.99990400  1.0
  Mn  Mn9  1  0.83379700  0.16620300  0.00000000  1.0
  Mn  Mn10  1  0.50000000  0.50000000  0.50000000  1.0
  Mn  Mn11  1  0.50000000  0.50000000  0.00000000  1.0
  Mn  Mn12  1  0.83092900  0.66517700  0.50009600  1.0
  Mn  Mn13  1  0.50000000  0.00000000  0.50000000  1.0
  Mn  Mn14  1  0.33657200  0.66931000  0.85331700  1.0
  Mn  Mn15  1  0.33069000  0.66342800  0.35331700  1.0
  Mn  Mn16  1  0.50000000  0.00000000  0.00000000  1.0
  Mn  Mn17  1  0.00000000  0.00000000  0.00000000  1.0
  Mn  Mn18  1  0.66931000  0.33657200  0.64668300  1.0
  Mn  Mn19  1  0.33069000  0.66342800  0.14668300  1.0
  Mn  Mn20  1  0.16907100  0.33482300  0.49990400  1.0
  Mn  Mn21  1  0.00000000  0.50000000  0.00000000  1.0
  Mn  Mn22  1  0.83092900  0.66517700  0.99990400  1.0
  Mn  Mn23  1  0.66931000  0.33657200  0.85331700  1.0
  Mn  Mn24  1  0.16620300  0.83379700  0.00000000  1.0
  Mn  Mn25  1  0.16907100  0.33482300  0.00009600  1.0
  Mn  Mn26  1  0.83379700  0.16620300  0.50000000  1.0
  Mn  Mn27  1  0.00000000  0.00000000  0.50000000  1.0
  Pb  Pb28  1  0.00322800  0.27171300  0.75000000  1.0
  Pb  Pb29  1  0.26333400  0.26333400  0.25000000  1.0
  Pb  Pb30  1  0.38721700  0.99730500  0.25000000  1.0
  Pb  Pb31  1  0.39506900  0.39506900  0.75000000  1.0
  Pb  Pb32  1  0.73666600  0.73666600  0.75000000  1.0
  Pb  Pb33  1  0.27171300  0.00322800  0.75000000  1.0
  Pb  Pb34  1  0.99677200  0.72828700  0.25000000  1.0
  Pb  Pb35  1  0.00269500  0.61278300  0.75000000  1.0
  Pb  Pb36  1  0.72828700  0.99677200  0.25000000  1.0
  Pb  Pb37  1  0.61278300  0.00269500  0.75000000  1.0
  Pb  Pb38  1  0.99730500  0.38721700  0.25000000  1.0
  Pb  Pb39  1  0.60493100  0.60493100  0.25000000  1.0
  O  O40  1  0.48683400  0.33176600  0.92279000  1.0
  O  O41  1  0.83654400  0.99992800  0.57166600  1.0
  O  O42  1  0.16280700  0.64511500  0.25000000  1.0
  O  O43  1  0.35488500  0.83719300  0.75000000  1.0
  O  O44  1  0.67349200  0.99684100  0.07412600  1.0
  O  O45  1  0.66823400  0.51316600  0.42279000  1.0
  O  O46  1  0.81916100  0.46967100  0.25000000  1.0
  O  O47  1  0.51316600  0.66823400  0.42279000  1.0
  O  O48  1  0.16345600  0.00007200  0.42833400  1.0
  O  O49  1  0.46967100  0.81916100  0.25000000  1.0
  O  O50  1  0.32650800  0.00315900  0.92587400  1.0
  O  O51  1  0.51316600  0.66823400  0.07721000  1.0
  O  O52  1  0.32728500  0.32728500  0.07448700  1.0
  O  O53  1  0.00007200  0.16345600  0.42833400  1.0
  O  O54  1  0.64511500  0.16280700  0.25000000  1.0
  O  O55  1  0.32650800  0.00315900  0.57412600  1.0
  O  O56  1  0.51127500  0.83742400  0.92219400  1.0
  O  O57  1  0.00007200  0.16345600  0.07166600  1.0
  O  O58  1  0.53032900  0.18083900  0.75000000  1.0
  O  O59  1  0.48683400  0.33176600  0.57721000  1.0
  O  O60  1  0.16345600  0.00007200  0.07166600  1.0
  O  O61  1  0.65470700  0.48471700  0.75000000  1.0
  O  O62  1  0.00315900  0.32650800  0.92587400  1.0
  O  O63  1  0.99992800  0.83654400  0.57166600  1.0
  O  O64  1  0.83654400  0.99992800  0.92833400  1.0
  O  O65  1  0.15461100  0.67059800  0.57702900  1.0
  O  O66  1  0.66823400  0.51316600  0.07721000  1.0
  O  O67  1  0.99992800  0.83654400  0.92833400  1.0
  O  O68  1  0.83742400  0.51127500  0.92219400  1.0
  O  O69  1  0.67059800  0.15461100  0.92297100  1.0
  O  O70  1  0.16416800  0.16416800  0.57151600  1.0
  O  O71  1  0.16257600  0.48872500  0.42219400  1.0
  O  O72  1  0.83742400  0.51127500  0.57780600  1.0
  O  O73  1  0.33176600  0.48683400  0.92279000  1.0
  O  O74  1  0.67059800  0.15461100  0.57702900  1.0
  O  O75  1  0.48872500  0.16257600  0.07780600  1.0
  O  O76  1  0.18083900  0.53032900  0.75000000  1.0
  O  O77  1  0.99684100  0.67349200  0.42587400  1.0
  O  O78  1  0.32940200  0.84538900  0.42297100  1.0
  O  O79  1  0.84538900  0.32940200  0.42297100  1.0
  O  O80  1  0.15461100  0.67059800  0.92297100  1.0
  O  O81  1  0.83583200  0.83583200  0.42848400  1.0
  O  O82  1  0.67349200  0.99684100  0.42587400  1.0
  O  O83  1  0.67271500  0.67271500  0.57448700  1.0
  O  O84  1  0.83719300  0.35488500  0.75000000  1.0
  O  O85  1  0.48471700  0.65470700  0.75000000  1.0
  O  O86  1  0.33176600  0.48683400  0.57721000  1.0
  O  O87  1  0.16416800  0.16416800  0.92848400  1.0
  O  O88  1  0.83583200  0.83583200  0.07151600  1.0
  O  O89  1  0.84538900  0.32940200  0.07702900  1.0
  O  O90  1  0.51528400  0.34529300  0.25000000  1.0
  O  O91  1  0.32940200  0.84538900  0.07702900  1.0
  O  O92  1  0.99684100  0.67349200  0.07412600  1.0
  O  O93  1  0.00315900  0.32650800  0.57412600  1.0
  O  O94  1  0.48872500  0.16257600  0.42219400  1.0
  O  O95  1  0.34529300  0.51528400  0.25000000  1.0
  O  O96  1  0.16257600  0.48872500  0.07780600  1.0
  O  O97  1  0.32728500  0.32728500  0.42551300  1.0
  O  O98  1  0.51127500  0.83742400  0.57780600  1.0
  O  O99  1  0.67271500  0.67271500  0.92551300  1.0

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