Mn9(Si2O9)2
传统材料 TRAMP-ID: mp-737304 · 空间群: Pna2_1 (#33)
基础信息
化学式
Mn9(Si2O9)2
MP-ID
mp-737304
元素数
3
位点数
124
密度
4.0908
g/cm³
体积
1,452.83
ų
晶胞参数 a
4.8955
Å
晶胞参数 b
10.5210
Å
晶胞参数 c
28.2069
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pna2_1
点群
mm2
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
-2.49291
eV/atom
能量/原子
-8.72590
eV/atom
凸包距离
0.0464
eV/atom
未修正能量
-7.8427
eV/atom
体积/原子
11.72
ų
c/a 比
5.7617
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
172.0000
μB
磁有序
FM
磁性位点数
36
磁化强度/体积
0.118390
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 · 0.581
元素家族
N/A
溶质分数
0.419
间隙分数
0.129
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.540
家族
Interstitial Alloy
基质元素
O · 0.581
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-737304
参考引用
The crystal structure and related material properties of Mn9(Si2O9)2 were obtained from the Materials Project database (MP-ID: mp-737304, 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_Mn9(Si2O9)2
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 4.89553800
_cell_length_b 10.52103800
_cell_length_c 28.20684600
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn9(Si2O9)2
_chemical_formula_sum 'Mn36 Si16 O72'
_cell_volume 1452.82579651
_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 0.50034000 0.87478500 0.24932200 1.0
Mn Mn1 1 0.49966000 0.12521500 0.74932200 1.0
Mn Mn2 1 0.00034000 0.62521500 0.74932200 1.0
Mn Mn3 1 0.99966000 0.37478500 0.24932200 1.0
Mn Mn4 1 0.49560300 0.87983600 0.13518700 1.0
Mn Mn5 1 0.50439700 0.12016400 0.63518700 1.0
Mn Mn6 1 0.99560300 0.62016400 0.63518700 1.0
Mn Mn7 1 0.00439700 0.37983600 0.13518700 1.0
Mn Mn8 1 0.52186400 0.87155400 0.36571600 1.0
Mn Mn9 1 0.47813600 0.12844600 0.86571600 1.0
Mn Mn10 1 0.02186400 0.62844600 0.86571600 1.0
Mn Mn11 1 0.97813600 0.37155400 0.36571600 1.0
Mn Mn12 1 0.46654200 0.59243100 0.07575700 1.0
Mn Mn13 1 0.53345800 0.40756900 0.57575700 1.0
Mn Mn14 1 0.96654200 0.90756900 0.57575700 1.0
Mn Mn15 1 0.03345800 0.09243100 0.07575700 1.0
Mn Mn16 1 0.54312200 0.15648600 0.41681000 1.0
Mn Mn17 1 0.45687800 0.84351400 0.91681000 1.0
Mn Mn18 1 0.04312200 0.34351400 0.91681000 1.0
Mn Mn19 1 0.95687800 0.65648600 0.41681000 1.0
Mn Mn20 1 0.51610700 0.15738600 0.19222600 1.0
Mn Mn21 1 0.48389300 0.84261400 0.69222600 1.0
Mn Mn22 1 0.01610700 0.34261400 0.69222600 1.0
Mn Mn23 1 0.98389300 0.65738600 0.19222600 1.0
Mn Mn24 1 0.47431600 0.59067100 0.30748400 1.0
Mn Mn25 1 0.52568400 0.40932900 0.80748400 1.0
Mn Mn26 1 0.97431600 0.90932900 0.80748400 1.0
Mn Mn27 1 0.02568400 0.09067100 0.30748400 1.0
Mn Mn28 1 0.47788000 0.87034300 0.02144600 1.0
Mn Mn29 1 0.52212000 0.12965700 0.52144600 1.0
Mn Mn30 1 0.97788000 0.62965700 0.52144600 1.0
Mn Mn31 1 0.02212000 0.37034300 0.02144600 1.0
Mn Mn32 1 0.52373200 0.86519800 0.47951000 1.0
Mn Mn33 1 0.47626800 0.13480200 0.97951000 1.0
Mn Mn34 1 0.02373200 0.63480200 0.97951000 1.0
Mn Mn35 1 0.97626800 0.36519800 0.47951000 1.0
Si Si36 1 0.42771600 0.47318200 0.19277100 1.0
Si Si37 1 0.57228400 0.52681800 0.69277100 1.0
Si Si38 1 0.92771600 0.02681800 0.69277100 1.0
Si Si39 1 0.07228400 0.97318200 0.19277100 1.0
Si Si40 1 0.56875900 0.27671300 0.30445500 1.0
Si Si41 1 0.43124100 0.72328700 0.80445500 1.0
Si Si42 1 0.06875900 0.22328700 0.80445500 1.0
Si Si43 1 0.93124100 0.77671300 0.30445500 1.0
Si Si44 1 0.39380200 0.46532800 0.42191100 1.0
Si Si45 1 0.60619800 0.53467200 0.92191100 1.0
Si Si46 1 0.89380200 0.03467200 0.92191100 1.0
Si Si47 1 0.10619800 0.96532800 0.42191100 1.0
Si Si48 1 0.58378200 0.28131600 0.08125200 1.0
Si Si49 1 0.41621800 0.71868400 0.58125200 1.0
Si Si50 1 0.08378200 0.21868400 0.58125200 1.0
Si Si51 1 0.91621800 0.78131600 0.08125200 1.0
O O52 1 0.76233000 0.47094000 0.19283400 1.0
O O53 1 0.23767000 0.52906000 0.69283400 1.0
O O54 1 0.26233000 0.02906000 0.69283400 1.0
O O55 1 0.73767000 0.97094000 0.19283400 1.0
O O56 1 0.23430000 0.27721200 0.30619000 1.0
O O57 1 0.76570000 0.72278800 0.80619000 1.0
O O58 1 0.73430000 0.22278800 0.80619000 1.0
O O59 1 0.26570000 0.77721200 0.30619000 1.0
O O60 1 0.28488300 0.32782600 0.19297000 1.0
O O61 1 0.71511700 0.67217400 0.69297000 1.0
O O62 1 0.78488300 0.17217400 0.69297000 1.0
O O63 1 0.21511700 0.82782600 0.19297000 1.0
O O64 1 0.70734000 0.42235900 0.30525300 1.0
O O65 1 0.29266000 0.57764100 0.80525300 1.0
O O66 1 0.20734000 0.07764100 0.80525300 1.0
O O67 1 0.79266000 0.92235900 0.30525300 1.0
O O68 1 0.28679500 0.54024200 0.14553300 1.0
O O69 1 0.71320500 0.45975800 0.64553300 1.0
O O70 1 0.78679500 0.95975800 0.64553300 1.0
O O71 1 0.21320500 0.04024200 0.14553300 1.0
O O72 1 0.71316000 0.20764800 0.35109800 1.0
O O73 1 0.28684000 0.79235200 0.85109800 1.0
O O74 1 0.21316000 0.29235200 0.85109800 1.0
O O75 1 0.78684000 0.70764800 0.35109800 1.0
O O76 1 0.28705500 0.54031100 0.24003900 1.0
O O77 1 0.71294500 0.45968900 0.74003900 1.0
O O78 1 0.78705500 0.95968900 0.74003900 1.0
O O79 1 0.21294500 0.04031100 0.24003900 1.0
O O80 1 0.71005500 0.21064100 0.25734700 1.0
O O81 1 0.28994500 0.78935900 0.75734700 1.0
O O82 1 0.21005500 0.28935900 0.75734700 1.0
O O83 1 0.78994500 0.71064100 0.25734700 1.0
O O84 1 0.24895100 0.27885200 0.08125200 1.0
O O85 1 0.75104900 0.72114800 0.58125200 1.0
O O86 1 0.74895100 0.22114800 0.58125200 1.0
O O87 1 0.25104900 0.77885200 0.08125200 1.0
O O88 1 0.72603700 0.46650900 0.41922900 1.0
O O89 1 0.27396300 0.53349100 0.91922900 1.0
O O90 1 0.22603700 0.03349100 0.91922900 1.0
O O91 1 0.77396300 0.96650900 0.41922900 1.0
O O92 1 0.71499400 0.42837000 0.07901300 1.0
O O93 1 0.28500600 0.57163000 0.57901300 1.0
O O94 1 0.21499400 0.07163000 0.57901300 1.0
O O95 1 0.78500600 0.92837000 0.07901300 1.0
O O96 1 0.24988700 0.31879500 0.42378100 1.0
O O97 1 0.75011300 0.68120500 0.92378100 1.0
O O98 1 0.74988700 0.18120500 0.92378100 1.0
O O99 1 0.25011300 0.81879500 0.42378100 1.0
O O100 1 0.71844900 0.21970600 0.12991000 1.0
O O101 1 0.28155100 0.78029400 0.62991000 1.0
O O102 1 0.21844900 0.28029400 0.62991000 1.0
O O103 1 0.78155100 0.71970600 0.12991000 1.0
O O104 1 0.26526500 0.52932100 0.37239200 1.0
O O105 1 0.73473500 0.47067900 0.87239200 1.0
O O106 1 0.76526500 0.97067900 0.87239200 1.0
O O107 1 0.23473500 0.02932100 0.37239200 1.0
O O108 1 0.74693700 0.21368400 0.03595800 1.0
O O109 1 0.25306300 0.78631600 0.53595800 1.0
O O110 1 0.24693700 0.28631600 0.53595800 1.0
O O111 1 0.75306300 0.71368400 0.03595800 1.0
O O112 1 0.22029500 0.52871200 0.46669200 1.0
O O113 1 0.77970500 0.47128800 0.96669200 1.0
O O114 1 0.72029500 0.97128800 0.96669200 1.0
O O115 1 0.27970500 0.02871200 0.46669200 1.0
O O116 1 0.79394600 0.46293400 0.52528200 1.0
O O117 1 0.20605400 0.53706600 0.02528200 1.0
O O118 1 0.29394600 0.03706600 0.02528200 1.0
O O119 1 0.70605400 0.96293400 0.52528200 1.0
O O120 1 0.74997900 0.72256600 0.47468100 1.0
O O121 1 0.25002100 0.27743400 0.97468100 1.0
O O122 1 0.24997900 0.77743400 0.97468100 1.0
O O123 1 0.75002100 0.22256600 0.47468100 1.0