Sr7MnN6
传统材料 TRAMP-ID: mp-1245614 · 空间群: Pbcn (#60)
基础信息
化学式
Sr7MnN6
MP-ID
mp-1245614
元素数
3
位点数
56
密度
4.5979
g/cm³
体积
1,086.81
ų
晶胞参数 a
11.8435
Å
晶胞参数 b
6.7151
Å
晶胞参数 c
13.6655
Å
α 角
90.00
°
β 角
90.00
°
γ 角
90.00
°
空间群
Pbcn
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
-0.74077
eV/atom
能量/原子
-5.81496
eV/atom
凸包距离
0.0388
eV/atom
未修正能量
-5.6602
eV/atom
体积/原子
19.41
ų
c/a 比
1.1538
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
7.5354
μB
磁有序
FM
磁性位点数
4
磁化强度/体积
0.006930
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
Sr · 0.500
元素家族
N/A
溶质分数
0.500
间隙分数
0.429
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.530
家族
Interstitial Alloy
基质元素
Sr · 0.500
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-1245614
参考引用
The crystal structure and related material properties of Sr7MnN6 were obtained from the Materials Project database (MP-ID: mp-1245614, 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_Sr7MnN6
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 11.84345172
_cell_length_b 6.71505469
_cell_length_c 13.66548096
_cell_angle_alpha 90.00000000
_cell_angle_beta 90.00000000
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Sr7MnN6
_chemical_formula_sum 'Sr28 Mn4 N24'
_cell_volume 1086.80785701
_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 0.03716393 0.73545512 0.97896651 1.0
Sr Sr1 1 0.46283607 0.76454488 0.47896651 1.0
Sr Sr2 1 0.53716393 0.76454488 0.02103349 1.0
Sr Sr3 1 0.96283607 0.73545512 0.52103349 1.0
Sr Sr4 1 0.96283607 0.26454488 0.02103349 1.0
Sr Sr5 1 0.53716393 0.23545512 0.52103349 1.0
Sr Sr6 1 0.46283607 0.23545512 0.97896651 1.0
Sr Sr7 1 0.03716393 0.26454488 0.47896651 1.0
Sr Sr8 1 0.21845715 0.86219181 0.62139855 1.0
Sr Sr9 1 0.28154285 0.63780819 0.12139855 1.0
Sr Sr10 1 0.71845715 0.63780819 0.37860145 1.0
Sr Sr11 1 0.78154285 0.86219181 0.87860145 1.0
Sr Sr12 1 0.78154285 0.13780819 0.37860145 1.0
Sr Sr13 1 0.71845715 0.36219181 0.87860145 1.0
Sr Sr14 1 0.28154285 0.36219181 0.62139855 1.0
Sr Sr15 1 0.21845715 0.13780819 0.12139855 1.0
Sr Sr16 1 0.29156485 0.61453124 0.86978592 1.0
Sr Sr17 1 0.20843515 0.88546876 0.36978592 1.0
Sr Sr18 1 0.79156485 0.88546876 0.13021408 1.0
Sr Sr19 1 0.70843515 0.61453124 0.63021408 1.0
Sr Sr20 1 0.70843515 0.38546876 0.13021408 1.0
Sr Sr21 1 0.79156485 0.11453124 0.63021408 1.0
Sr Sr22 1 0.20843515 0.11453124 0.86978592 1.0
Sr Sr23 1 0.29156485 0.38546876 0.36978592 1.0
Sr Sr24 1 -0.00000000 0.43506224 0.75000000 1.0
Sr Sr25 1 0.50000000 0.06493776 0.25000000 1.0
Sr Sr26 1 -0.00000000 0.56493776 0.25000000 1.0
Sr Sr27 1 0.50000000 0.93506224 0.75000000 1.0
Mn Mn28 1 -0.00000000 0.92744221 0.75000000 1.0
Mn Mn29 1 0.50000000 0.57255779 0.25000000 1.0
Mn Mn30 1 -0.00000000 0.07255779 0.25000000 1.0
Mn Mn31 1 0.50000000 0.42744221 0.75000000 1.0
N N32 1 0.11741806 0.77260096 0.78727929 1.0
N N33 1 0.38258194 0.72739904 0.28727929 1.0
N N34 1 0.61741806 0.72739904 0.21272071 1.0
N N35 1 0.88258194 0.77260096 0.71272071 1.0
N N36 1 0.88258194 0.22739904 0.21272071 1.0
N N37 1 0.61741806 0.27260096 0.71272071 1.0
N N38 1 0.38258194 0.27260096 0.78727929 1.0
N N39 1 0.11741806 0.22739904 0.28727929 1.0
N N40 1 0.16609094 0.59056444 0.49713511 1.0
N N41 1 0.33390906 0.90943556 0.99713511 1.0
N N42 1 0.66609094 0.90943556 0.50286489 1.0
N N43 1 0.83390906 0.59056444 0.00286489 1.0
N N44 1 0.83390906 0.40943556 0.50286489 1.0
N N45 1 0.66609094 0.09056444 0.00286489 1.0
N N46 1 0.33390906 0.09056444 0.49713511 1.0
N N47 1 0.16609094 0.40943556 0.99713511 1.0
N N48 1 0.46062732 0.58359543 0.64668230 1.0
N N49 1 0.03937268 0.91640457 0.14668230 1.0
N N50 1 0.96062732 0.91640457 0.35331770 1.0
N N51 1 0.53937268 0.58359543 0.85331770 1.0
N N52 1 0.53937268 0.41640457 0.35331770 1.0
N N53 1 0.96062732 0.08359543 0.85331770 1.0
N N54 1 0.03937268 0.08359543 0.64668230 1.0
N N55 1 0.46062732 0.41640457 0.14668230 1.0