Mn10CrN9
传统材料 TRAMP-ID: mp-1246030 · 空间群: P2_1/c (#14)
基础信息
化学式
Mn10CrN9
MP-ID
mp-1246030
元素数
3
位点数
80
密度
6.2974
g/cm³
体积
767.26
ų
晶胞参数 a
6.4529
Å
晶胞参数 b
7.5967
Å
晶胞参数 c
15.8200
Å
α 角
90.00
°
β 角
98.36
°
γ 角
90.00
°
空间群
P2_1/c
点群
2/m
晶体系统
Monoclinic
Bravais 格子
mP
稳定性
No
堆积分数
-
能量属性
形成能/原子
-0.20303
eV/atom
能量/原子
-12.40630
eV/atom
凸包距离
0.1985
eV/atom
未修正能量
-8.9313
eV/atom
体积/原子
9.59
ų
c/a 比
2.4516
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
38.0135
μB
磁有序
FiM
磁性位点数
44
磁化强度/体积
0.049540
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
Mn · 0.500
元素家族
N/A
溶质分数
0.500
间隙分数
0.450
ROM 混合特征雷达
评级与分类
评级 Tier
B
评分
0.648
家族
Interstitial Alloy
基质元素
Mn · 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-1246030
参考引用
The crystal structure and related material properties of Mn10CrN9 were obtained from the Materials Project database (MP-ID: mp-1246030, 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_Mn10CrN9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.45291352
_cell_length_b 7.59674200
_cell_length_c 15.81997849
_cell_angle_alpha 90.00000000
_cell_angle_beta 98.36449310
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn10CrN9
_chemical_formula_sum 'Mn40 Cr4 N36'
_cell_volume 767.26366473
_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 0.45102400 0.85128900 0.10092800 1.0
Mn Mn1 1 0.54897600 0.35128900 0.39907200 1.0
Mn Mn2 1 0.54897600 0.14871100 0.89907200 1.0
Mn Mn3 1 0.45102400 0.64871100 0.60092800 1.0
Mn Mn4 1 0.54508600 0.12152700 0.57473200 1.0
Mn Mn5 1 0.45491400 0.62152700 0.92526800 1.0
Mn Mn6 1 0.45491400 0.87847300 0.42526800 1.0
Mn Mn7 1 0.54508600 0.37847300 0.07473200 1.0
Mn Mn8 1 0.80207900 0.81547400 0.71743900 1.0
Mn Mn9 1 0.19792100 0.31547400 0.78256100 1.0
Mn Mn10 1 0.19792100 0.18452600 0.28256100 1.0
Mn Mn11 1 0.80207900 0.68452600 0.21743900 1.0
Mn Mn12 1 0.75020100 0.32628800 0.71912300 1.0
Mn Mn13 1 0.24979900 0.82628800 0.78087700 1.0
Mn Mn14 1 0.24979900 0.67371200 0.28087700 1.0
Mn Mn15 1 0.75020100 0.17371200 0.21912300 1.0
Mn Mn16 1 0.72796800 0.42778700 0.86818500 1.0
Mn Mn17 1 0.27203200 0.92778700 0.63181500 1.0
Mn Mn18 1 0.27203200 0.57221300 0.13181500 1.0
Mn Mn19 1 0.72796800 0.07221300 0.36818500 1.0
Mn Mn20 1 0.93097400 0.13935800 0.86322700 1.0
Mn Mn21 1 0.06902600 0.63935800 0.63677300 1.0
Mn Mn22 1 0.06902600 0.86064200 0.13677300 1.0
Mn Mn23 1 0.93097400 0.36064200 0.36322700 1.0
Mn Mn24 1 0.97914000 0.12669500 0.63857900 1.0
Mn Mn25 1 0.02086000 0.62669500 0.86142100 1.0
Mn Mn26 1 0.02086000 0.87330500 0.36142100 1.0
Mn Mn27 1 0.97914000 0.37330500 0.13857900 1.0
Mn Mn28 1 0.23977300 0.37849200 0.59751800 1.0
Mn Mn29 1 0.76022700 0.87849200 0.90248200 1.0
Mn Mn30 1 0.76022700 0.62150800 0.40248200 1.0
Mn Mn31 1 0.23977300 0.12150800 0.09751800 1.0
Mn Mn32 1 0.52764200 0.04166600 0.75669900 1.0
Mn Mn33 1 0.47235800 0.54166600 0.74330100 1.0
Mn Mn34 1 0.47235800 0.95833400 0.24330100 1.0
Mn Mn35 1 0.52764200 0.45833400 0.25669900 1.0
Mn Mn36 1 0.75492200 0.79493900 0.54437200 1.0
Mn Mn37 1 0.24507800 0.29493900 0.95562800 1.0
Mn Mn38 1 0.24507800 0.20506100 0.45562800 1.0
Mn Mn39 1 0.75492200 0.70506100 0.04437200 1.0
Cr Cr40 1 0.77087800 0.45266400 0.56906900 1.0
Cr Cr41 1 0.22912200 0.95266400 0.93093100 1.0
Cr Cr42 1 0.22912200 0.54733600 0.43093100 1.0
Cr Cr43 1 0.77087800 0.04733600 0.06906900 1.0
N N44 1 0.53806400 0.40504400 0.62405500 1.0
N N45 1 0.46193600 0.90504400 0.87594500 1.0
N N46 1 0.46193600 0.59495600 0.37594500 1.0
N N47 1 0.53806400 0.09495600 0.12405500 1.0
N N48 1 0.51965900 0.28857700 0.79601800 1.0
N N49 1 0.48034100 0.78857700 0.70398200 1.0
N N50 1 0.48034100 0.71142300 0.20398200 1.0
N N51 1 0.51965900 0.21142300 0.29601800 1.0
N N52 1 0.81250300 0.09557600 0.96003800 1.0
N N53 1 0.18749700 0.59557600 0.53996200 1.0
N N54 1 0.18749700 0.90442400 0.03996200 1.0
N N55 1 0.81250300 0.40442400 0.46003800 1.0
N N56 1 0.47934700 0.86939500 0.54807000 1.0
N N57 1 0.52065300 0.36939500 0.95193000 1.0
N N58 1 0.52065300 0.13060500 0.45193000 1.0
N N59 1 0.47934700 0.63060500 0.04807000 1.0
N N60 1 0.72584000 0.07760600 0.68336200 1.0
N N61 1 0.27416000 0.57760600 0.81663800 1.0
N N62 1 0.27416000 0.92239400 0.31663800 1.0
N N63 1 0.72584000 0.42239400 0.18336300 1.0
N N64 1 0.99394400 0.39786600 0.65949900 1.0
N N65 1 0.00605600 0.89786600 0.84050100 1.0
N N66 1 0.00605600 0.60213400 0.34050100 1.0
N N67 1 0.99394400 0.10213400 0.15949900 1.0
N N68 1 0.02213700 0.36861500 0.87946600 1.0
N N69 1 0.97786300 0.86861500 0.62053400 1.0
N N70 1 0.97786300 0.63138500 0.12053400 1.0
N N71 1 0.02213700 0.13138500 0.37946600 1.0
N N72 1 0.22312500 0.14068000 0.56750000 1.0
N N73 1 0.77687500 0.64068000 0.93250000 1.0
N N74 1 0.77687500 0.85932000 0.43250000 1.0
N N75 1 0.22312500 0.35932000 0.06750000 1.0
N N76 1 0.22641500 0.06086800 0.73158300 1.0
N N77 1 0.77358500 0.56086800 0.76841700 1.0
N N78 1 0.77358500 0.93913200 0.26841700 1.0
N N79 1 0.22641500 0.43913200 0.23158300 1.0