Mn10FeN9
传统材料 TRAMP-ID: mp-1245332 · 空间群: P2_1/c (#14)
基础信息
化学式
Mn10FeN9
MP-ID
mp-1245332
元素数
3
位点数
80
密度
6.0766
g/cm³
体积
799.35
ų
晶胞参数 a
6.7310
Å
晶胞参数 b
7.1749
Å
晶胞参数 c
16.5648
Å
α 角
90.00
°
β 角
92.30
°
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
-0.25930
eV/atom
能量/原子
-9.01603
eV/atom
凸包距离
0.1830
eV/atom
未修正能量
-8.8536
eV/atom
体积/原子
9.99
ų
c/a 比
2.4610
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
54.0910
μB
磁有序
FiM
磁性位点数
44
磁化强度/体积
0.067670
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
0.650
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-1245332
参考引用
The crystal structure and related material properties of Mn10FeN9 were obtained from the Materials Project database (MP-ID: mp-1245332, 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_Mn10FeN9
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.73101085
_cell_length_b 7.17492833
_cell_length_c 16.56481930
_cell_angle_alpha 90.00000000
_cell_angle_beta 92.29886597
_cell_angle_gamma 90.00000000
_symmetry_Int_Tables_number 1
_chemical_formula_structural Mn10FeN9
_chemical_formula_sum 'Mn40 Fe4 N36'
_cell_volume 799.34616324
_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 0.55657597 0.86272054 0.10472017 1.0
Mn Mn1 1 0.44342403 0.36272054 0.39527983 1.0
Mn Mn2 1 0.44342403 0.13727946 0.89527983 1.0
Mn Mn3 1 0.55657597 0.63727946 0.60472017 1.0
Mn Mn4 1 0.54367915 0.11642985 0.57313804 1.0
Mn Mn5 1 0.45632085 0.61642985 0.92686196 1.0
Mn Mn6 1 0.45632085 0.88357015 0.42686196 1.0
Mn Mn7 1 0.54367915 0.38357015 0.07313804 1.0
Mn Mn8 1 0.79964708 0.78929645 0.72088935 1.0
Mn Mn9 1 0.20035292 0.28929645 0.77911065 1.0
Mn Mn10 1 0.20035292 0.21070355 0.27911065 1.0
Mn Mn11 1 0.79964708 0.71070355 0.22088935 1.0
Mn Mn12 1 0.77095357 0.36280288 0.67638739 1.0
Mn Mn13 1 0.22904643 0.86280288 0.82361261 1.0
Mn Mn14 1 0.22904643 0.63719712 0.32361261 1.0
Mn Mn15 1 0.77095357 0.13719712 0.17638739 1.0
Mn Mn16 1 0.71511254 0.37312906 0.86644305 1.0
Mn Mn17 1 0.28488746 0.87312906 0.63355695 1.0
Mn Mn18 1 0.28488746 0.62687094 0.13355695 1.0
Mn Mn19 1 0.71511254 0.12687094 0.36644305 1.0
Mn Mn20 1 0.96842243 0.09419414 0.87587053 1.0
Mn Mn21 1 0.03157757 0.59419414 0.62412947 1.0
Mn Mn22 1 0.03157757 0.90580586 0.12412947 1.0
Mn Mn23 1 0.96842243 0.40580586 0.37587053 1.0
Mn Mn24 1 0.99775780 0.10449525 0.64314555 1.0
Mn Mn25 1 0.00224220 0.60449525 0.85685445 1.0
Mn Mn26 1 0.00224220 0.89550475 0.35685445 1.0
Mn Mn27 1 0.99775780 0.39550475 0.14314555 1.0
Mn Mn28 1 0.30525637 0.36686046 0.62229526 1.0
Mn Mn29 1 0.69474363 0.86686046 0.87770474 1.0
Mn Mn30 1 0.69474363 0.63313954 0.37770474 1.0
Mn Mn31 1 0.30525637 0.13313954 0.12229526 1.0
Mn Mn32 1 0.51332396 0.04248685 0.74122656 1.0
Mn Mn33 1 0.48667604 0.54248685 0.75877344 1.0
Mn Mn34 1 0.48667604 0.95751315 0.25877344 1.0
Mn Mn35 1 0.51332396 0.45751315 0.24122656 1.0
Mn Mn36 1 0.82976123 0.81261122 0.52326654 1.0
Mn Mn37 1 0.17023877 0.31261122 0.97673346 1.0
Mn Mn38 1 0.17023877 0.18738878 0.47673346 1.0
Mn Mn39 1 0.82976123 0.68738878 0.02326654 1.0
Fe Fe40 1 0.82122859 0.43762633 0.52289822 1.0
Fe Fe41 1 0.17877141 0.93762633 0.97710178 1.0
Fe Fe42 1 0.17877141 0.56237367 0.47710178 1.0
Fe Fe43 1 0.82122859 0.06237367 0.02289822 1.0
N N44 1 0.60004900 0.38283682 0.58411249 1.0
N N45 1 0.39995100 0.88283682 0.91588751 1.0
N N46 1 0.39995100 0.61716318 0.41588751 1.0
N N47 1 0.60004900 0.11716318 0.08411249 1.0
N N48 1 0.47945088 0.27229501 0.80015908 1.0
N N49 1 0.52054912 0.77229501 0.69984092 1.0
N N50 1 0.52054912 0.72770499 0.19984092 1.0
N N51 1 0.47945088 0.22770499 0.30015908 1.0
N N52 1 0.72030383 0.11194629 0.91976206 1.0
N N53 1 0.27969617 0.61194629 0.58023794 1.0
N N54 1 0.27969617 0.88805371 0.08023794 1.0
N N55 1 0.72030383 0.38805371 0.41976206 1.0
N N56 1 0.55880871 0.85954265 0.54398039 1.0
N N57 1 0.44119129 0.35954265 0.95601961 1.0
N N58 1 0.44119129 0.14045735 0.45601961 1.0
N N59 1 0.55880871 0.64045735 0.04398039 1.0
N N60 1 0.72587180 0.10022683 0.67557973 1.0
N N61 1 0.27412820 0.60022683 0.82442027 1.0
N N62 1 0.27412820 0.89977317 0.32442027 1.0
N N63 1 0.72587180 0.39977317 0.17557973 1.0
N N64 1 0.05820569 0.36393446 0.68166986 1.0
N N65 1 0.94179431 0.86393446 0.81833014 1.0
N N66 1 0.94179431 0.63606554 0.31833014 1.0
N N67 1 0.05820569 0.13606554 0.18166986 1.0
N N68 1 0.02314781 0.34095953 0.87347542 1.0
N N69 1 0.97685219 0.84095953 0.62652458 1.0
N N70 1 0.97685219 0.65904047 0.12652458 1.0
N N71 1 0.02314781 0.15904047 0.37347542 1.0
N N72 1 0.25407947 0.12356478 0.58327675 1.0
N N73 1 0.74592053 0.62356478 0.91672325 1.0
N N74 1 0.74592053 0.87643522 0.41672325 1.0
N N75 1 0.25407947 0.37643522 0.08327675 1.0
N N76 1 0.23211864 0.02705775 0.73626303 1.0
N N77 1 0.76788136 0.52705775 0.76373697 1.0
N N78 1 0.76788136 0.97294225 0.26373697 1.0
N N79 1 0.23211864 0.47294225 0.23626303 1.0