MgMn2O4
High-Entropy Materials HEA Traditional Materials TRAMP-ID: mp-1041097 · Space group: Cm (#8)
Basic Information
Formula
MgMn2O4
MP-ID
mp-1041097
Elements
3
Sites
42
Density
4.1534
g/cm³
Volume
475.40
ų
Cell a
6.1866
Å
Cell b
6.1866
Å
Cell c
14.8408
Å
α Angle
86.38
°
β Angle
86.38
°
γ Angle
57.05
°
Space Group
Cm
Point Group
m
Crystal System
Monoclinic
Bravais Lattice
mC
Stability
No
Packing Fraction
-
X-ray Diffraction
Diffraction Pattern
X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å
Diffraction Peaks (Top 24)
| 2θ | d (Å) | I | hkl |
|---|---|---|---|
| 16.35 | 5.4216 | 1.6 | (1,1,-2,0) |
| 17.01 | 5.2133 | 1.7 | (1,1,-2,1) |
| 17.09 | 5.1883 | 6.3 | (1,0,-1,0) |
| 17.82 | 4.9767 | 27.7 | (1,1,-2,-1) |
| 17.92 | 4.9496 | 46.7 | (1,0,-1,1) |
| 17.98 | 4.9341 | 92.5 | (0,0,0,3) |
| 18.31 | 4.8445 | 4.2 | (1,0,-1,-1) |
| 19.59 | 4.5317 | 4.1 | (1,1,-2,2) |
| 20.57 | 4.3188 | 4.9 | (1,0,-1,2) |
| 21.00 | 4.2311 | 2.7 | (1,1,-2,-2) |
| 21.25 | 4.1813 | 8.4 | (1,0,-1,-2) |
| 24.05 | 3.7006 | 1.2 | (0,0,0,4) |
| 24.47 | 3.6384 | 2.7 | (1,0,-1,3) |
| 25.26 | 3.5252 | 2.5 | (1,1,-2,-3) |
| 28.20 | 3.1642 | 1.1 | (1,1,-2,4) |
| 28.96 | 3.0832 | 14.1 | (2,1,-3,0) |
| 29.16 | 3.0630 | 42.8 | (1,0,-1,4) |
| 30.20 | 2.9591 | 19.8 | (1,1,-2,-4) |
| 30.25 | 2.9543 | 6.5 | (1,-1,0,0) |
| 33.17 | 2.7011 | 61.9 | (2,2,-4,1) |
| 33.31 | 2.6899 | 68.4 | (2,1,-3,3) |
| 33.43 | 2.6806 | 30.8 | (1,1,-2,5) |
| 34.36 | 2.6103 | 1.5 | (1,0,-1,5) |
| 34.41 | 2.6066 | 1.7 | (2,2,-4,2) |
Energy Properties
Formation Energy/atom
-2.30247
eV/atom
Energy/atom
-7.98052
eV/atom
Energy above Hull
0.0345
eV/atom
Uncorrected Energy
-7.1114
eV/atom
Volume/atom
11.32
ų
c/a Ratio
2.3989
Electronic Properties
Metallic
Metal
Band Gap
0
eV
Direct Gap
No
CBM
N/A
eV
Magnetic Properties
Magnetic
Yes
Total Mag. Moment
48.0014
μB
Mag. Ordering
FM
Mag. Sites
12
Magnetization/Volume
0.100970
μB/ų
Elastic Properties
Elastic data not available
Feature Analysis
Composition Overview
Element Composition (atomic fraction)
Composition Info
Major / Matrix Element
O · 0.571
Element Family
Metalloid-Nonmetal
Solute Fraction
0.429
Interstitial Fraction
0.000
High-Entropy Alloy Features
Composite Radar (normalized)
Element-Class Share
Mix Entropy ΔS/R
0.9557
HEA criterion (>1.0 = high entropy)
Mix Entropy ΔS
7.9457
J/mol·K
Ω Parameter
2.4219
Ω > 1.1 favors solid solution
Atomic Size Mismatch δr
42.729%
δr < 6.6% favors single-phase solid solution
Electronegativity Diff Δχ
0.9777
smaller = more stable mixing
VEC
4.571
valence electron concentration, affects phase stability
Mix Enthalpy ΔH_mix
1.959
kJ/mol; negative = exothermic mixing
Entropy Norm
0.8699
SS Former
0
Phase Tendency
IM
Traditional Material Features
ROM Blended-Feature Radar
Rating & Classification
Tier
B
Score
0.539
Family
O-rich Multi-Component
Matrix Element
O · 0.571
Related Tasks
Citation & References
Materials Project Page
https://materialsproject.org/materials/mp-1041097
Reference Citation
The crystal structure and related material properties of MgMn2O4 were obtained from the Materials Project database (MP-ID: mp-1041097, database version v2026.04.13).
Literature Citation
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
3D Crystal Structure Rendering
Loading 3D structure…
Style: Ball & Stick
|
Drag to rotate · Scroll to zoom · Right-click to pan
Raw CIF Data
# generated using pymatgen
data_MgMn2O4
_symmetry_space_group_name_H-M 'P 1'
_cell_length_a 6.18655644
_cell_length_b 6.18655644
_cell_length_c 14.84078394
_cell_angle_alpha 86.37987683
_cell_angle_beta 86.37987683
_cell_angle_gamma 57.04825879
_symmetry_Int_Tables_number 1
_chemical_formula_structural MgMn2O4
_chemical_formula_sum 'Mg6 Mn12 O24'
_cell_volume 475.40000282
_cell_formula_units_Z 6
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
Mg Mg0 1 0.16326500 0.16326500 0.95260300 1.0
Mg Mg1 1 0.50658600 0.50658600 0.61917000 1.0
Mg Mg2 1 0.84045200 0.84045200 0.66502500 1.0
Mg Mg3 1 0.83107400 0.83107400 0.29045500 1.0
Mg Mg4 1 0.49603900 0.49603900 0.99922900 1.0
Mg Mg5 1 0.50296000 0.50296000 0.37722700 1.0
Mn Mn6 1 0.66750400 0.66750400 0.83371800 1.0
Mn Mn7 1 0.66606400 0.17041400 0.83314800 1.0
Mn Mn8 1 0.00452100 0.00452100 0.50029300 1.0
Mn Mn9 1 0.17041400 0.66606400 0.83314800 1.0
Mn Mn10 1 0.00606400 0.50962500 0.50153500 1.0
Mn Mn11 1 0.16696500 0.16696500 0.33403600 1.0
Mn Mn12 1 0.17140800 0.17140800 0.71282800 1.0
Mn Mn13 1 0.33049700 0.33049700 0.16804500 1.0
Mn Mn14 1 0.50962500 0.00606400 0.50153500 1.0
Mn Mn15 1 0.32624500 0.83053400 0.16529600 1.0
Mn Mn16 1 0.83053400 0.32624500 0.16529600 1.0
Mn Mn17 1 0.83075300 0.83075300 0.04707700 1.0
O O18 1 0.34821200 0.34821200 0.90977200 1.0
O O19 1 0.49498500 0.49498500 0.75684800 1.0
O O20 1 0.34594500 0.80644700 0.90609000 1.0
O O21 1 0.80644700 0.34594500 0.90609000 1.0
O O22 1 0.68880300 0.68880300 0.58048400 1.0
O O23 1 0.53557300 0.00065600 0.76335600 1.0
O O24 1 0.82859200 0.82859200 0.42550900 1.0
O O25 1 0.00065600 0.53557300 0.76335600 1.0
O O26 1 0.84334700 0.84334700 0.90894200 1.0
O O27 1 0.69353400 0.15231000 0.57663500 1.0
O O28 1 0.15231000 0.69353400 0.57663500 1.0
O O29 1 0.98508200 0.98508200 0.75775100 1.0
O O30 1 0.00994400 0.00994400 0.24227000 1.0
O O31 1 0.86515500 0.31548500 0.41786700 1.0
O O32 1 0.31548500 0.86515500 0.41786700 1.0
O O33 1 0.15446900 0.15446900 0.08980400 1.0
O O34 1 0.18000300 0.18000300 0.57429900 1.0
O O35 1 0.01602500 0.46912000 0.24748200 1.0
O O36 1 0.46912000 0.01602500 0.24748200 1.0
O O37 1 0.32417300 0.32417300 0.42313400 1.0
O O38 1 0.18862400 0.64239800 0.09063800 1.0
O O39 1 0.64239800 0.18862400 0.09063800 1.0
O O40 1 0.50710100 0.50710100 0.24103900 1.0
O O41 1 0.64514100 0.64514100 0.08723600 1.0
