Mg14MnFe

High-Entropy Materials HEA Traditional Materials TRA

MP-ID: mp-1028160 · Space group: Amm2 (#38)

Materials Project API

Basic Information

Formula

Mg14MnFe

MP-ID

mp-1028160

Elements

Sites

Density

2.2167

g/cm³

Volume

337.88

Å³

Cell a

6.3040

Cell b

6.2499

Cell c

9.8744

α Angle

90.00

β Angle

90.00

γ Angle

119.72

Space Group

Amm2

Point Group

mm2

Crystal System

Orthorhombic

Bravais Lattice

Stability

Packing Fraction

X-ray Diffraction

Diffraction Pattern

Target / Radiation

X-axis: 2θ (°); Y-axis: relative intensity; Cu Kα ; λ=1.5418 Å

Diffraction Peaks (Top 24)

2θ	d (Å)	I	hkl
8.96	9.8744	29.1	(0,0,1)
16.19	5.4750	7.3	(1,0,0)
17.97	4.9372	4.5	(0,0,2)
18.53	4.7882	8.8	(1,0,1)
24.27	3.6665	2.9	(1,0,2)
28.56	3.1250	1.3	(1,-2,0)
29.99	2.9793	1.9	(1,-2,1)
31.72	2.8209	1.5	(1,0,3)
32.71	2.7375	13.0	(2,0,0)
33.00	2.7140	13.2	(2,-2,0)
33.00	2.7140	13.2	(0,2,0)
33.95	2.6405	1.6	(1,-2,2)
33.98	2.6380	1.4	(2,0,1)
34.27	2.6169	1.3	(2,-2,1)
34.27	2.6169	1.3	(0,2,1)
36.39	2.4686	36.1	(0,0,4)
37.57	2.3941	51.5	(2,0,2)
37.83	2.3783	100.0	(2,-2,2)
39.77	2.2663	1.8	(1,-2,3)
40.07	2.2504	1.3	(1,0,4)
42.97	2.1047	1.7	(2,0,3)
43.20	2.0940	3.4	(2,-2,3)
44.97	2.0158	1.6	(3,-2,1)
45.95	1.9749	1.5	(0,0,5)

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Energy Properties

Formation Energy/atom

0.14552

eV/atom

Energy/atom

-2.38314

eV/atom

Energy above Hull

0.1455

eV/atom

Uncorrected Energy

-2.3831

eV/atom

Volume/atom

21.12

Å³

c/a Ratio

1.5664

Electronic Properties

Metallic

Metal

Band Gap

Direct Gap

CBM

N/A

Magnetic Properties

Magnetic

Yes

Total Mag. Moment

6.1390

μB

Mag. Ordering

Mag. Sites

Magnetization/Volume

0.018170

μB/Å³

Elastic Properties

Elastic data not available

Feature Analysis

Composition Overview

Element Composition (atomic fraction)

Composition Info

Major / Matrix Element

Mg · 0.875

Element Family

Alkali-AlkEarth

Solute Fraction

0.125

Interstitial Fraction

0.000

High-Entropy Alloy Features

Composite Radar (normalized)

Element-Class Share

Mix Entropy ΔS/R

0.4634

HEA criterion (>1.0 = high entropy)

Mix Entropy ΔS

3.8528

J/mol·K

Ω Parameter

1.1181

Ω > 1.1 favors solid solution

Atomic Size Mismatch δr

7.111%

δr < 6.6% favors single-phase solid solution

Electronegativity Diff Δχ

0.1351

smaller = more stable mixing

VEC

2.688

valence electron concentration, affects phase stability

Mix Enthalpy ΔH_mix

3.500

kJ/mol; negative = exothermic mixing

Entropy Norm

0.4218

SS Former

Phase Tendency

Traditional Material Features

ROM Blended-Feature Radar

Rating & Classification

Tier

Score

0.725

Family

Mg-based Alloy

Matrix Element

Mg · 0.875

Related Tasks

Related computation task IDs (1)

aaacgmyq

Citation & References

Materials Project Page

https://materialsproject.org/materials/mp-1028160

Reference Citation

The crystal structure and related material properties of Mg14MnFe were obtained from the Materials Project database (MP-ID: mp-1028160, 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

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Raw CIF Data

# generated using pymatgen
data_Mg14MnFe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.30399938
_cell_length_b   6.24991866
_cell_length_c   9.87440558
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.71662438
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg14MnFe
_chemical_formula_sum   'Mg14 Mn1 Fe1'
_cell_volume   337.88208945
_cell_formula_units_Z   1
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  0.16915457  0.33457678  0.62500000  1.0
  Mg  Mg1  1  0.16787254  0.83393577  0.62500000  1.0
  Mg  Mg2  1  0.66847432  0.33278761  0.12500000  1.0
  Mg  Mg3  1  0.66481793  0.33292387  0.62500000  1.0
  Mg  Mg4  1  0.66847432  0.83568572  0.12500000  1.0
  Mg  Mg5  1  0.66481793  0.83189306  0.62500000  1.0
  Mg  Mg6  1  0.32397499  0.15954959  0.35856971  1.0
  Mg  Mg7  1  0.32397499  0.15954959  0.89143029  1.0
  Mg  Mg8  1  0.32397499  0.66442640  0.35856971  1.0
  Mg  Mg9  1  0.32397499  0.66442640  0.89143029  1.0
  Mg  Mg10  1  0.84212925  0.17106512  0.37074454  1.0
  Mg  Mg11  1  0.84212925  0.17106512  0.87925546  1.0
  Mg  Mg12  1  0.84457897  0.67228998  0.36706863  1.0
  Mg  Mg13  1  0.84457897  0.67228998  0.88293137  1.0
  Mn  Mn14  1  0.16524775  0.33262337  0.12500000  1.0
  Fe  Fe15  1  0.16182423  0.83091162  0.12500000  1.0

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